A0A096NFJ8_PAPAN Loading...

Calcium-binding protein 4

Involved in normal synaptic function through regulation of Ca(2+) influx and neurotransmitter release in photoreceptor synaptic terminals and in auditory transmission. Modulator of CACNA1D and CACNA1F, suppressing the calcium-dependent inactivation and shifting the activation range to more hyperpolarized voltages.

AlphaFold DB (A0A2K5YD47), UniProt , Accession A0A096NFJ8, Species PAPAN (Papio anubis, Olive baboon), Gene CABP4, Length 275 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.3Very low44.6Very low255 Ų255154 Ų154100%1.25686%0.855SS**  0149.10-73.7172.116800107.9
2A44.4Very low45.4Very low100 Ų100151.5 Ų151.583%0.82685%0.851SS**  trans-146.6133.4-178.900000110.8
3T50Low45.5Very low142 Ų142151.8 Ų151.887%0.87185%0.85SS**  trans-160.2137167.229.60000105.2
4E44.4Very low46.2Very low154 Ų154149.7 Ų149.772%0.7285%0.846SS**  cis110.692.620.7-173.8107.9110.500112.4
5Q45.3Very low45.9Very low160 Ų160145.5 Ų145.575%0.74884%0.837SS**  trans57.7109.3139.6-55-173.25400123.9
6A46.8Very low45.7Very low88 Ų88145.7 Ų145.773%0.72784%0.842SS**  84.9153.610900000124
7R40.8Very low45.6Very low255 Ų255141.4 Ų141.496%0.96284%0.836SS**  trans67.8146.7174.2-65.6174.4159.3176.1-7.2115.6
8G37.9Very low46.1Very low70 Ų70140.4 Ų140.472%0.72283%0.834SS**  cis-157-167.1-6.900000108.4
9Q47.9Very low45.9Very low199 Ų199143.9 Ų143.993%0.9384%0.841SS**  cis-148.3166.76.8-55.8177.241.200109.1
10H43.3Very low46.4Very low202 Ų202146.8 Ų146.894%0.93584%0.843SS**  trans-135133.4170.1-156.861.2000107.7
11G44Very low46.9Very low69 Ų69144.9 Ų144.971%0.71184%0.836SS**  trans-137.5133.5-170.700000111.9
12P54.9Low47.3Very low124 Ų124138.9 Ų138.981%0.80582%0.816SS**  trans-97.9160.3-174.237.8-35.7000114.4
13D46.3Very low47.3Very low156 Ų156139.3 Ų139.383%0.83482%0.819SS**  trans-56.6159.4161.2-64.6-89.3000112.7
14P54.9Low46.7Very low122 Ų122135.8 Ų135.879%0.79281%0.812SS**  -150.7161106.739.2-23.5000118.1
15A41.5Very low46.5Very low86 Ų86135 Ų13571%0.71182%0.817SS**  trans86.8100.6140.100000123.2
16T43.1Very low46.3Very low149 Ų149133.9 Ų133.991%0.91482%0.821SS**  63.7124.8111-47.10000122.3
17G44Very low46.2Very low72 Ų72136 Ų13674%0.74283%0.825SS**  trans153.5123.514800000116.7
18P54.9Low46.6Very low125 Ų125129.9 Ų129.981%0.81282%0.818SS**  trans-112.9156.8-175.939.7-32.3000115.5
19Q42.2Very low46.7Very low207 Ų207135.2 Ų135.297%0.96782%0.821SS**  trans-138.8160.2158.4-72.4-160.4-4.800112.5
20K55.6Low46.2Very low201 Ų201130.9 Ų130.987%0.87481%0.813SS**PPolyproline II helixtrans-101.9163-168-115.8-159.2174.2-175.60112.9
21P56.8Low45.8Very low106 Ų106127.5 Ų127.569%0.68880%0.802SS**PPolyproline II helixtrans-90.3163.1173.837.6-33.9000113.3
22P55.1Low45.4Very low129 Ų129128.4 Ų128.484%0.83880%0.802SS**PPolyproline II helixtrans-79.2165.2163.534.9-34.5000112.1
23A43.8Very low44.3Very low109 Ų109131.9 Ų131.990%0.90181%0.808SS**  trans-143.3158-179.200000112.7
24G37.5Very low43.9Very low69 Ų69132.7 Ų132.771%0.71181%0.807SS**  trans161.795.6177.400000108.9
25V40.5Very low44.4Very low136 Ų136131.5 Ų131.582%0.82480%0.799SS**  68.397.661.5-1750000112.7
26V41.3Very low45.4Very low137 Ų137132 Ų13283%0.8380%0.795SS**  -166.3148.6117.3-91.50000110.8
27T44Very low44.8Very low134 Ų134132.1 Ų132.182%0.82279%0.789SS**  trans-128162.4160.1640000107.1
28P49.9Very low44.4Very low125 Ų125133.7 Ų133.781%0.81279%0.785SS**  -156.8-17983.441.8-20.8000117.7
29K40.2Very low43.4Very low182 Ų182138.6 Ų138.679%0.79179%0.787SS**  trans-29.1150.7167.9-60.7175.7160.3-158.70121.6
30S37.4Very low43.1Very low108 Ų108138.9 Ų138.976%0.75579%0.785SS**  -158.2140.4117.753.60000107.8
31D33.2Very low42.1Very low132 Ų132140.6 Ų140.671%0.70679%0.786SS**  61.9130.957.6-60.5-75.3000111.8
32A37.2Very low41.1Very low87 Ų87140.8 Ų140.872%0.71979%0.79SS**  cis-166.3-158.8-9.500000110.2
33E31.8Very low40.3Very low197 Ų197143.5 Ų143.592%0.92179%0.789SS**  trans76107.1161.5-65.6-175.48200122.3
34E37.6Very low40Very low173 Ų173148.3 Ų148.381%0.80879%0.789SS**  trans-93.5176.1134.7-126.3-154.3133.100108.2
35P65.8Low39.9Very low98 Ų98150.4 Ų150.464%0.63678%0.78SS**  cis-122.5-109-14.625.8-0.9000110.3
36P60.7Low39.8Very low96 Ų96154.5 Ų154.562%0.62378%0.781SS**  -126.8-163.6-50.328.1-5.2000114.1
37L32Very low39.3Very low151 Ų151151.1 Ų151.179%0.79177%0.773SS**  trans83.9139.7161.9-46-177.8000117.1
38T34.5Very low38.9Very low106 Ų106152.7 Ų152.765%0.6578%0.776SS**  cis-161.1147.7-9.316.90000113.9
39R35.1Very low38.1Very low228 Ų228158.4 Ų158.486%0.8678%0.781SS**  trans43.4126.8141.6-63.1167.9162.2-178.3-4.9120.9
40K35.2Very low37.5Very low212 Ų212153.1 Ų153.192%0.92278%0.779SS**  -173.8155.4104.9-101.3161.8-172.91720115.8
41R34.6Very low37.4Very low237 Ų237153 Ų15389%0.89478%0.778SS**  trans-72.2155.5-176.2-56.8161.1158.9-170.5-6.3115
42S36.3Very low37.5Very low110 Ų110157 Ų15777%0.76978%0.783SS**  161.3120.2108-67.10000110.4
43K38.5Very low37.4Very low187 Ų187161.8 Ų161.881%0.81379%0.788SS**  60.9100.167.7-169175.8-177.7172.30115.6
44K37.2Very low37.5Very low210 Ų210162.6 Ų162.691%0.91378%0.782SS**  trans-149.3167.8141.5-154.6166.2179.1-176.50111
45E35.7Very low37.2Very low113 Ų113160.4 Ų160.453%0.52878%0.781SS.*  trans-151.2160.7-159.2-174.8-158.4117.400109.2
46R38.4Very low35.5Very low222 Ų222159.2 Ų159.284%0.83879%0.787SS**  trans82.7148.5169.6-49178.4-175.3-141.7-18.1116.6
47G30.7Very low34.3Very low65 Ų65159.8 Ų159.867%0.6779%0.793SS**  cis-170.5147.5-0.500000111.5
48L34.2Very low34.3Very low168 Ų168158.2 Ų158.288%0.8880%0.795SS**  72.3121.684.8-94.2173.8000116.9
49R33.5Very low34.1Very low244 Ų244156.2 Ų156.292%0.92180%0.795SS**  trans74.3142.8171.6-58.4176.1161.9-140.1-1.9117
50G28.7Very low33.9Very low72 Ų72153.3 Ų153.374%0.74279%0.791SS**  cis136.9169.2-16.300000116.6
51S34.7Very low33.9Very low104 Ų104150.5 Ų150.573%0.72778%0.781SS**  trans88.1110.6161.8-64.40000123
52R35.4Very low33.9Very low216 Ų216144.2 Ų144.282%0.81577%0.773SS**  80.4126116.8-70.6175.7168-175.5-2.8123.3
53K34.3Very low33.5Very low188 Ų188142.4 Ų142.482%0.81777%0.772SS**  trans70.1157.4138.9-67.2-171.8172.2-168.80116.5
54R35.1Very low34.4Very low214 Ų214139.1 Ų139.181%0.80877%0.77SS**  cis-152.4159.933.6-58171.267.8156.52113.8
55T31.3Very low34.1Very low128 Ų128138.2 Ų138.279%0.78577%0.769SS**  trans43.4139.1141.2540000120
56G30Very low34Very low73 Ų73137.2 Ų137.275%0.75378%0.78SS**  cis146.7179.326.900000107.2
57S34.8Very low34.3Very low108 Ų108133 Ų13376%0.75578%0.781SS**  cis-169.9148.9-3.453.20000110.1
58S31.8Very low34.4Very low118 Ų118133.7 Ų133.783%0.82579%0.788SS**  trans63.1148.6157.8-47.60000118.9
59G30.8Very low34.3Very low63 Ų63131.4 Ų131.465%0.64979%0.787SS**  cis166.8165.8-7.600000112
60E32Very low34.1Very low168 Ų168124.5 Ų124.579%0.78578%0.776SS**  trans62.4144.4145.3-70.8173.198.900120.3
61Q35Very low34.3Very low152 Ų152128.6 Ų128.671%0.7178%0.781SS**  cis-166.7168.2-6.7-135.6172.854.600112
62S33.6Very low34.2Very low105 Ų105130.6 Ų130.673%0.73478%0.783SS**  trans75.8141.6148.4-59.20000123
63G28.9Very low35.4Very low72 Ų72125.2 Ų125.274%0.74278%0.776SS**  trans-110-139.8162.600000110.9
64P56.6Low36.2Very low118 Ų118120.9 Ų120.977%0.76677%0.767SS**  cis-142.4-160.33.642.3-21.1000115.7
65E30.1Very low36.2Very low191 Ų191121.3 Ų121.389%0.89377%0.769SS**  trans86162.5157.2-75.3-174.797.500122.8
66A34.5Very low36.2Very low92 Ų92120.7 Ų120.776%0.7677%0.765SS**  trans-135.3-149-166.200000109.8
67P45.2Very low36.3Very low133 Ų133120.4 Ų120.486%0.86476%0.762SS**  cis-133.1-170.7-0.843.8-25.6000115.1
68G31.3Very low36.2Very low80 Ų80125 Ų12583%0.82577%0.772SS**  trans168.995.7166.600000120.6
69S32.1Very low36Very low120 Ų120122.6 Ų122.684%0.83977%0.766SS**  trans-30.3135172.9-55.60000124.4
70S31.1Very low37.1Very low100 Ų100125.8 Ų125.870%0.69978%0.775SS**  53.6123.7115.7-156.30000123.9
71N33Very low37.2Very low157 Ų157124.3 Ų124.384%0.8478%0.777SS**  174.5165112.9-90.1-6.5000115.2
72N30.6Very low37Very low147 Ų147120.8 Ų120.879%0.78678%0.781SS**  trans-163.8173.9-175.7-154.316.7000108.6
73P61.1Low36.9Very low102 Ų102120.4 Ų120.466%0.66278%0.784SS**  cis-108.6-102.5-24.315.910.5000110.5
74P52.6Low38.4Very low97 Ų97122.7 Ų122.763%0.6379%0.786SS**  cis-139.1162-3740.6-22.8000118.6
75R34.5Very low38.1Very low223 Ų223122.8 Ų122.884%0.84279%0.787SS**  trans69.3157.8151.1-72.9175.5154.4-104.6-1.2118.8
76T31.9Very low38.2Very low115 Ų115118.1 Ų118.171%0.70678%0.781SS**  cis-161152.7-57.40000113.1
77G31.3Very low38.4Very low67 Ų67119.4 Ų119.469%0.69179%0.785SS**  trans73.4168.215000000118.5
78E31.6Very low38.4Very low205 Ų205119.3 Ų119.396%0.95878%0.784SS**  cis-161.3168.3-16.6-110.5172.612100108.5
79G28.6Very low38.3Very low68 Ų68118.8 Ų118.870%0.70178%0.779SS**  trans-119-155.1176.600000112.5
80P53.8Low38.8Very low129 Ų129119.7 Ų119.784%0.83878%0.781SS**  cis-107.6-137.6-13.916.78.9000110.8
81V33.3Very low38.8Very low138 Ų138119.8 Ų119.884%0.83679%0.788SS**  cis-155.816911.5-74.90000111.3
82G31.2Very low39Very low77 Ų77118.6 Ų118.679%0.79479%0.792SS**  trans139.5137.2156.800000116.8
83A31.9Very low39.3Very low97 Ų97116.1 Ų116.180%0.80279%0.786SS**  trans-171178.9-179.600000111.9
84P59.4Low38.3Very low120 Ų120122 Ų12278%0.77980%0.796SS**  cis-106-118.9-27.542-27.7000107.1
85P51.7Low37.6Very low121 Ų121126 Ų12679%0.78681%0.805SS**  cis-96.7-159.6-21.644.6-35.3000110.6
86A31.2Very low37.8Very low93 Ų93119.4 Ų119.477%0.76979%0.794SS**  cis-144.2169.1-1.100000111.4
87S38.4Very low38.2Very low119 Ų119122.8 Ų122.883%0.83280%0.801SS**  trans-112.5177.4-175.9-54.80000110.9
88P45.2Very low38.6Very low131 Ų131131.1 Ų131.185%0.85181%0.812SS**  cis-141.1174.41243.5-25000118.2
89G29.9Very low39.2Very low69 Ų69129.8 Ų129.871%0.71181%0.805SS**  trans-153.2132.4159.600000110.1
90P42.1Very low39.7Very low138 Ų138137.1 Ų137.190%0.89681%0.812SS**  trans-93.9135.5-17234.4-33.2000113.7
91A31.7Very low39.3Very low102 Ų102135 Ų13584%0.84380%0.798SS**  trans-148.1124.4161.400000109.6
92S36.8Very low39.8Very low132 Ų132133.7 Ų133.792%0.92379%0.786SS**  trans-71.7147.5-176.1-65.10000112.8
93S36.3Very low41Very low95 Ų95133.8 Ų133.866%0.66477%0.774SS**  trans-105.3125.7176.4-174.60000110.8
94R41.4Very low41.7Very low227 Ų227137.7 Ų137.786%0.85777%0.768SS**  trans71.6156.1167.7-60.2158.2-171.7-159.1-1.6113.5
95Q37.2Very low41.1Very low179 Ų179136.5 Ų136.584%0.83675%0.752SS**  cis-141.9148.322.2-149.6167.2-15.100113.9
96S38.4Very low41Very low85 Ų85133.5 Ų133.559%0.59473%0.73SS**  trans-5.9131.5164.556.10000121.1
97H40.1Very low41.9Very low186 Ų186131.3 Ų131.386%0.86171%0.712SS**  -159.463.6117-97.9-68.7000110.7
98R41.3Very low42.3Very low243 Ų243126.7 Ų126.792%0.91768%0.681SS**PPolyproline II helixtrans-81.5123.1160.3-115.3-177.7179.1174.7-2107.2R100R98-R100 PolarHBondContact O-N 2.83Å
99H43.5Very low42.6Very low177 Ų177123.8 Ų123.882%0.81966%0.656SS**PPolyproline II helixtrans-56.1123.2159.6-82.7-105.9000107.5P101H99-P101 WeakPolarHBondContact O-CD 3.46Å
100R40.1Very low44Very low222 Ų222129 Ų12984%0.83865%0.654SS**PPolyproline II helixtrans-76.4119.4154.5-91.5-177.9149.5-162.2-9.9105.7R98R98-R100 PolarHBondContact O-N 2.83Å
101P44.9Very low44.5Very low83 Ų83124.2 Ų124.254%0.53962%0.622SS.*PPolyproline II helixtrans-58.1145.2153.628.8-32.9000107.6H99 S103H99-P101 WeakPolarHBondContact O-CD 3.46Å; P101-S103 PolarHBondContact O-N 2.74Å; P101-S103 VanDerWaalsContact O-N 3.09Å
102D43.6Very low45.6Very low111 Ų111120.3 Ų120.359%0.59459%0.586SS**PPolyproline II helixtrans-63.1118.4177.7-167.8-32.3000108.4R104 H105 D106D102-R104 PolarHBondContact O-N 3.4Å; D102-R104 VanDerWaalsContact O-N 3.12Å; D102-R104 PolarHBondContact OD1-N 2.66Å; D102-R104 VanDerWaalsContact OD1-N 3.13Å; D102-H105 HydrophobicContact CB-CB 4Å; D102-H105 WeakPolarHBondContact O-CB 3.42Å; D102-H105 PolarHBondContact O-N 3.02Å; D102-H105 VanDerWaalsContact O-N 3.08Å; D102-D106 PolarHBondContact O-N 3.02Å
103S55.6Low46.7Very low79 Ų79114.9 Ų114.955%0.55255%0.55SS**THydrogen-bonded Turntrans-72.8-5.6-169.2-47.70000113.1P101P101-S103 PolarHBondContact O-N 2.74Å; P101-S103 VanDerWaalsContact O-N 3.09Å
104R48Very low47.8Very low179 Ų179113.3 Ų113.368%0.67554%0.538SS*.THydrogen-bonded Turntrans-89.1-42.8166.1-71.3-178.7164.4-173.9-11.3112.2D102 D106 A107 A108D102-R104 PolarHBondContact O-N 3.4Å; D102-R104 VanDerWaalsContact O-N 3.12Å; D102-R104 PolarHBondContact OD1-N 2.66Å; D102-R104 VanDerWaalsContact OD1-N 3.13Å; R104-D106 PolarHBondContact O-N 2.66Å; R104-A107 WeakPolarHBondContact O-CA 3.48Å; R104-A107 WeakPolarHBondContact O-CB 3.26Å; R104-A107 PolarHBondContact O-N 3.1Å; R104-A108 PolarHBondContact O-N 3.25Å
105H45.2Very low48.5Very low95 Ų95102.7 Ų102.744%0.4450%0.498SS..Hα-helixtrans-59.7-38.8174.6-160.4-50.3000111.4D102 A107 Q109D102-H105 HydrophobicContact CB-CB 4Å; D102-H105 WeakPolarHBondContact O-CB 3.42Å; D102-H105 PolarHBondContact O-N 3.02Å; D102-H105 VanDerWaalsContact O-N 3.08Å; H105-A107 VanDerWaalsContact C-N 3.28Å; H105-A107 PolarHBondContact O-N 2.94Å; H105-Q109 VanDerWaalsContact O-CB 3.24Å; H105-Q109 WeakPolarHBondContact O-CB 3.13Å; H105-Q109 PolarHBondContact O-N 3.19Å
106D50.3Low49.4Very low58 Ų5895.8 Ų95.831%0.3147%0.467SS..Hα-helixtrans-66.8-25.5174.8-153.2-83.6000112.8D102 R104 R110D102-D106 PolarHBondContact O-N 3.02Å; R104-D106 PolarHBondContact O-N 2.66Å; D106-R110 WeakPolarHBondContact O-CD 3.4Å; D106-R110 WeakPolarHBondContact O-CG 3.44Å; D106-R110 PolarHBondContact O-N 2.7Å; D106-R110 PolarHBondContact O-NE 3.16Å; D106-R110 IonicContact OD1-CZ 2.83Å; D106-R110 IonicContact OD1-NE 3.42Å; D106-R110 PolarHBondContact OD1-NE 2.78Å; D106-R110 IonicContact OD1-NH2 3.18Å; D106-R110 PolarHBondContact OD1-NH2 3.17Å
107A49.8Very low50.3Low47 Ų4795.9 Ų95.939%0.38846%0.461SS..Hα-helixtrans-78.3-53.2175.900000111.1R104 H105 Q109 R110 T111R104-A107 WeakPolarHBondContact O-CA 3.48Å; R104-A107 WeakPolarHBondContact O-CB 3.26Å; R104-A107 PolarHBondContact O-N 3.1Å; H105-A107 VanDerWaalsContact C-N 3.28Å; H105-A107 PolarHBondContact O-N 2.94Å; A107-Q109 PolarHBondContact O-N 2.83Å; A107-R110 WeakPolarHBondContact O-CB 3.16Å; A107-R110 PolarHBondContact O-N 3.42Å; A107-T111 PolarHBondContact O-N 2.97Å; A107-T111 PolarHBondContact O-OG1 2.62Å
108A47.2Very low51.1Low22 Ų2293.6 Ų93.618%0.18244%0.444CS..Hα-helixtrans-52.8-43.4172.100000111.5R104 R110 T111 Y112R104-A108 PolarHBondContact O-N 3.25Å; A108-R110 PolarHBondContact O-N 3.15Å; A108-T111 PolarHBondContact O-N 2.94Å; A108-Y112 HydrophobicContact CB-CD2 3.87Å; A108-Y112 HydrophobicContact CB-CE2 3.82Å; A108-Y112 WeakPolarHBondContact O-CB 3.33Å; A108-Y112 WeakPolarHBondContact O-CD2 3.45Å; A108-Y112 PolarHBondContact O-N 2.81Å
109Q50.9Low51.8Low71 Ų7182.3 Ų82.333%0.33240%0.403SS..Hα-helixtrans-59.7-30.7176-160.576.762.900113.6H105 A107 G113 H275H105-Q109 VanDerWaalsContact O-CB 3.24Å; H105-Q109 WeakPolarHBondContact O-CB 3.13Å; H105-Q109 PolarHBondContact O-N 3.19Å; A107-Q109 PolarHBondContact O-N 2.83Å; Q109-G113 WeakPolarHBondContact O-CA 3.3Å; Q109-G113 PolarHBondContact O-N 3.13Å; Q109-H275 PolarHBondContact NE2-CE1 3.24Å; Q109-H275 PolarHBondContact NE2-NE2 3.49Å; Q109-H275 PolarHBondContact OE1-CE1 3.04Å; Q109-H275 PolarHBondContact OE1-NE2 2.88Å
110R58.8Low52.2Low177 Ų17775.7 Ų75.767%0.66837%0.372SS*.Hα-helixtrans-83.6-39.7177.1-69.9161.7-168.2-101.3-3112.3D106 A107 A108 P114D106-R110 WeakPolarHBondContact O-CD 3.4Å; D106-R110 WeakPolarHBondContact O-CG 3.44Å; D106-R110 PolarHBondContact O-N 2.7Å; D106-R110 PolarHBondContact O-NE 3.16Å; D106-R110 IonicContact OD1-CZ 2.83Å; D106-R110 IonicContact OD1-NE 3.42Å; D106-R110 PolarHBondContact OD1-NE 2.78Å; D106-R110 IonicContact OD1-NH2 3.18Å; D106-R110 PolarHBondContact OD1-NH2 3.17Å; A107-R110 WeakPolarHBondContact O-CB 3.16Å; A107-R110 PolarHBondContact O-N 3.42Å; A108-R110 PolarHBondContact O-N 3.15Å; R110-P114 WeakPolarHBondContact O-CD 3Å
111T53.5Low52.8Low38 Ų3865.5 Ų65.523%0.23334%0.336CS..Hα-helixtrans-71.7-49.2-178.5-55.50000111A107 A108 L239 L243 M251A107-T111 PolarHBondContact O-N 2.97Å; A107-T111 PolarHBondContact O-OG1 2.62Å; A108-T111 PolarHBondContact O-N 2.94Å; T111-L239 WeakPolarHBondContact O-CD1 3.38Å; T111-L239 WeakPolarHBondContact O-CD2 3.39Å; T111-L243 HydrophobicContact CG2-CD1 3.76Å; T111-L243 HydrophobicContact CG2-CD2 4.22Å; T111-M251 HydrophobicContact CG2-CG 4.15Å; T111-M251 HydrophobicContact CG2-SD 3.56Å; T111-M251 VanDerWaalsContact CG2-SD 3.56Å
112Y55.3Low53.1Low21 Ų2166.6 Ų66.68%0.08233%0.332CS..Hα-helixtrans-84.6-30.4177.9-53.1-65.4000112.5A108 L115 L116 M251 V255 M271A108-Y112 HydrophobicContact CB-CD2 3.87Å; A108-Y112 HydrophobicContact CB-CE2 3.82Å; A108-Y112 WeakPolarHBondContact O-CB 3.33Å; A108-Y112 WeakPolarHBondContact O-CD2 3.45Å; A108-Y112 PolarHBondContact O-N 2.81Å; Y112-L115 CarbonylContact O-C 3.13Å; Y112-L115 WeakPolarHBondContact O-CA 3.42Å; Y112-L115 WeakPolarHBondContact O-CB 3.24Å; Y112-L115 PolarHBondContact O-N 3.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.3Å; Y112-L116 PolarHBondContact O-N 2.9Å; Y112-M251 HydrophobicContact CD1-CG 4.38Å; Y112-M251 HydrophobicContact CD1-SD 4.21Å; Y112-M251 HydrophobicContact CE1-CE 4.48Å; Y112-M251 HydrophobicContact CE1-CG 3.31Å; Y112-M251 HydrophobicContact CE1-SD 3.64Å; Y112-M251 VanDerWaalsContact CZ-CG 3.47Å; Y112-M251 WeakPolarHBondContact OH-CG 3.2Å; Y112-M251 PolarHBondContact OH-O 2.9Å; Y112-V255 WeakPolarHBondContact OH-CG2 3.15Å; Y112-M271 HydrophobicContact CD1-SD 4.02Å; Y112-M271 HydrophobicContact CE1-SD 3.63Å
113G58.9Low53.5Low17 Ų1767.9 Ų67.918%0.17534%0.339CS..Hα-helixtrans-48.2-46.7-170.300000116.6Q109 L115 L116 N117Q109-G113 WeakPolarHBondContact O-CA 3.3Å; Q109-G113 PolarHBondContact O-N 3.13Å; G113-L115 VanDerWaalsContact C-N 3.35Å; G113-L116 PolarHBondContact O-N 2.9Å; G113-N117 WeakPolarHBondContact O-CB 3.35Å; G113-N117 PolarHBondContact O-N 3.5Å
114P59.7Low54Low62 Ų6267.2 Ų67.240%0.40332%0.324SS..Hα-helixtrans-68.1-33.1177.3-1830.3000113R110 N117 R118 L239R110-P114 WeakPolarHBondContact O-CD 3Å; P114-N117 PolarHBondContact O-N 3.02Å; P114-R118 VanDerWaalsContact O-CB 3.24Å; P114-R118 WeakPolarHBondContact O-CB 3.48Å; P114-R118 PolarHBondContact O-N 2.9Å; P114-L239 HydrophobicContact CB-CD2 3.72Å; P114-L239 HydrophobicContact CG-CD2 3.99Å
115L56.2Low54.7Low5 Ų567.1 Ų67.13%0.02633%0.331CS..Hα-helixtrans-71.1-43.1174.9167172.3000109.9Y112 G113 N117 R118 V119 F218 L238 L239Y112-L115 CarbonylContact O-C 3.13Å; Y112-L115 WeakPolarHBondContact O-CA 3.42Å; Y112-L115 WeakPolarHBondContact O-CB 3.24Å; Y112-L115 PolarHBondContact O-N 3.31Å; G113-L115 VanDerWaalsContact C-N 3.35Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 2.98Å; L115-R118 CarbonylContact O-C 3.51Å; L115-R118 PolarHBondContact O-N 2.88Å; L115-R118 VanDerWaalsContact O-N 3.16Å; L115-V119 HydrophobicContact CD2-CG2 4.47Å; L115-V119 WeakPolarHBondContact O-CB 3.31Å; L115-V119 VanDerWaalsContact O-CG2 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.37Å; L115-V119 PolarHBondContact O-N 2.82Å; L115-F218 HydrophobicContact CD1-CE1 3.91Å; L115-F218 HydrophobicContact CD1-CZ 3.7Å; L115-F218 HydrophobicContact CD2-CZ 4.19Å; L115-F218 HydrophobicContact CG-CZ 4.05Å; L115-L238 HydrophobicContact CB-CB 4.24Å; L115-L238 HydrophobicContact CD1-CB 4.42Å; L115-L238 HydrophobicContact CD1-CD1 4.3Å; L115-L238 HydrophobicContact CG-CB 4.15Å; L115-L238 HydrophobicContact CG-CD1 4.26Å; L115-L239 HydrophobicContact CB-CD2 3.42Å; L115-L239 VanDerWaalsContact CB-CD2 3.42Å; L115-L239 HydrophobicContact CB-CG 4.32Å; L115-L239 VanDerWaalsContact N-CD2 3.31Å
116L56Low55.7Low34 Ų3464.4 Ų64.418%0.17832%0.32CS..Hα-helixtrans-61.7-41.2171.9-60.5178.9000111.3Y112 G113 R118 F120 G121 L272Y112-L116 WeakPolarHBondContact O-CG 3.3Å; Y112-L116 PolarHBondContact O-N 2.9Å; G113-L116 PolarHBondContact O-N 2.9Å; L116-R118 VanDerWaalsContact C-N 3.3Å; L116-R118 PolarHBondContact O-N 3.46Å; L116-F120 HydrophobicContact CD2-CD2 4.06Å; L116-F120 HydrophobicContact CD2-CE2 4.14Å; L116-F120 CarbonylContact O-C 3.42Å; L116-F120 VanDerWaalsContact O-CA 3.3Å; L116-F120 WeakPolarHBondContact O-CA 3.33Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.41Å; L116-G121 PolarHBondContact O-N 2.83Å; L116-G121 VanDerWaalsContact O-N 3.15Å; L116-L272 HydrophobicContact CD2-CD2 3.19Å
117N57.8Low56.4Low87 Ų8762.4 Ų62.447%0.46531%0.313SS..Hα-helixtrans-73.3-21.7176.3-162.773.2000113G113 P114 L115 G121G113-N117 WeakPolarHBondContact O-CB 3.35Å; G113-N117 PolarHBondContact O-N 3.5Å; P114-N117 PolarHBondContact O-N 3.02Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 2.98Å; N117-G121 WeakPolarHBondContact O-CA 3.5Å; N117-G121 PolarHBondContact O-N 2.86Å; N117-G121 VanDerWaalsContact O-N 3.16Å
118R57.4Low57Low137 Ų13764.8 Ų64.852%0.51733%0.325SS..Hα-helixtrans-89.3-28.9175.4-171.4167.2-178.3157.50.4113.4P114 L115 L116 R124 A237 L238P114-R118 VanDerWaalsContact O-CB 3.24Å; P114-R118 WeakPolarHBondContact O-CB 3.48Å; P114-R118 PolarHBondContact O-N 2.9Å; L115-R118 CarbonylContact O-C 3.51Å; L115-R118 PolarHBondContact O-N 2.88Å; L115-R118 VanDerWaalsContact O-N 3.16Å; L116-R118 VanDerWaalsContact C-N 3.3Å; L116-R118 PolarHBondContact O-N 3.46Å; R118-R124 WeakPolarHBondContact O-CD 3.45Å; R118-R124 WeakPolarHBondContact O-CG 3.29Å; R118-A237 PolarHBondContact NH1-O 2.99Å; R118-L238 WeakPolarHBondContact CD-O 3.28Å
119V54.7Low57.9Low7 Ų767.8 Ų67.84%0.04234%0.335CS..Hα-helixtrans-91.6-37.8177.6-178.90000110.8L115 R124 A214 L238L115-V119 HydrophobicContact CD2-CG2 4.47Å; L115-V119 WeakPolarHBondContact O-CB 3.31Å; L115-V119 VanDerWaalsContact O-CG2 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.37Å; L115-V119 PolarHBondContact O-N 2.82Å; V119-R124 PolarHBondContact O-NH1 3.19Å; V119-A214 HydrophobicContact CG1-CB 3.55Å; V119-L238 HydrophobicContact CG2-CD2 4.04Å
120F53.2Low58.7Low38 Ų3866.2 Ų66.217%0.16733%0.328CS..SBendtrans-127.22.2-173.1-47.5-66.8000114.4L116 L206 L211 A214 L272L116-F120 HydrophobicContact CD2-CD2 4.06Å; L116-F120 HydrophobicContact CD2-CE2 4.14Å; L116-F120 CarbonylContact O-C 3.42Å; L116-F120 VanDerWaalsContact O-CA 3.3Å; L116-F120 WeakPolarHBondContact O-CA 3.33Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.41Å; F120-L206 HydrophobicContact CB-CD2 4.25Å; F120-L206 HydrophobicContact CD1-CD1 3.84Å; F120-L206 HydrophobicContact CD1-CD2 3.38Å; F120-L206 HydrophobicContact CD1-CG 4.27Å; F120-L206 HydrophobicContact CD2-CD1 4.17Å; F120-L206 HydrophobicContact CE1-CD1 3.96Å; F120-L206 HydrophobicContact CE1-CD2 3.9Å; F120-L206 HydrophobicContact CE2-CD1 4.3Å; F120-L206 HydrophobicContact CG-CD1 3.94Å; F120-L206 HydrophobicContact CG-CD2 3.98Å; F120-L206 HydrophobicContact CZ-CD1 4.19Å; F120-L211 HydrophobicContact CZ-CD2 4.3Å; F120-A214 HydrophobicContact CE1-CB 4.33Å; F120-A214 HydrophobicContact CZ-CB 3.92Å; F120-L272 HydrophobicContact CE2-CD1 3.86Å; F120-L272 HydrophobicContact CE2-CD2 3.8Å; F120-L272 HydrophobicContact CE2-CG 4.48Å; F120-L272 HydrophobicContact CZ-CD1 3.81Å
121G52.4Low59.3Low8 Ų860.7 Ų60.78%0.08231%0.311CS..SBendtrans-82.4159.8-179.900000113.8L116 N117 D123 R124L116-G121 PolarHBondContact O-N 2.83Å; L116-G121 VanDerWaalsContact O-N 3.15Å; N117-G121 WeakPolarHBondContact O-CA 3.5Å; N117-G121 PolarHBondContact O-N 2.86Å; N117-G121 VanDerWaalsContact O-N 3.16Å; G121-D123 PolarHBondContact O-N 2.99Å; G121-R124 PolarHBondContact O-N 3.06Å
122K50.3Low60.2Low105 Ų10564 Ų6446%0.45733%0.327SS..THydrogen-bonded Turntrans-61.8-29.7-170.9-60.3-173.8-178.9-174.40113.5R199 E200K122-R199 WeakPolarHBondContact O-CD 3.45Å; K122-R199 PolarHBondContact O-NH1 3.41Å; K122-E200 IonicContact NZ-OE1 3.51Å; K122-E200 PolarHBondContact NZ-OE1 2.81Å
123D52.8Low61Low138 Ų13865.9 Ų65.974%0.73834%0.337SS*.THydrogen-bonded Turntrans-91.610-172.4-50.4-64.7000115.1G121G121-D123 PolarHBondContact O-N 2.99Å
124R66.6Low61.8Low66 Ų6665.3 Ų65.325%0.24933%0.33CS..PPolyproline II helixtrans-63.9160.5175.8-153.8-178.788-175.812.4111.6R118 V119 G121 E130 R199R118-R124 WeakPolarHBondContact O-CD 3.45Å; R118-R124 WeakPolarHBondContact O-CG 3.29Å; V119-R124 PolarHBondContact O-NH1 3.19Å; G121-R124 PolarHBondContact O-N 3.06Å; R124-E130 IonicContact CZ-OE1 2.76Å; R124-E130 IonicContact CZ-OE2 3.07Å; R124-E130 IonicContact NH1-OE1 3.37Å; R124-E130 IonicContact NH2-OE1 3.73Å; R124-E130 PolarHBondContact NH2-OE1 2.88Å; R124-E130 IonicContact NH2-OE2 2.7Å; R124-E130 PolarHBondContact NH2-OE2 3.48Å; R124-R199 PolarHBondContact O-NH1 2.81Å; R124-R199 PolarHBondContact O-NH2 3.38Å
125E60.9Low62.7Low176 Ų17666.4 Ų66.482%0.82233%0.33SS*.PPolyproline II helixtrans-82153.3157.8-68.3177.7163.100109.5
126L66.3Low63.7Low38 Ų3869 Ų6920%0.19935%0.352CS..PPolyproline II helixtrans-71.6137175.7-70170.5000109.7E130 L131 L134 V191L126-E130 WeakPolarHBondContact CA-OE2 3.49Å; L126-E130 HydrophobicContact CD2-CB 4.26Å; L126-E130 WeakPolarHBondContact CD2-OE2 3.49Å; L126-L131 HydrophobicContact CB-CD1 4.4Å; L126-L131 HydrophobicContact CB-CD2 3.97Å; L126-L131 HydrophobicContact CB-CG 3.88Å; L126-L131 HydrophobicContact CD1-CD2 3.73Å; L126-L131 HydrophobicContact CD1-CG 4.49Å; L126-L134 HydrophobicContact CD1-CD1 3.67Å; L126-L134 HydrophobicContact CD2-CD1 4.39Å; L126-V191 HydrophobicContact CD1-CG1 3.59Å
127G65.1Low64.6Low17 Ų1767.8 Ų67.818%0.17535%0.346CS..PPolyproline II helixtrans-73.7158.7174.300000111.1E129 E130 L131G127-E129 VanDerWaalsContact C-N 3.29Å; G127-E129 PolarHBondContact O-N 3.07Å; G127-E130 PolarHBondContact N-OE2 3.19Å; G127-E130 WeakPolarHBondContact O-CB 3.48Å; G127-E130 PolarHBondContact O-N 3.08Å; G127-L131 PolarHBondContact O-N 3.1Å
128P63.8Low65.5Low96 Ų9664.3 Ų64.362%0.62333%0.327SS*.Hα-helixtrans-60.2-38.3175.525-33.6000112E130 L131 D132P128-E130 VanDerWaalsContact C-N 3.25Å; P128-E130 PolarHBondContact O-N 3.43Å; P128-L131 PolarHBondContact O-N 2.66Å; P128-D132 WeakPolarHBondContact O-CB 3.43Å; P128-D132 VanDerWaalsContact O-CG 3.29Å; P128-D132 PolarHBondContact O-N 2.83Å
129E64.4Low66.6Low85 Ų8563.2 Ų63.240%0.39733%0.328SS..Hα-helixtrans-63.2-29.5175.2-64.2-174.8-16000111.8G127 E133 I213 R216G127-E129 VanDerWaalsContact C-N 3.29Å; G127-E129 PolarHBondContact O-N 3.07Å; E129-E133 VanDerWaalsContact O-CG 3.23Å; E129-E133 WeakPolarHBondContact O-CG 3.43Å; E129-E133 PolarHBondContact O-N 3.07Å; E129-I213 HydrophobicContact CB-CD1 4.36Å; E129-R216 IonicContact OE1-NH1 2.66Å; E129-R216 PolarHBondContact OE1-NH1 3.01Å; E129-R216 IonicContact OE2-CZ 3.4Å; E129-R216 IonicContact OE2-NH1 3.25Å; E129-R216 PolarHBondContact OE2-NH1 2.7Å
130E68.5Low67.8Low38 Ų3869 Ų6918%0.17835%0.354CS..Hα-helixtrans-81.2-33.8175.9-64.5168.8165.100112.6R124 L126 G127 P128 E133 L134R124-E130 IonicContact CZ-OE1 2.76Å; R124-E130 IonicContact CZ-OE2 3.07Å; R124-E130 IonicContact NH1-OE1 3.37Å; R124-E130 IonicContact NH2-OE1 3.73Å; R124-E130 PolarHBondContact NH2-OE1 2.88Å; R124-E130 IonicContact NH2-OE2 2.7Å; R124-E130 PolarHBondContact NH2-OE2 3.48Å; L126-E130 WeakPolarHBondContact CA-OE2 3.49Å; L126-E130 HydrophobicContact CD2-CB 4.26Å; L126-E130 WeakPolarHBondContact CD2-OE2 3.49Å; G127-E130 PolarHBondContact N-OE2 3.19Å; G127-E130 WeakPolarHBondContact O-CB 3.48Å; G127-E130 PolarHBondContact O-N 3.08Å; P128-E130 VanDerWaalsContact C-N 3.25Å; P128-E130 PolarHBondContact O-N 3.43Å; E130-E133 PolarHBondContact O-N 2.8Å; E130-L134 WeakPolarHBondContact O-CB 3.15Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.39Å; E130-L134 PolarHBondContact O-N 3.46Å
131L72.3Confident68.8Low62 Ų6268.1 Ų68.133%0.32535%0.351SS..Hα-helixtrans-70.4-40.8174.7-71.6168.8000111.3L126 G127 P128 E133 L134 Q135 V191L126-L131 HydrophobicContact CB-CD1 4.4Å; L126-L131 HydrophobicContact CB-CD2 3.97Å; L126-L131 HydrophobicContact CB-CG 3.88Å; L126-L131 HydrophobicContact CD1-CD2 3.73Å; L126-L131 HydrophobicContact CD1-CG 4.49Å; G127-L131 PolarHBondContact O-N 3.1Å; P128-L131 PolarHBondContact O-N 2.66Å; L131-E133 VanDerWaalsContact C-N 3.28Å; L131-E133 PolarHBondContact O-N 3.27Å; L131-L134 PolarHBondContact O-N 2.99Å; L131-Q135 VanDerWaalsContact O-CB 3.31Å; L131-Q135 WeakPolarHBondContact O-CB 3.44Å; L131-Q135 PolarHBondContact O-N 3.14Å; L131-V191 HydrophobicContact CD2-CG1 4.2Å; L131-V191 HydrophobicContact CD2-CG2 4.21Å
132D71.8Confident70.1Confident107 Ų10768.4 Ų68.457%0.57235%0.35SS*.Hα-helixtrans-60.2-39.1173-74.4-13.5000110.9P128 A136P128-D132 WeakPolarHBondContact O-CB 3.43Å; P128-D132 VanDerWaalsContact O-CG 3.29Å; P128-D132 PolarHBondContact O-N 2.83Å; D132-A136 WeakPolarHBondContact O-CB 3.41Å; D132-A136 PolarHBondContact O-N 2.93Å
133E73.1Confident71Confident61 Ų6168.3 Ų68.329%0.28536%0.359SS..Hα-helixtrans-73.9-39.8176.8-75.3179.1164.900113.4E129 E130 L131 Q135 A136 A137 R209E129-E133 VanDerWaalsContact O-CG 3.23Å; E129-E133 WeakPolarHBondContact O-CG 3.43Å; E129-E133 PolarHBondContact O-N 3.07Å; E130-E133 PolarHBondContact O-N 2.8Å; L131-E133 VanDerWaalsContact C-N 3.28Å; L131-E133 PolarHBondContact O-N 3.27Å; E133-Q135 VanDerWaalsContact C-N 3.29Å; E133-A136 PolarHBondContact O-N 3.2Å; E133-A137 WeakPolarHBondContact O-CB 3.47Å; E133-A137 PolarHBondContact O-N 3.31Å; E133-R209 WeakPolarHBondContact OE1-CD 3.47Å; E133-R209 IonicContact OE1-CZ 3.15Å; E133-R209 IonicContact OE1-NE 2.7Å; E133-R209 PolarHBondContact OE1-NE 3.38Å; E133-R209 IonicContact OE1-NH1 3.93Å; E133-R209 PolarHBondContact OE1-NH1 3.22Å; E133-R209 IonicContact OE2-CZ 3.99Å; E133-R209 IonicContact OE2-NE 2.66Å; E133-R209 IonicContact OE2-NH1 3.53Å; E133-R209 PolarHBondContact OE2-NH1 3.3Å; E133-R209 IonicContact OE2-NH2 2.83Å; E133-R209 PolarHBondContact OE2-NH2 3.24Å
134L73.8Confident72.1Confident5 Ų567.4 Ų67.43%0.02635%0.354CS..Hα-helixtrans-65.8-33.7172.3-76.2167.8000111.4L126 E130 L131 F138 L161 F187 F190 V191 I194 L198L126-L134 HydrophobicContact CD1-CD1 3.67Å; L126-L134 HydrophobicContact CD2-CD1 4.39Å; E130-L134 WeakPolarHBondContact O-CB 3.15Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.39Å; E130-L134 PolarHBondContact O-N 3.46Å; L131-L134 PolarHBondContact O-N 2.99Å; L134-F138 VanDerWaalsContact O-CB 3.31Å; L134-F138 WeakPolarHBondContact O-CB 3.2Å; L134-F138 PolarHBondContact O-N 3.13Å; L134-L161 HydrophobicContact CD2-CD1 3.95Å; L134-F187 HydrophobicContact CB-CE2 4.47Å; L134-F190 HydrophobicContact CB-CE1 4.1Å; L134-F190 HydrophobicContact CD2-CE1 3.77Å; L134-F190 HydrophobicContact CD2-CZ 4.21Å; L134-F190 WeakPolarHBondContact O-CE1 3.11Å; L134-V191 HydrophobicContact CD1-CG2 4.46Å; L134-I194 HydrophobicContact CD2-CB 4.38Å; L134-I194 HydrophobicContact CD2-CG2 3.66Å; L134-L198 HydrophobicContact CD2-CD1 4.01Å
135Q78.6Confident72.7Confident85 Ų8571 Ų7140%0.39737%0.373SS..Hα-helixtrans-71-44.2172.7-173.9-180-2600111.5L131 E133 A137 F138 E139 F187L131-Q135 VanDerWaalsContact O-CB 3.31Å; L131-Q135 WeakPolarHBondContact O-CB 3.44Å; L131-Q135 PolarHBondContact O-N 3.14Å; E133-Q135 VanDerWaalsContact C-N 3.29Å; Q135-A137 VanDerWaalsContact C-N 3.3Å; Q135-A137 PolarHBondContact O-N 3.16Å; Q135-F138 WeakPolarHBondContact O-CB 3.3Å; Q135-F138 PolarHBondContact O-N 2.91Å; Q135-E139 HydrophobicContact CG-CG 4.48Å; Q135-E139 PolarHBondContact NE2-OE1 2.93Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 2.9Å; Q135-F187 HydrophobicContact CB-CE2 3.87Å; Q135-F187 HydrophobicContact CB-CZ 3.81Å; Q135-F187 HydrophobicContact CG-CE2 4.42Å; Q135-F187 HydrophobicContact CG-CZ 4.46Å
136A77.3Confident73.6Confident59 Ų5965.4 Ų65.449%0.48835%0.349SS..Hα-helixtrans-61-39.7175.800000111.9D132 E133 E140D132-A136 WeakPolarHBondContact O-CB 3.41Å; D132-A136 PolarHBondContact O-N 2.93Å; E133-A136 PolarHBondContact O-N 3.2Å; A136-E140 WeakPolarHBondContact O-CB 3.3Å; A136-E140 PolarHBondContact O-N 3.27Å; A136-E140 VanDerWaalsContact O-N 3.11Å
137A76.1Confident74.2Confident8 Ų865.2 Ų65.27%0.06636%0.356CS..Hα-helixtrans-63.1-47.9169.200000111E133 Q135 E139 E140 F141 L161E133-A137 WeakPolarHBondContact O-CB 3.47Å; E133-A137 PolarHBondContact O-N 3.31Å; Q135-A137 VanDerWaalsContact C-N 3.3Å; Q135-A137 PolarHBondContact O-N 3.16Å; A137-E139 VanDerWaalsContact C-N 3.3Å; A137-E139 PolarHBondContact O-N 3.48Å; A137-E140 WeakPolarHBondContact O-CA 3.28Å; A137-E140 WeakPolarHBondContact O-CB 3.27Å; A137-E140 PolarHBondContact O-N 3.38Å; A137-F141 HydrophobicContact CB-CD2 4.24Å; A137-F141 HydrophobicContact CB-CE2 4.13Å; A137-F141 WeakPolarHBondContact O-CD2 3.3Å; A137-F141 PolarHBondContact O-N 2.86Å; A137-L161 HydrophobicContact CB-CD1 4.47Å; A137-L161 HydrophobicContact CB-CD2 4.1Å; A137-L161 HydrophobicContact CB-CG 4.47Å
138F76.5Confident74.9Confident15 Ų1569.1 Ų69.17%0.06637%0.366CS..Hα-helixtrans-55.9-45.1179.7-169.8-79.5000112.1L134 Q135 E140 F141 D142 I149 F187 F190L134-F138 VanDerWaalsContact O-CB 3.31Å; L134-F138 WeakPolarHBondContact O-CB 3.2Å; L134-F138 PolarHBondContact O-N 3.13Å; Q135-F138 WeakPolarHBondContact O-CB 3.3Å; Q135-F138 PolarHBondContact O-N 2.91Å; F138-E140 VanDerWaalsContact C-N 3.31Å; F138-E140 PolarHBondContact O-N 3.24Å; F138-F141 PolarHBondContact O-N 3.41Å; F138-D142 HydrophobicContact CD1-CB 4.22Å; F138-D142 HydrophobicContact CE1-CB 4.05Å; F138-D142 VanDerWaalsContact O-CB 3.26Å; F138-D142 WeakPolarHBondContact O-CB 3.22Å; F138-D142 PolarHBondContact O-N 3.43Å; F138-I149 HydrophobicContact CB-CD1 4.36Å; F138-I149 HydrophobicContact CD2-CD1 3.39Å; F138-I149 HydrophobicContact CD2-CG1 3.94Å; F138-I149 HydrophobicContact CE2-CB 4.35Å; F138-I149 HydrophobicContact CE2-CD1 3.75Å; F138-I149 HydrophobicContact CE2-CG1 3.78Å; F138-I149 HydrophobicContact CG-CD1 3.9Å; F138-I149 HydrophobicContact CG-CG1 4.46Å; F138-I149 HydrophobicContact CZ-CD1 4.5Å; F138-I149 HydrophobicContact CZ-CG1 4.15Å; F138-F187 HydrophobicContact CB-CD2 3.91Å; F138-F187 HydrophobicContact CB-CE2 4.24Å; F138-F187 HydrophobicContact CD2-CB 4.33Å; F138-F187 AromaticContact CD2-CD2 3.81Å; F138-F187 HydrophobicContact CD2-CD2 3.81Å; F138-F187 HydrophobicContact CE2-CB 4.18Å; F138-F187 HydrophobicContact CE2-CD2 4.48Å; F138-F187 AromaticContact CG-CD2 3.83Å; F138-F187 HydrophobicContact CG-CD2 3.83Å; F138-F187 HydrophobicContact CZ-CB 4.33Å; F138-F190 HydrophobicContact CB-CE1 4.35Å; F138-F190 HydrophobicContact CD2-CB 3.9Å; F138-F190 AromaticContact CD2-CD1 3.83Å; F138-F190 HydrophobicContact CD2-CD1 3.83Å; F138-F190 HydrophobicContact CD2-CD2 4.21Å; F138-F190 HydrophobicContact CD2-CE1 4.37Å; F138-F190 AromaticContact CD2-CG 3.74Å; F138-F190 HydrophobicContact CD2-CG 3.74Å; F138-F190 HydrophobicContact CE2-CB 3.95Å; F138-F190 HydrophobicContact CE2-CG 4.26Å
139E80.8Confident75.5Confident113 Ų11364.6 Ų64.653%0.52834%0.337SS..Hα-helixtrans-68.4-23.1175.9-68.9179.5-160.200113.8Q135 A137Q135-E139 HydrophobicContact CG-CG 4.48Å; Q135-E139 PolarHBondContact NE2-OE1 2.93Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 2.9Å; A137-E139 VanDerWaalsContact C-N 3.3Å; A137-E139 PolarHBondContact O-N 3.48Å
140E78.8Confident76Confident128 Ų12862 Ų6260%0.59833%0.328SS*.Hα-helixtrans-79.7-30.3172.5-174.1172.5-167.600112.5A136 A137 F138A136-E140 WeakPolarHBondContact O-CB 3.3Å; A136-E140 PolarHBondContact O-N 3.27Å; A136-E140 VanDerWaalsContact O-N 3.11Å; A137-E140 WeakPolarHBondContact O-CA 3.28Å; A137-E140 WeakPolarHBondContact O-CB 3.27Å; A137-E140 PolarHBondContact O-N 3.38Å; F138-E140 VanDerWaalsContact C-N 3.31Å; F138-E140 PolarHBondContact O-N 3.24Å
141F75.1Confident76.1Confident21 Ų2163.3 Ų63.39%0.09233%0.334CS..Hα-helixtrans-98.8-27.7-176.7-64.8-62.9000114.6A137 F138 T143 I149 E153 D156 C157 T160A137-F141 HydrophobicContact CB-CD2 4.24Å; A137-F141 HydrophobicContact CB-CE2 4.13Å; A137-F141 WeakPolarHBondContact O-CD2 3.3Å; A137-F141 PolarHBondContact O-N 2.86Å; F138-F141 PolarHBondContact O-N 3.41Å; F141-T143 PolarHBondContact O-N 3.22Å; F141-T143 PolarHBondContact O-OG1 3.04Å; F141-I149 HydrophobicContact CB-CD1 4.02Å; F141-I149 HydrophobicContact CB-CG1 4.48Å; F141-E153 HydrophobicContact CB-CB 4.16Å; F141-E153 WeakPolarHBondContact O-CG 3.48Å; F141-D156 HydrophobicContact CE1-CB 4.48Å; F141-C157 HydrophobicContact CB-CB 4.26Å; F141-C157 HydrophobicContact CD1-CB 4.17Å; F141-C157 HydrophobicContact CD2-CB 3.31Å; F141-C157 WeakPolarHBondContact CD2-SG 3.38Å; F141-C157 HydrophobicContact CE2-CB 3.79Å; F141-C157 HydrophobicContact CG-CB 3.6Å; F141-C157 HydrophobicContact CZ-CB 4.4Å; F141-T160 HydrophobicContact CE2-CG2 4.41Å; F141-T160 HydrophobicContact CZ-CG2 3.92Å; F141-T160 WeakPolarHBondContact CZ-OG1 3.48Å
142D78.6Confident76.2Confident13 Ų1368.9 Ų68.97%0.0735%0.351CS..  trans-68.876.1166.1-178.96.7000109.7F138 H145 D146 G147F138-D142 HydrophobicContact CD1-CB 4.22Å; F138-D142 HydrophobicContact CE1-CB 4.05Å; F138-D142 VanDerWaalsContact O-CB 3.26Å; F138-D142 WeakPolarHBondContact O-CB 3.22Å; F138-D142 PolarHBondContact O-N 3.43Å; D142-H145 PolarHBondContact O-CE1 3.2Å; D142-H145 PolarHBondContact O-N 3.24Å; D142-H145 PolarHBondContact O-ND1 2.83Å; D142-H145 WeakPolarHBondContact OD1-CA 3.14Å; D142-H145 PolarHBondContact OD1-N 2.68Å; D142-D146 PolarHBondContact OD1-N 3.45Å; D142-G147 VanDerWaalsContact OD2-CA 3.25Å; D142-G147 WeakPolarHBondContact OD2-CA 3.39Å; D142-G147 PolarHBondContact OD2-N 3.32Å
143T70.7Confident76.5Confident104 Ų10466.8 Ų66.864%0.63834%0.337SS*.THydrogen-bonded Turntrans-79.4-22.9-162.7-51.40000113.1F141F141-T143 PolarHBondContact O-N 3.22Å; F141-T143 PolarHBondContact O-OG1 3.04Å
144D76.2Confident76.6Confident118 Ų11863.9 Ų63.963%0.63132%0.324SS*.THydrogen-bonded Turntrans-96.91169.557.3-14.6000113.4D146D144-D146 PolarHBondContact O-N 2.84Å
145H77.8Confident76.6Confident142 Ų14263.7 Ų63.766%0.65732%0.323SS*.  trans53.540.9-178.9-58.1-33.5000112.1D142 G147D142-H145 PolarHBondContact O-CE1 3.2Å; D142-H145 PolarHBondContact O-N 3.24Å; D142-H145 PolarHBondContact O-ND1 2.83Å; D142-H145 WeakPolarHBondContact OD1-CA 3.14Å; D142-H145 PolarHBondContact OD1-N 2.68Å; H145-G147 VanDerWaalsContact C-N 3.3Å
146D81Confident76.4Confident59 Ų5963.4 Ų63.432%0.31632%0.324SS..SBendtrans-85.9-6180108.8-20.1000112.9D142 D144 Y148 R184D142-D146 PolarHBondContact OD1-N 3.45Å; D144-D146 PolarHBondContact O-N 2.84Å; D146-Y148 WeakPolarHBondContact O-CD2 3.42Å; D146-Y148 WeakPolarHBondContact OD1-CB 3.42Å; D146-Y148 WeakPolarHBondContact OD1-CD2 3.2Å; D146-Y148 PolarHBondContact OD1-N 3.23Å; D146-R184 VanDerWaalsContact CG-NH1 3.26Å; D146-R184 IonicContact OD1-CZ 2.97Å; D146-R184 IonicContact OD1-NH1 3.39Å; D146-R184 PolarHBondContact OD1-NH1 3.25Å; D146-R184 IonicContact OD2-CZ 2.72Å; D146-R184 IonicContact OD2-NH1 3.85Å; D146-R184 PolarHBondContact OD2-NH1 3.2Å; D146-R184 IonicContact OD2-NH2 2.75Å; D146-R184 PolarHBondContact OD2-NH2 3.29Å
147G77.9Confident76.2Confident34 Ų3460.6 Ų60.635%0.35130%0.301SS..SBendtrans90.15.6178.600000113.5D142 H145D142-G147 VanDerWaalsContact OD2-CA 3.25Å; D142-G147 WeakPolarHBondContact OD2-CA 3.39Å; D142-G147 PolarHBondContact OD2-N 3.32Å; H145-G147 VanDerWaalsContact C-N 3.3Å
148Y80.6Confident76Confident99 Ų9960.3 Ų60.339%0.38830%0.298SS..  trans-140.6132.1-176.7-55.4-87.3000113.5D146 R184 V185 D186D146-Y148 WeakPolarHBondContact O-CD2 3.42Å; D146-Y148 WeakPolarHBondContact OD1-CB 3.42Å; D146-Y148 WeakPolarHBondContact OD1-CD2 3.2Å; D146-Y148 PolarHBondContact OD1-N 3.23Å; Y148-R184 HydrophobicContact CD1-CB 3.81Å; Y148-R184 HydrophobicContact CG-CB 3.97Å; Y148-R184 HydrophobicContact CG-CG 4.35Å; Y148-V185 CarbonylContact C-O 3.54Å; Y148-V185 VanDerWaalsContact CA-O 3.24Å; Y148-V185 WeakPolarHBondContact CA-O 3.45Å; Y148-D186 HydrophobicContact CD1-CB 3.98Å; Y148-D186 HydrophobicContact CE1-CB 3.9Å
149I76.8Confident75.9Confident0 Ų064.2 Ų64.20%031%0.312CS..BIsolated β-bridgetrans-81.6134.6170.8-73.8179.6000110.3F138 F141 E153 L154 V185 F190F138-I149 HydrophobicContact CB-CD1 4.36Å; F138-I149 HydrophobicContact CD2-CD1 3.39Å; F138-I149 HydrophobicContact CD2-CG1 3.94Å; F138-I149 HydrophobicContact CE2-CB 4.35Å; F138-I149 HydrophobicContact CE2-CD1 3.75Å; F138-I149 HydrophobicContact CE2-CG1 3.78Å; F138-I149 HydrophobicContact CG-CD1 3.9Å; F138-I149 HydrophobicContact CG-CG1 4.46Å; F138-I149 HydrophobicContact CZ-CD1 4.5Å; F138-I149 HydrophobicContact CZ-CG1 4.15Å; F141-I149 HydrophobicContact CB-CD1 4.02Å; F141-I149 HydrophobicContact CB-CG1 4.48Å; I149-E153 HydrophobicContact CG2-CB 4.29Å; I149-L154 HydrophobicContact CG2-CB 3.68Å; I149-L154 HydrophobicContact CG2-CD1 4.17Å; I149-V185 PolarHBondContact N-O 2.97Å; I149-V185 PolarHBondContact O-N 3.27Å; I149-F190 HydrophobicContact CD1-CD2 3.78Å; I149-F190 HydrophobicContact CD1-CE2 3.77Å; I149-F190 HydrophobicContact CD1-CG 4.48Å; I149-F190 HydrophobicContact CD1-CZ 4.46Å
150S74.4Confident75.3Confident30 Ų3063.2 Ų63.221%0.2131%0.314CS..  trans-88.3160.3169104.40000111.2R152 E153 L154S150-R152 PolarHBondContact O-N 3.28Å; S150-R152 PolarHBondContact OG-N 3.24Å; S150-E153 VanDerWaalsContact CA-OE2 3.28Å; S150-E153 WeakPolarHBondContact CA-OE2 3.18Å; S150-E153 WeakPolarHBondContact CB-OE2 3.16Å; S150-E153 PolarHBondContact N-OE2 3.42Å; S150-E153 PolarHBondContact O-N 2.97Å; S150-E153 PolarHBondContact OG-OE2 3.08Å; S150-L154 WeakPolarHBondContact O-CB 3.39Å; S150-L154 PolarHBondContact O-N 2.94Å
151H70.3Confident74.7Confident66 Ų6659.4 Ų59.431%0.30630%0.297SS..THydrogen-bonded Turntrans-54.4-9.117571.4-54.5000116.6S174H151-S174 WeakPolarHBondContact CB-OG 3.39Å; H151-S174 PolarHBondContact CD2-OG 3.31Å; H151-S174 VanDerWaalsContact CD2-OG 3.28Å
152R73.7Confident74Confident180 Ų18060.5 Ų60.568%0.67932%0.315SS*.THydrogen-bonded Turntrans-89.8-57.2172.2-71.9-175.6172.1-160.9-4.5110.9S150 L154 G155 D156S150-R152 PolarHBondContact O-N 3.28Å; S150-R152 PolarHBondContact OG-N 3.24Å; R152-L154 PolarHBondContact O-N 3.24Å; R152-G155 WeakPolarHBondContact O-CA 3.16Å; R152-G155 PolarHBondContact O-N 2.82Å; R152-D156 PolarHBondContact O-N 2.9Å
153E77.7Confident73.4Confident63 Ų6360.9 Ų60.929%0.29432%0.315SS..Hα-helixtrans-60.1-32.6178-56.384.7-160.900110.8F141 I149 S150 G155 D156 C157F141-E153 HydrophobicContact CB-CB 4.16Å; F141-E153 WeakPolarHBondContact O-CG 3.48Å; I149-E153 HydrophobicContact CG2-CB 4.29Å; S150-E153 VanDerWaalsContact CA-OE2 3.28Å; S150-E153 WeakPolarHBondContact CA-OE2 3.18Å; S150-E153 WeakPolarHBondContact CB-OE2 3.16Å; S150-E153 PolarHBondContact N-OE2 3.42Å; S150-E153 PolarHBondContact O-N 2.97Å; S150-E153 PolarHBondContact OG-OE2 3.08Å; E153-G155 VanDerWaalsContact C-N 3.29Å; E153-G155 PolarHBondContact O-N 3.49Å; E153-D156 PolarHBondContact O-N 2.7Å; E153-C157 VanDerWaalsContact O-CB 3.25Å; E153-C157 WeakPolarHBondContact O-CB 3.43Å; E153-C157 PolarHBondContact O-N 2.83Å
154L75.6Confident73.1Confident0 Ų062.7 Ų62.70%032%0.318CS..Hα-helixtrans-56.8-39171.4-17163.9000113.4I149 S150 R152 M158 V173 I177 F190 L193 I194I149-L154 HydrophobicContact CG2-CB 3.68Å; I149-L154 HydrophobicContact CG2-CD1 4.17Å; S150-L154 WeakPolarHBondContact O-CB 3.39Å; S150-L154 PolarHBondContact O-N 2.94Å; R152-L154 PolarHBondContact O-N 3.24Å; L154-M158 VanDerWaalsContact O-CG 3.28Å; L154-M158 WeakPolarHBondContact O-CG 3.34Å; L154-M158 PolarHBondContact O-N 3Å; L154-V173 HydrophobicContact CD2-CG1 3.43Å; L154-V173 VanDerWaalsContact CD2-CG1 3.43Å; L154-I177 HydrophobicContact CD2-CD1 3.39Å; L154-F190 HydrophobicContact CD1-CD2 3.73Å; L154-F190 HydrophobicContact CD1-CE2 3.88Å; L154-L193 HydrophobicContact CD2-CD2 4.17Å; L154-I194 HydrophobicContact CD1-CD1 3.83Å; L154-I194 HydrophobicContact CD1-CG1 4.09Å
155G73.7Confident72.6Confident0 Ų057.8 Ų57.80%029%0.293CS..Hα-helixtrans-72.9-33.8179.200000112.6R152 E153 R159R152-G155 WeakPolarHBondContact O-CA 3.16Å; R152-G155 PolarHBondContact O-N 2.82Å; E153-G155 VanDerWaalsContact C-N 3.29Å; E153-G155 PolarHBondContact O-N 3.49Å; G155-R159 VanDerWaalsContact C-CZ 3.47Å; G155-R159 WeakPolarHBondContact O-CG 3.43Å; G155-R159 PolarHBondContact O-N 2.98Å; G155-R159 PolarHBondContact O-NE 3.39Å; G155-R159 PolarHBondContact O-NH1 3.43Å; G155-R159 VanDerWaalsContact O-NH1 3.13Å; G155-R159 PolarHBondContact O-NH2 2.95Å
156D75.2Confident72.5Confident79 Ų7954.7 Ų54.742%0.42228%0.284SS..Hα-helixtrans-75.3-38.3173-70.8-52.2000111.6F141 R152 E153 M158 R159 T160F141-D156 HydrophobicContact CE1-CB 4.48Å; R152-D156 PolarHBondContact O-N 2.9Å; E153-D156 PolarHBondContact O-N 2.7Å; D156-M158 PolarHBondContact O-N 3.01Å; D156-R159 VanDerWaalsContact CG-NH2 3.32Å; D156-R159 WeakPolarHBondContact O-CB 3.36Å; D156-R159 PolarHBondContact O-N 3.03Å; D156-R159 VanDerWaalsContact O-N 3.11Å; D156-R159 IonicContact OD1-CZ 3.24Å; D156-R159 IonicContact OD1-NE 3.03Å; D156-R159 PolarHBondContact OD1-NE 3.21Å; D156-R159 IonicContact OD1-NH2 2.65Å; D156-R159 PolarHBondContact OD1-NH2 3.09Å; D156-R159 IonicContact OD2-NH2 2.69Å; D156-T160 PolarHBondContact O-N 2.8Å; D156-T160 PolarHBondContact O-OG1 3.34Å
157C73.2Confident72.1Confident0 Ų059.5 Ų59.50%031%0.305CS..Hα-helixtrans-55.9-49.4171.4-178.50000112.1F141 E153 R159 T160 L161 F190F141-C157 HydrophobicContact CB-CB 4.26Å; F141-C157 HydrophobicContact CD1-CB 4.17Å; F141-C157 HydrophobicContact CD2-CB 3.31Å; F141-C157 WeakPolarHBondContact CD2-SG 3.38Å; F141-C157 HydrophobicContact CE2-CB 3.79Å; F141-C157 HydrophobicContact CG-CB 3.6Å; F141-C157 HydrophobicContact CZ-CB 4.4Å; E153-C157 VanDerWaalsContact O-CB 3.25Å; E153-C157 WeakPolarHBondContact O-CB 3.43Å; E153-C157 PolarHBondContact O-N 2.83Å; C157-R159 PolarHBondContact O-N 3.44Å; C157-T160 PolarHBondContact O-N 3.04Å; C157-L161 WeakPolarHBondContact O-CB 3.06Å; C157-L161 WeakPolarHBondContact O-CG 3.11Å; C157-L161 PolarHBondContact O-N 3.13Å; C157-F190 HydrophobicContact CB-CE2 4.48Å; C157-F190 VanDerWaalsContact SG-CE2 3.55Å; C157-F190 WeakPolarHBondContact SG-CZ 3.46Å
158M72.3Confident71.8Confident3 Ų363.8 Ų63.82%0.01532%0.317CS..Hα-helixtrans-52.3-45.1174.9-80.2177.8161.400111.6L154 D156 L161 G162 Y163 P165 L170 V173 L193 I194 K197L154-M158 VanDerWaalsContact O-CG 3.28Å; L154-M158 WeakPolarHBondContact O-CG 3.34Å; L154-M158 PolarHBondContact O-N 3Å; D156-M158 PolarHBondContact O-N 3.01Å; M158-L161 CarbonylContact O-C 3.59Å; M158-L161 PolarHBondContact O-N 3.26Å; M158-G162 PolarHBondContact O-N 3.32Å; M158-Y163 CarbonylContact C-O 3.09Å; M158-Y163 HydrophobicContact CB-CD1 3.83Å; M158-Y163 HydrophobicContact CE-CD1 4.31Å; M158-Y163 HydrophobicContact CE-CE1 3.86Å; M158-Y163 HydrophobicContact CG-CD1 3.79Å; M158-Y163 HydrophobicContact CG-CE1 4.18Å; M158-Y163 PolarHBondContact O-N 3.11Å; M158-Y163 HydrophobicContact SD-CD1 3.89Å; M158-Y163 HydrophobicContact SD-CE1 3.65Å; M158-P165 HydrophobicContact CB-CG 3.95Å; M158-P165 HydrophobicContact CG-CG 4.5Å; M158-P165 HydrophobicContact SD-CB 3.98Å; M158-P165 HydrophobicContact SD-CG 3.74Å; M158-L170 HydrophobicContact SD-CD1 4.42Å; M158-V173 HydrophobicContact CE-CG2 4.3Å; M158-L193 HydrophobicContact CE-CD2 4.16Å; M158-I194 HydrophobicContact CE-CD1 3.41Å; M158-I194 VanDerWaalsContact CE-CD1 3.41Å; M158-I194 HydrophobicContact CG-CD1 3.61Å; M158-I194 HydrophobicContact SD-CD1 4.33Å; M158-K197 HydrophobicContact CE-CD 3.81Å
159R74.3Confident71.2Confident97 Ų9761.1 Ų61.137%0.36631%0.308SS..Hα-helixtrans-66.5-41.1179.6-71.1-176.7-81-85.55.4113.1G155 D156 C157 L161 G162 Y163 M164G155-R159 VanDerWaalsContact C-CZ 3.47Å; G155-R159 WeakPolarHBondContact O-CG 3.43Å; G155-R159 PolarHBondContact O-N 2.98Å; G155-R159 PolarHBondContact O-NE 3.39Å; G155-R159 PolarHBondContact O-NH1 3.43Å; G155-R159 VanDerWaalsContact O-NH1 3.13Å; G155-R159 PolarHBondContact O-NH2 2.95Å; D156-R159 VanDerWaalsContact CG-NH2 3.32Å; D156-R159 WeakPolarHBondContact O-CB 3.36Å; D156-R159 PolarHBondContact O-N 3.03Å; D156-R159 VanDerWaalsContact O-N 3.11Å; D156-R159 IonicContact OD1-CZ 3.24Å; D156-R159 IonicContact OD1-NE 3.03Å; D156-R159 PolarHBondContact OD1-NE 3.21Å; D156-R159 IonicContact OD1-NH2 2.65Å; D156-R159 PolarHBondContact OD1-NH2 3.09Å; D156-R159 IonicContact OD2-NH2 2.69Å; C157-R159 PolarHBondContact O-N 3.44Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-G162 PolarHBondContact O-N 2.86Å; R159-Y163 VanDerWaalsContact CA-O 3.22Å; R159-Y163 WeakPolarHBondContact CA-O 3.44Å; R159-Y163 PolarHBondContact N-O 3.28Å; R159-M164 HydrophobicContact CB-SD 4.43Å; R159-M164 HydrophobicContact CG-SD 3.78Å
160T67.8Low71Confident92 Ų9262.9 Ų62.956%0.56432%0.317SS*.Hα-helixtrans-68.3-32.9175.9-59.50000112.1F141 D156 C157 G162F141-T160 HydrophobicContact CE2-CG2 4.41Å; F141-T160 HydrophobicContact CZ-CG2 3.92Å; F141-T160 WeakPolarHBondContact CZ-OG1 3.48Å; D156-T160 PolarHBondContact O-N 2.8Å; D156-T160 PolarHBondContact O-OG1 3.34Å; C157-T160 PolarHBondContact O-N 3.04Å; T160-G162 PolarHBondContact O-N 2.98Å
161L65.4Low70.7Confident47 Ų4765.7 Ų65.725%0.24633%0.329CS..THydrogen-bonded Turntrans-75.26.9169.9-65.4172.6000113.6L134 A137 C157 M158 R159 F190 I194 L198L134-L161 HydrophobicContact CD2-CD1 3.95Å; A137-L161 HydrophobicContact CB-CD1 4.47Å; A137-L161 HydrophobicContact CB-CD2 4.1Å; A137-L161 HydrophobicContact CB-CG 4.47Å; C157-L161 WeakPolarHBondContact O-CB 3.06Å; C157-L161 WeakPolarHBondContact O-CG 3.11Å; C157-L161 PolarHBondContact O-N 3.13Å; M158-L161 CarbonylContact O-C 3.59Å; M158-L161 PolarHBondContact O-N 3.26Å; R159-L161 VanDerWaalsContact C-N 3.32Å; L161-F190 HydrophobicContact CD1-CZ 4.48Å; L161-I194 HydrophobicContact CD1-CG2 3.93Å; L161-L198 HydrophobicContact CB-CD1 4.35Å; L161-L198 HydrophobicContact CD1-CD1 4.08Å; L161-L198 HydrophobicContact CD2-CD1 4.46Å
162G61.5Low70.8Confident44 Ų4468.1 Ų68.145%0.45434%0.341SS..THydrogen-bonded Turntrans87.2-2.8173.400000115.9M158 R159 T160M158-G162 PolarHBondContact O-N 3.32Å; R159-G162 PolarHBondContact O-N 2.86Å; T160-G162 PolarHBondContact O-N 2.98Å
163Y66.1Low70.5Confident21 Ų2160.1 Ų60.18%0.08231%0.312CS..  trans-94.3129.5177.8169.3-123.8000110.4M158 R159 P165 E169 K197 E201M158-Y163 CarbonylContact C-O 3.09Å; M158-Y163 HydrophobicContact CB-CD1 3.83Å; M158-Y163 HydrophobicContact CE-CD1 4.31Å; M158-Y163 HydrophobicContact CE-CE1 3.86Å; M158-Y163 HydrophobicContact CG-CD1 3.79Å; M158-Y163 HydrophobicContact CG-CE1 4.18Å; M158-Y163 PolarHBondContact O-N 3.11Å; M158-Y163 HydrophobicContact SD-CD1 3.89Å; M158-Y163 HydrophobicContact SD-CE1 3.65Å; R159-Y163 VanDerWaalsContact CA-O 3.22Å; R159-Y163 WeakPolarHBondContact CA-O 3.44Å; R159-Y163 PolarHBondContact N-O 3.28Å; Y163-P165 VanDerWaalsContact C-CD 3.44Å; Y163-P165 HydrophobicContact CD1-CB 4.39Å; Y163-P165 HydrophobicContact CD1-CG 4.49Å; Y163-P165 HydrophobicContact CE1-CB 3.72Å; Y163-P165 HydrophobicContact CE1-CG 4.26Å; Y163-P165 WeakPolarHBondContact O-CD 3.14Å; Y163-E169 VanDerWaalsContact OH-CD 3.3Å; Y163-E169 PolarHBondContact OH-OE1 3.11Å; Y163-K197 HydrophobicContact CE1-CB 4.47Å; Y163-K197 HydrophobicContact CE1-CD 3.86Å; Y163-K197 PolarHBondContact OH-NZ 2.89Å; Y163-E201 VanDerWaalsContact CD2-OE2 3.23Å; Y163-E201 WeakPolarHBondContact CD2-OE2 3.37Å; Y163-E201 HydrophobicContact CE2-CG 4.42Å; Y163-E201 VanDerWaalsContact CE2-OE2 3.28Å; Y163-E201 WeakPolarHBondContact CE2-OE2 3.49Å
164M64.1Low69.9Low143 Ų14357.4 Ų57.470%0.70430%0.3SS*.  trans-10875.6-175.6-76.6-78.5-76.200110.7R159R159-M164 HydrophobicContact CB-SD 4.43Å; R159-M164 HydrophobicContact CG-SD 3.78Å
165P65.6Low69.6Low15 Ų1562.8 Ų62.810%0.09733%0.325CS..  trans-60.9139.9-175.426.7-37.2000111.7M158 Y163M158-P165 HydrophobicContact CB-CG 3.95Å; M158-P165 HydrophobicContact CG-CG 4.5Å; M158-P165 HydrophobicContact SD-CB 3.98Å; M158-P165 HydrophobicContact SD-CG 3.74Å; Y163-P165 VanDerWaalsContact C-CD 3.44Å; Y163-P165 HydrophobicContact CD1-CB 4.39Å; Y163-P165 HydrophobicContact CD1-CG 4.49Å; Y163-P165 HydrophobicContact CE1-CB 3.72Å; Y163-P165 HydrophobicContact CE1-CG 4.26Å; Y163-P165 WeakPolarHBondContact O-CD 3.14Å
166T75.4Confident69.3Low77 Ų7768 Ų6847%0.47235%0.349SS..  trans-68.7158.8166.764.70000111M168 E169 L170T166-M168 PolarHBondContact O-N 3.43Å; T166-E169 VanDerWaalsContact CB-OE2 3.32Å; T166-E169 WeakPolarHBondContact CB-OE2 3.41Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.23Å; T166-E169 PolarHBondContact N-OE2 3.4Å; T166-E169 PolarHBondContact O-N 3.49Å; T166-E169 WeakPolarHBondContact OG1-CG 3.32Å; T166-E169 PolarHBondContact OG1-N 3.31Å; T166-E169 PolarHBondContact OG1-OE2 3.36Å; T166-L170 PolarHBondContact O-N 3.12Å
167E72.6Confident68.9Low160 Ų16064.3 Ų64.375%0.74833%0.329SS*.Hα-helixtrans-59-29.6175-171.5173.4-164.600112L171E167-L171 HydrophobicContact CG-CD1 4.2Å; E167-L171 WeakPolarHBondContact O-CB 3.38Å; E167-L171 WeakPolarHBondContact O-CD1 3.47Å; E167-L171 WeakPolarHBondContact O-CG 3.39Å; E167-L171 PolarHBondContact O-N 3.35Å
168M70.9Confident68.5Low124 Ų12469.3 Ų69.361%0.61135%0.351SS*.Hα-helixtrans-67.1-51.6175.3-168.364.266.300111.6T166 L170 L171 E172T166-M168 PolarHBondContact O-N 3.43Å; M168-L170 VanDerWaalsContact C-N 3.3Å; M168-L170 PolarHBondContact O-N 2.89Å; M168-L171 CarbonylContact O-C 3.59Å; M168-L171 WeakPolarHBondContact O-CB 3.27Å; M168-L171 PolarHBondContact O-N 3.17Å; M168-L171 VanDerWaalsContact O-N 3.08Å; M168-E172 WeakPolarHBondContact O-CG 3.48Å; M168-E172 PolarHBondContact O-N 2.66Å
169E69.7Low68.3Low43 Ų4376.9 Ų76.920%0.20139%0.389CS..Hα-helixtrans-62.8-38.2179.9-67.5163.197.100111.7Y163 T166 L171 E172 V173 K197Y163-E169 VanDerWaalsContact OH-CD 3.3Å; Y163-E169 PolarHBondContact OH-OE1 3.11Å; T166-E169 VanDerWaalsContact CB-OE2 3.32Å; T166-E169 WeakPolarHBondContact CB-OE2 3.41Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.23Å; T166-E169 PolarHBondContact N-OE2 3.4Å; T166-E169 PolarHBondContact O-N 3.49Å; T166-E169 WeakPolarHBondContact OG1-CG 3.32Å; T166-E169 PolarHBondContact OG1-N 3.31Å; T166-E169 PolarHBondContact OG1-OE2 3.36Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 2.88Å; E169-E172 PolarHBondContact O-N 3.04Å; E169-V173 VanDerWaalsContact O-CB 3.28Å; E169-V173 WeakPolarHBondContact O-CB 3.2Å; E169-V173 VanDerWaalsContact O-CG2 3.31Å; E169-V173 WeakPolarHBondContact O-CG2 3.38Å; E169-V173 PolarHBondContact O-N 2.76Å; E169-K197 IonicContact OE1-NZ 2.84Å; E169-K197 PolarHBondContact OE1-NZ 3.3Å
170L71.3Confident67.8Low37 Ų3779.7 Ų79.719%0.19440%0.399CS..Hα-helixtrans-67.3-32.5175.9-169.363.6000111.8M158 T166 M168 S174M158-L170 HydrophobicContact SD-CD1 4.42Å; T166-L170 PolarHBondContact O-N 3.12Å; M168-L170 VanDerWaalsContact C-N 3.3Å; M168-L170 PolarHBondContact O-N 2.89Å; L170-S174 WeakPolarHBondContact O-CB 3.38Å; L170-S174 PolarHBondContact O-N 2.79Å
171L68.8Low67.4Low88 Ų8876.5 Ų76.546%0.46138%0.378SS..Hα-helixtrans-73.3-36.4172.5-76.8169.1000113E167 M168 E169 Q175E167-L171 HydrophobicContact CG-CD1 4.2Å; E167-L171 WeakPolarHBondContact O-CB 3.38Å; E167-L171 WeakPolarHBondContact O-CD1 3.47Å; E167-L171 WeakPolarHBondContact O-CG 3.39Å; E167-L171 PolarHBondContact O-N 3.35Å; M168-L171 CarbonylContact O-C 3.59Å; M168-L171 WeakPolarHBondContact O-CB 3.27Å; M168-L171 PolarHBondContact O-N 3.17Å; M168-L171 VanDerWaalsContact O-N 3.08Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 2.88Å; L171-Q175 WeakPolarHBondContact O-CB 3.39Å; L171-Q175 WeakPolarHBondContact O-CG 3.29Å; L171-Q175 PolarHBondContact O-N 3.06Å; L171-Q175 PolarHBondContact O-NE2 2.92Å
172E73Confident67.5Low117 Ų11777.9 Ų77.955%0.54740%0.404SS..Hα-helixtrans-65.1-49.6173.4-72.1177.4156.500110.6M168 E169 S174 Q175 H176M168-E172 WeakPolarHBondContact O-CG 3.48Å; M168-E172 PolarHBondContact O-N 2.66Å; E169-E172 PolarHBondContact O-N 3.04Å; E172-S174 PolarHBondContact O-N 3.24Å; E172-Q175 PolarHBondContact O-N 2.78Å; E172-H176 WeakPolarHBondContact O-CB 3.37Å; E172-H176 PolarHBondContact O-N 2.7Å
173V66.9Low67.8Low13 Ų1377 Ų778%0.07939%0.394CS..Hα-helixtrans-54.4-50.8171.2158.50000111.1L154 M158 E169 Q175 H176 I177 L193L154-V173 HydrophobicContact CD2-CG1 3.43Å; L154-V173 VanDerWaalsContact CD2-CG1 3.43Å; M158-V173 HydrophobicContact CE-CG2 4.3Å; E169-V173 VanDerWaalsContact O-CB 3.28Å; E169-V173 WeakPolarHBondContact O-CB 3.2Å; E169-V173 VanDerWaalsContact O-CG2 3.31Å; E169-V173 WeakPolarHBondContact O-CG2 3.38Å; E169-V173 PolarHBondContact O-N 2.76Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 2.8Å; V173-H176 PolarHBondContact O-N 2.79Å; V173-I177 HydrophobicContact CG1-CD1 3.67Å; V173-I177 WeakPolarHBondContact O-CD1 3.48Å; V173-I177 VanDerWaalsContact O-CG1 3.28Å; V173-I177 WeakPolarHBondContact O-CG1 3.15Å; V173-I177 PolarHBondContact O-N 3.42Å; V173-L193 HydrophobicContact CG1-CD1 4.13Å; V173-L193 HydrophobicContact CG1-CD2 3.7Å; V173-L193 HydrophobicContact CG1-CG 4.5Å; V173-L193 HydrophobicContact CG2-CD2 4.08Å
174S65.6Low67.9Low5 Ų581.4 Ų81.44%0.03541%0.411CS..Hα-helixtrans-63.1-34.4-179.7-169.10000113H151 L170 E172 K178H151-S174 WeakPolarHBondContact CB-OG 3.39Å; H151-S174 PolarHBondContact CD2-OG 3.31Å; H151-S174 VanDerWaalsContact CD2-OG 3.28Å; L170-S174 WeakPolarHBondContact O-CB 3.38Å; L170-S174 PolarHBondContact O-N 2.79Å; E172-S174 PolarHBondContact O-N 3.24Å; S174-K178 WeakPolarHBondContact O-CB 3.47Å; S174-K178 WeakPolarHBondContact O-CD 3.34Å; S174-K178 VanDerWaalsContact O-CG 3.24Å; S174-K178 WeakPolarHBondContact O-CG 3.24Å; S174-K178 PolarHBondContact O-N 3.47Å; S174-K178 PolarHBondContact OG-NZ 2.97Å
175Q67.7Low68.4Low114 Ų11474.6 Ų74.653%0.53338%0.377SS..Hα-helixtrans-72.5-40.2174.1-79.1-178.493.600112.2L171 E172 V173 I177 K178 M179L171-Q175 WeakPolarHBondContact O-CB 3.39Å; L171-Q175 WeakPolarHBondContact O-CG 3.29Å; L171-Q175 PolarHBondContact O-N 3.06Å; L171-Q175 PolarHBondContact O-NE2 2.92Å; E172-Q175 PolarHBondContact O-N 2.78Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 2.8Å; Q175-I177 VanDerWaalsContact C-N 3.35Å; Q175-I177 PolarHBondContact O-N 3.16Å; Q175-K178 PolarHBondContact O-N 2.91Å; Q175-M179 WeakPolarHBondContact O-CB 3.47Å; Q175-M179 WeakPolarHBondContact O-CG 3.2Å; Q175-M179 PolarHBondContact O-N 3.1Å
176H68.1Low69Low109 Ų10976.3 Ų76.351%0.50539%0.386SS..Hα-helixtrans-58.5-48.2175.4-166.871.8000110.8E172 V173 K178 M179 R180E172-H176 WeakPolarHBondContact O-CB 3.37Å; E172-H176 PolarHBondContact O-N 2.7Å; V173-H176 PolarHBondContact O-N 2.79Å; H176-K178 PolarHBondContact O-N 2.97Å; H176-M179 PolarHBondContact O-N 3.07Å; H176-R180 PolarHBondContact NE2-NH1 3.4Å; H176-R180 WeakPolarHBondContact O-CB 3.5Å; H176-R180 PolarHBondContact O-N 3.24Å
177I66.7Low69.1Low1 Ų175.2 Ų75.21%0.00538%0.375CS..Hα-helixtrans-57.1-49.8173.4-67.4160000111.4L154 V173 Q175 M179 M181 G182 G183 R184 V185 L193L154-I177 HydrophobicContact CD2-CD1 3.39Å; V173-I177 HydrophobicContact CG1-CD1 3.67Å; V173-I177 WeakPolarHBondContact O-CD1 3.48Å; V173-I177 VanDerWaalsContact O-CG1 3.28Å; V173-I177 WeakPolarHBondContact O-CG1 3.15Å; V173-I177 PolarHBondContact O-N 3.42Å; Q175-I177 VanDerWaalsContact C-N 3.35Å; Q175-I177 PolarHBondContact O-N 3.16Å; I177-M179 VanDerWaalsContact C-N 3.33Å; I177-M179 PolarHBondContact O-N 2.87Å; I177-M181 HydrophobicContact CB-SD 4.39Å; I177-M181 HydrophobicContact CG1-SD 3.93Å; I177-M181 HydrophobicContact CG2-CB 4.37Å; I177-M181 CarbonylContact O-C 3.33Å; I177-M181 VanDerWaalsContact O-CA 3.29Å; I177-M181 WeakPolarHBondContact O-CA 3.31Å; I177-M181 WeakPolarHBondContact O-CB 3.48Å; I177-M181 PolarHBondContact O-N 2.93Å; I177-G182 PolarHBondContact O-N 3.18Å; I177-G183 PolarHBondContact O-N 2.93Å; I177-R184 WeakPolarHBondContact CG2-O 3.26Å; I177-V185 HydrophobicContact CB-CG2 4.29Å; I177-V185 HydrophobicContact CD1-CG2 3.53Å; I177-V185 HydrophobicContact CG1-CG2 3.73Å; I177-V185 HydrophobicContact CG2-CG2 3.55Å; I177-L193 HydrophobicContact CD1-CD1 3.83Å; I177-L193 HydrophobicContact CG1-CD1 3.65Å
178K65.3Low69.4Low105 Ų10574.7 Ų74.746%0.45737%0.372SS..Hα-helixtrans-65.5-32.5-179.4-76.1164.3-177.6150.30113.7S174 Q175 H176S174-K178 WeakPolarHBondContact O-CB 3.47Å; S174-K178 WeakPolarHBondContact O-CD 3.34Å; S174-K178 VanDerWaalsContact O-CG 3.24Å; S174-K178 WeakPolarHBondContact O-CG 3.24Å; S174-K178 PolarHBondContact O-N 3.47Å; S174-K178 PolarHBondContact OG-NZ 2.97Å; Q175-K178 PolarHBondContact O-N 2.91Å; H176-K178 PolarHBondContact O-N 2.97Å
179M67.4Low69.7Low163 Ų16370.9 Ų70.980%0.80335%0.353SS*.Hα-helixtrans-88.8-24.5-178-66.2-66.9-175.600113.7Q175 H176 I177Q175-M179 WeakPolarHBondContact O-CB 3.47Å; Q175-M179 WeakPolarHBondContact O-CG 3.2Å; Q175-M179 PolarHBondContact O-N 3.1Å; H176-M179 PolarHBondContact O-N 3.07Å; I177-M179 VanDerWaalsContact C-N 3.33Å; I177-M179 PolarHBondContact O-N 2.87Å
180R63.4Low69.9Low156 Ų15668.9 Ų68.959%0.58934%0.343SS*.Hα-helixtrans-112.3-36.4-173.2-161.8-174.6-144.8-1607113.7H176H176-R180 PolarHBondContact NE2-NH1 3.4Å; H176-R180 WeakPolarHBondContact O-CB 3.5Å; H176-R180 PolarHBondContact O-N 3.24Å
181M60.4Low70.1Confident24 Ų2468.5 Ų68.512%0.11834%0.343CS..SBendtrans-117.314.6-168.2-55.2161.2158.900111.5I177 G183 R184 E189I177-M181 HydrophobicContact CB-SD 4.39Å; I177-M181 HydrophobicContact CG1-SD 3.93Å; I177-M181 HydrophobicContact CG2-CB 4.37Å; I177-M181 CarbonylContact O-C 3.33Å; I177-M181 VanDerWaalsContact O-CA 3.29Å; I177-M181 WeakPolarHBondContact O-CA 3.31Å; I177-M181 WeakPolarHBondContact O-CB 3.48Å; I177-M181 PolarHBondContact O-N 2.93Å; M181-G183 PolarHBondContact O-N 3.3Å; M181-R184 WeakPolarHBondContact CB-O 2.96Å; M181-E189 VanDerWaalsContact CB-OE1 3.28Å; M181-E189 WeakPolarHBondContact CB-OE1 3.48Å; M181-E189 HydrophobicContact CE-CB 3.71Å; M181-E189 HydrophobicContact CE-CG 3.86Å; M181-E189 HydrophobicContact CG-CG 4.22Å; M181-E189 WeakPolarHBondContact CG-OE1 3.28Å; M181-E189 HydrophobicContact SD-CB 4.03Å; M181-E189 HydrophobicContact SD-CG 4.26Å
182G66.7Low70.4Confident76 Ų7670.4 Ų70.478%0.78435%0.349SS*.THydrogen-bonded Turntrans69.80.5177.300000116.1I177I177-G182 PolarHBondContact O-N 3.18Å
183G67.5Low70.3Confident25 Ų2565.8 Ų65.826%0.25833%0.328SS..THydrogen-bonded Turntrans101.25177.800000115.9I177 M181I177-G183 PolarHBondContact O-N 2.93Å; M181-G183 PolarHBondContact O-N 3.3Å
184R69.5Low70.5Confident114 Ų11465.4 Ų65.443%0.4333%0.326SS..  trans-119.8169.5166.8-77.3-175.3176.2-91.816.6109D146 Y148 I177 M181D146-R184 VanDerWaalsContact CG-NH1 3.26Å; D146-R184 IonicContact OD1-CZ 2.97Å; D146-R184 IonicContact OD1-NH1 3.39Å; D146-R184 PolarHBondContact OD1-NH1 3.25Å; D146-R184 IonicContact OD2-CZ 2.72Å; D146-R184 IonicContact OD2-NH1 3.85Å; D146-R184 PolarHBondContact OD2-NH1 3.2Å; D146-R184 IonicContact OD2-NH2 2.75Å; D146-R184 PolarHBondContact OD2-NH2 3.29Å; Y148-R184 HydrophobicContact CD1-CB 3.81Å; Y148-R184 HydrophobicContact CG-CB 3.97Å; Y148-R184 HydrophobicContact CG-CG 4.35Å; I177-R184 WeakPolarHBondContact CG2-O 3.26Å; M181-R184 WeakPolarHBondContact CB-O 2.96Å
185V74.1Confident70.6Confident0 Ų065.3 Ų65.30%033%0.325CS..BIsolated β-bridgetrans-135.9112.5179.4-168.70000108.3Y148 I149 I177 E189 F190Y148-V185 CarbonylContact C-O 3.54Å; Y148-V185 VanDerWaalsContact CA-O 3.24Å; Y148-V185 WeakPolarHBondContact CA-O 3.45Å; I149-V185 PolarHBondContact N-O 2.97Å; I149-V185 PolarHBondContact O-N 3.27Å; I177-V185 HydrophobicContact CB-CG2 4.29Å; I177-V185 HydrophobicContact CD1-CG2 3.53Å; I177-V185 HydrophobicContact CG1-CG2 3.73Å; I177-V185 HydrophobicContact CG2-CG2 3.55Å; V185-E189 WeakPolarHBondContact CA-OE2 3.48Å; V185-E189 HydrophobicContact CG1-CB 3.77Å; V185-F190 HydrophobicContact CG1-CB 3.81Å; V185-F190 VanDerWaalsContact CG1-N 3.33Å
186D78.1Confident70.6Confident52 Ų5262.9 Ų62.928%0.27832%0.319SS..  trans-78.9-178.8169.869.937.4000112.2Y148 E188 E189 F190Y148-D186 HydrophobicContact CD1-CB 3.98Å; Y148-D186 HydrophobicContact CE1-CB 3.9Å; D186-E188 PolarHBondContact OD1-N 3.42Å; D186-E188 VanDerWaalsContact OD1-N 3.09Å; D186-E189 PolarHBondContact N-OE2 2.84Å; D186-E189 PolarHBondContact O-N 2.63Å; D186-E189 WeakPolarHBondContact OD1-CG 3.31Å; D186-E189 PolarHBondContact OD1-N 2.99Å; D186-F190 WeakPolarHBondContact O-CB 3.49Å; D186-F190 PolarHBondContact O-N 2.37Å
187F78.4Confident70.2Confident54 Ų5459.8 Ų59.824%0.23730%0.304CS..Hα-helixtrans-67.3-40.6-176-179-112.1000113.3L134 Q135 F138 F190 V191L134-F187 HydrophobicContact CB-CE2 4.47Å; Q135-F187 HydrophobicContact CB-CE2 3.87Å; Q135-F187 HydrophobicContact CB-CZ 3.81Å; Q135-F187 HydrophobicContact CG-CE2 4.42Å; Q135-F187 HydrophobicContact CG-CZ 4.46Å; F138-F187 HydrophobicContact CB-CD2 3.91Å; F138-F187 HydrophobicContact CB-CE2 4.24Å; F138-F187 HydrophobicContact CD2-CB 4.33Å; F138-F187 AromaticContact CD2-CD2 3.81Å; F138-F187 HydrophobicContact CD2-CD2 3.81Å; F138-F187 HydrophobicContact CE2-CB 4.18Å; F138-F187 HydrophobicContact CE2-CD2 4.48Å; F138-F187 AromaticContact CG-CD2 3.83Å; F138-F187 HydrophobicContact CG-CD2 3.83Å; F138-F187 HydrophobicContact CZ-CB 4.33Å; F187-F190 HydrophobicContact CD2-CD1 4.29Å; F187-F190 HydrophobicContact CE2-CD1 4.39Å; F187-F190 PolarHBondContact O-N 2.96Å; F187-V191 HydrophobicContact CD1-CG2 4.5Å; F187-V191 HydrophobicContact CD2-CG2 4.31Å; F187-V191 HydrophobicContact CE1-CG2 4.05Å; F187-V191 HydrophobicContact CE2-CG2 3.83Å; F187-V191 HydrophobicContact CZ-CG2 3.69Å; F187-V191 WeakPolarHBondContact O-CB 3.43Å; F187-V191 VanDerWaalsContact O-CG2 3.31Å; F187-V191 WeakPolarHBondContact O-CG2 3.35Å; F187-V191 PolarHBondContact O-N 3.09Å
188E78.7Confident69.9Low148 Ų14862.2 Ų62.269%0.69232%0.317SS*.Hα-helixtrans-64.5-43.1174.6-88.997.9171.500111.2D186 F190 V191 E192D186-E188 PolarHBondContact OD1-N 3.42Å; D186-E188 VanDerWaalsContact OD1-N 3.09Å; E188-F190 PolarHBondContact O-N 3.08Å; E188-V191 PolarHBondContact O-N 3.42Å; E188-E192 PolarHBondContact O-N 3.31Å
189E77Confident69.7Low45 Ų4559.5 Ų59.521%0.2130%0.304CS..Hα-helixtrans-64.7-37176.2-67.9-179.9145.800112.6M181 V185 D186 L193M181-E189 VanDerWaalsContact CB-OE1 3.28Å; M181-E189 WeakPolarHBondContact CB-OE1 3.48Å; M181-E189 HydrophobicContact CE-CB 3.71Å; M181-E189 HydrophobicContact CE-CG 3.86Å; M181-E189 HydrophobicContact CG-CG 4.22Å; M181-E189 WeakPolarHBondContact CG-OE1 3.28Å; M181-E189 HydrophobicContact SD-CB 4.03Å; M181-E189 HydrophobicContact SD-CG 4.26Å; V185-E189 WeakPolarHBondContact CA-OE2 3.48Å; V185-E189 HydrophobicContact CG1-CB 3.77Å; D186-E189 PolarHBondContact N-OE2 2.84Å; D186-E189 PolarHBondContact O-N 2.63Å; D186-E189 WeakPolarHBondContact OD1-CG 3.31Å; D186-E189 PolarHBondContact OD1-N 2.99Å; E189-L193 VanDerWaalsContact O-CB 3.29Å; E189-L193 WeakPolarHBondContact O-CB 3.35Å; E189-L193 PolarHBondContact O-N 2.98Å; E189-L193 VanDerWaalsContact O-N 3.16Å
190F74.5Confident69Low0 Ų056.7 Ų56.70%029%0.289CS..Hα-helixtrans-65.6-43.8174.9170.8-97.1000111.1L134 F138 I149 L154 C157 L161 V185 D186 F187 E188 L193 I194L134-F190 HydrophobicContact CB-CE1 4.1Å; L134-F190 HydrophobicContact CD2-CE1 3.77Å; L134-F190 HydrophobicContact CD2-CZ 4.21Å; L134-F190 WeakPolarHBondContact O-CE1 3.11Å; F138-F190 HydrophobicContact CB-CE1 4.35Å; F138-F190 HydrophobicContact CD2-CB 3.9Å; F138-F190 AromaticContact CD2-CD1 3.83Å; F138-F190 HydrophobicContact CD2-CD1 3.83Å; F138-F190 HydrophobicContact CD2-CD2 4.21Å; F138-F190 HydrophobicContact CD2-CE1 4.37Å; F138-F190 AromaticContact CD2-CG 3.74Å; F138-F190 HydrophobicContact CD2-CG 3.74Å; F138-F190 HydrophobicContact CE2-CB 3.95Å; F138-F190 HydrophobicContact CE2-CG 4.26Å; I149-F190 HydrophobicContact CD1-CD2 3.78Å; I149-F190 HydrophobicContact CD1-CE2 3.77Å; I149-F190 HydrophobicContact CD1-CG 4.48Å; I149-F190 HydrophobicContact CD1-CZ 4.46Å; L154-F190 HydrophobicContact CD1-CD2 3.73Å; L154-F190 HydrophobicContact CD1-CE2 3.88Å; C157-F190 HydrophobicContact CB-CE2 4.48Å; C157-F190 VanDerWaalsContact SG-CE2 3.55Å; C157-F190 WeakPolarHBondContact SG-CZ 3.46Å; L161-F190 HydrophobicContact CD1-CZ 4.48Å; V185-F190 HydrophobicContact CG1-CB 3.81Å; V185-F190 VanDerWaalsContact CG1-N 3.33Å; D186-F190 WeakPolarHBondContact O-CB 3.49Å; D186-F190 PolarHBondContact O-N 2.37Å; F187-F190 HydrophobicContact CD2-CD1 4.29Å; F187-F190 HydrophobicContact CE2-CD1 4.39Å; F187-F190 PolarHBondContact O-N 2.96Å; E188-F190 PolarHBondContact O-N 3.08Å; F190-L193 PolarHBondContact O-N 3.12Å; F190-I194 HydrophobicContact CD2-CG1 3.82Å; F190-I194 HydrophobicContact CE2-CD1 4.49Å; F190-I194 HydrophobicContact CE2-CG1 3.61Å; F190-I194 HydrophobicContact CG-CG1 4.37Å; F190-I194 HydrophobicContact CZ-CG1 3.98Å; F190-I194 WeakPolarHBondContact O-CB 3.46Å; F190-I194 PolarHBondContact O-N 2.77Å
191V75.2Confident68.2Low29 Ų2954.1 Ų54.118%0.17628%0.284CS..Hα-helixtrans-63.3-43.9175.7163.90000111.7L126 L131 L134 F187 E188 L193 G195L126-V191 HydrophobicContact CD1-CG1 3.59Å; L131-V191 HydrophobicContact CD2-CG1 4.2Å; L131-V191 HydrophobicContact CD2-CG2 4.21Å; L134-V191 HydrophobicContact CD1-CG2 4.46Å; F187-V191 HydrophobicContact CD1-CG2 4.5Å; F187-V191 HydrophobicContact CD2-CG2 4.31Å; F187-V191 HydrophobicContact CE1-CG2 4.05Å; F187-V191 HydrophobicContact CE2-CG2 3.83Å; F187-V191 HydrophobicContact CZ-CG2 3.69Å; F187-V191 WeakPolarHBondContact O-CB 3.43Å; F187-V191 VanDerWaalsContact O-CG2 3.31Å; F187-V191 WeakPolarHBondContact O-CG2 3.35Å; F187-V191 PolarHBondContact O-N 3.09Å; E188-V191 PolarHBondContact O-N 3.42Å; V191-L193 PolarHBondContact O-N 2.75Å; V191-G195 WeakPolarHBondContact O-CA 3.35Å; V191-G195 PolarHBondContact O-N 3.28Å
192E74.6Confident67.5Low129 Ų12954.3 Ų54.360%0.60329%0.286SS*.Hα-helixtrans-59.7-32.8174.2-82.4-157173.300113E188 P196E188-E192 PolarHBondContact O-N 3.31Å; E192-P196 WeakPolarHBondContact O-CD 3.1Å; E192-P196 VanDerWaalsContact O-CG 3.29Å; E192-P196 WeakPolarHBondContact O-CG 2.88Å
193L71.4Confident66.4Low20 Ų2053.8 Ų53.811%0.10527%0.274CS..Hα-helixtrans-93.7-39.6-170.6-167.8149.3000113.1L154 M158 V173 I177 E189 F190 V191L154-L193 HydrophobicContact CD2-CD2 4.17Å; M158-L193 HydrophobicContact CE-CD2 4.16Å; V173-L193 HydrophobicContact CG1-CD1 4.13Å; V173-L193 HydrophobicContact CG1-CD2 3.7Å; V173-L193 HydrophobicContact CG1-CG 4.5Å; V173-L193 HydrophobicContact CG2-CD2 4.08Å; I177-L193 HydrophobicContact CD1-CD1 3.83Å; I177-L193 HydrophobicContact CG1-CD1 3.65Å; E189-L193 VanDerWaalsContact O-CB 3.29Å; E189-L193 WeakPolarHBondContact O-CB 3.35Å; E189-L193 PolarHBondContact O-N 2.98Å; E189-L193 VanDerWaalsContact O-N 3.16Å; F190-L193 PolarHBondContact O-N 3.12Å; V191-L193 PolarHBondContact O-N 2.75Å
194I69.4Low65.2Low5 Ų561.3 Ų61.33%0.02630%0.302CS..Hα-helixtrans-83.2-41.4177.9-64-58.6000111.4L134 L154 M158 L161 F190 K197 L198L134-I194 HydrophobicContact CD2-CB 4.38Å; L134-I194 HydrophobicContact CD2-CG2 3.66Å; L154-I194 HydrophobicContact CD1-CD1 3.83Å; L154-I194 HydrophobicContact CD1-CG1 4.09Å; M158-I194 HydrophobicContact CE-CD1 3.41Å; M158-I194 VanDerWaalsContact CE-CD1 3.41Å; M158-I194 HydrophobicContact CG-CD1 3.61Å; M158-I194 HydrophobicContact SD-CD1 4.33Å; L161-I194 HydrophobicContact CD1-CG2 3.93Å; F190-I194 HydrophobicContact CD2-CG1 3.82Å; F190-I194 HydrophobicContact CE2-CD1 4.49Å; F190-I194 HydrophobicContact CE2-CG1 3.61Å; F190-I194 HydrophobicContact CG-CG1 4.37Å; F190-I194 HydrophobicContact CZ-CG1 3.98Å; F190-I194 WeakPolarHBondContact O-CB 3.46Å; F190-I194 PolarHBondContact O-N 2.77Å; I194-K197 PolarHBondContact O-N 2.98Å; I194-L198 HydrophobicContact CG2-CB 4.4Å; I194-L198 HydrophobicContact CG2-CD1 3.93Å; I194-L198 WeakPolarHBondContact O-CB 3.24Å; I194-L198 PolarHBondContact O-N 2.86Å
195G68.9Low63.8Low2 Ų261.8 Ų61.82%0.02131%0.311CS..Hα-helixtrans-49.7-47.1-175.800000114.6V191 R199V191-G195 WeakPolarHBondContact O-CA 3.35Å; V191-G195 PolarHBondContact O-N 3.28Å; G195-R199 VanDerWaalsContact O-CD 3.25Å; G195-R199 WeakPolarHBondContact O-CD 3.35Å; G195-R199 VanDerWaalsContact O-CG 3.31Å; G195-R199 WeakPolarHBondContact O-CG 3.46Å; G195-R199 PolarHBondContact O-NE 2.97Å
196P67.1Low62.8Low63 Ų6364 Ų6441%0.40932%0.323SS..Hα-helixtrans-65.9-40.3175.4-23.735.5000113.7E192 R199 E200E192-P196 WeakPolarHBondContact O-CD 3.1Å; E192-P196 VanDerWaalsContact O-CG 3.29Å; E192-P196 WeakPolarHBondContact O-CG 2.88Å; P196-R199 PolarHBondContact O-N 3.07Å; P196-R199 VanDerWaalsContact O-N 3.14Å; P196-E200 WeakPolarHBondContact O-CB 3.47Å; P196-E200 PolarHBondContact O-N 3.43Å
197K60.1Low61.6Low45 Ų4562.8 Ų62.820%0.19632%0.322CS..Hα-helixtrans-69-37.5179.9-79.8-175.6162.3-70.20112.3M158 Y163 E169 I194 R199 E200M158-K197 HydrophobicContact CE-CD 3.81Å; Y163-K197 HydrophobicContact CE1-CB 4.47Å; Y163-K197 HydrophobicContact CE1-CD 3.86Å; Y163-K197 PolarHBondContact OH-NZ 2.89Å; E169-K197 IonicContact OE1-NZ 2.84Å; E169-K197 PolarHBondContact OE1-NZ 3.3Å; I194-K197 PolarHBondContact O-N 2.98Å; K197-R199 PolarHBondContact O-N 2.86Å; K197-E200 PolarHBondContact O-N 2.83Å
198L60.4Low60.4Low52 Ų5264.7 Ų64.727%0.27234%0.338SS..Hα-helixtrans-68.73172.5-134.4165.6000113.2L134 L161 I194 T202L134-L198 HydrophobicContact CD2-CD1 4.01Å; L161-L198 HydrophobicContact CB-CD1 4.35Å; L161-L198 HydrophobicContact CD1-CD1 4.08Å; L161-L198 HydrophobicContact CD2-CD1 4.46Å; I194-L198 HydrophobicContact CG2-CB 4.4Å; I194-L198 HydrophobicContact CG2-CD1 3.93Å; I194-L198 WeakPolarHBondContact O-CB 3.24Å; I194-L198 PolarHBondContact O-N 2.86Å; L198-T202 WeakPolarHBondContact O-CB 3.45Å; L198-T202 PolarHBondContact O-OG1 3.21Å
199R60.9Low59.4Low47 Ų4762.6 Ų62.618%0.17732%0.324CS..Hα-helixtrans-119.6-28.2169.9-59.7159.4-175.1-169.8-7.8112.9K122 R124 G195 P196 K197K122-R199 WeakPolarHBondContact O-CD 3.45Å; K122-R199 PolarHBondContact O-NH1 3.41Å; R124-R199 PolarHBondContact O-NH1 2.81Å; R124-R199 PolarHBondContact O-NH2 3.38Å; G195-R199 VanDerWaalsContact O-CD 3.25Å; G195-R199 WeakPolarHBondContact O-CD 3.35Å; G195-R199 VanDerWaalsContact O-CG 3.31Å; G195-R199 WeakPolarHBondContact O-CG 3.46Å; G195-R199 PolarHBondContact O-NE 2.97Å; P196-R199 PolarHBondContact O-N 3.07Å; P196-R199 VanDerWaalsContact O-N 3.14Å; K197-R199 PolarHBondContact O-N 2.86Å
200E53.8Low58.8Low104 Ų10462 Ų6249%0.48632%0.321SS..Hα-helixtrans-73.3-38.3-171.4179.7146.5-115.900113.5K122 P196 K197K122-E200 IonicContact NZ-OE1 3.51Å; K122-E200 PolarHBondContact NZ-OE1 2.81Å; P196-E200 WeakPolarHBondContact O-CB 3.47Å; P196-E200 PolarHBondContact O-N 3.43Å; K197-E200 PolarHBondContact O-N 2.83Å
201E45.5Very low58.5Low103 Ų10362.4 Ų62.448%0.48132%0.323SS..THydrogen-bonded Turntrans-97.5-23.9173.7-64.3-155.6144.300113.7Y163 A203 H204Y163-E201 VanDerWaalsContact CD2-OE2 3.23Å; Y163-E201 WeakPolarHBondContact CD2-OE2 3.37Å; Y163-E201 HydrophobicContact CE2-CG 4.42Å; Y163-E201 VanDerWaalsContact CE2-OE2 3.28Å; Y163-E201 WeakPolarHBondContact CE2-OE2 3.49Å; E201-A203 PolarHBondContact O-N 2.89Å; E201-H204 PolarHBondContact O-N 2.95Å; E201-H204 VanDerWaalsContact O-N 3.12Å
202T45.3Very low58.2Low28 Ų2867.4 Ų67.417%0.17234%0.339CS..G310 helixtrans-64.3-13.3-174-400000113.5L198 H204 M205 L206L198-T202 WeakPolarHBondContact O-CB 3.45Å; L198-T202 PolarHBondContact O-OG1 3.21Å; T202-H204 PolarHBondContact O-N 2.82Å; T202-H204 VanDerWaalsContact O-N 3.1Å; T202-M205 WeakPolarHBondContact CG2-O 3.39Å; T202-M205 CarbonylContact O-C 3.6Å; T202-M205 PolarHBondContact O-N 3.33Å; T202-L206 HydrophobicContact CG2-CD2 4.49Å; T202-L206 PolarHBondContact O-N 3.47Å
203A44.7Very low58Low64 Ų6462.9 Ų62.953%0.52932%0.318SS..G310 helixtrans-56.6-21.7169.900000114.1E201E201-A203 PolarHBondContact O-N 2.89Å
204H41.6Very low58.1Low183 Ų18362 Ų6285%0.84731%0.314SS*.G310 helixtrans-106.4-2.9172.7-66.9-50.3000114.2E201 T202E201-H204 PolarHBondContact O-N 2.95Å; E201-H204 VanDerWaalsContact O-N 3.12Å; T202-H204 PolarHBondContact O-N 2.82Å; T202-H204 VanDerWaalsContact O-N 3.1Å
205M40.7Very low58.5Low125 Ų12562.4 Ų62.462%0.61632%0.315SS*.  trans-136.952.8175.1-68.2-161.4-61.400110.6T202 G207T202-M205 WeakPolarHBondContact CG2-O 3.39Å; T202-M205 CarbonylContact O-C 3.6Å; T202-M205 PolarHBondContact O-N 3.33Å; M205-G207 PolarHBondContact O-N 2.96Å
206L51.9Low59Low47 Ų4766 Ų6625%0.24633%0.329CS..  trans-62.2107.1168.4-70.9-179.6000108F120 T202 L211F120-L206 HydrophobicContact CB-CD2 4.25Å; F120-L206 HydrophobicContact CD1-CD1 3.84Å; F120-L206 HydrophobicContact CD1-CD2 3.38Å; F120-L206 HydrophobicContact CD1-CG 4.27Å; F120-L206 HydrophobicContact CD2-CD1 4.17Å; F120-L206 HydrophobicContact CE1-CD1 3.96Å; F120-L206 HydrophobicContact CE1-CD2 3.9Å; F120-L206 HydrophobicContact CE2-CD1 4.3Å; F120-L206 HydrophobicContact CG-CD1 3.94Å; F120-L206 HydrophobicContact CG-CD2 3.98Å; F120-L206 HydrophobicContact CZ-CD1 4.19Å; T202-L206 HydrophobicContact CG2-CD2 4.49Å; T202-L206 PolarHBondContact O-N 3.47Å; L206-L211 HydrophobicContact CB-CD1 4.3Å; L206-L211 HydrophobicContact CB-CD2 4.22Å; L206-L211 HydrophobicContact CB-CG 4.19Å; L206-L211 HydrophobicContact CD1-CD2 4.27Å; L206-L211 WeakPolarHBondContact O-CD1 3.49Å
207G53.8Low59.4Low25 Ų2568.3 Ų68.326%0.25833%0.334SS..  trans-66.1154.3-179.700000111.1M205 R209 E210 L211M205-G207 PolarHBondContact O-N 2.96Å; G207-R209 PolarHBondContact O-N 3.34Å; G207-E210 WeakPolarHBondContact CA-OE2 3.22Å; G207-E210 PolarHBondContact N-OE2 2.95Å; G207-E210 PolarHBondContact O-N 3.47Å; G207-E210 VanDerWaalsContact O-N 3.09Å; G207-L211 WeakPolarHBondContact O-CD1 3.3Å; G207-L211 WeakPolarHBondContact O-CG 3.12Å; G207-L211 PolarHBondContact O-N 3.11Å; G207-L211 VanDerWaalsContact O-N 3.11Å
208V53.4Low60.2Low95 Ų9566.3 Ų66.358%0.57633%0.325SS*.Hα-helixtrans-56.8-21.5175-179.50000111.2R212 F265V208-R212 VanDerWaalsContact O-CB 3.3Å; V208-R212 WeakPolarHBondContact O-CB 3.1Å; V208-R212 WeakPolarHBondContact O-CD 3.46Å; V208-R212 WeakPolarHBondContact O-CG 3.18Å; V208-R212 PolarHBondContact O-N 2.65Å; V208-R212 VanDerWaalsContact O-N 3.14Å; V208-F265 HydrophobicContact CG1-CE1 4.17Å; V208-F265 HydrophobicContact CG1-CZ 4.12Å
209R56.3Low61.3Low104 Ų10464.3 Ų64.339%0.39231%0.314SS..Hα-helixtrans-73.1-51.5174.3-179.6-175.961.1-173.210.3112.3E133 G207 L211 R212 I213E133-R209 WeakPolarHBondContact OE1-CD 3.47Å; E133-R209 IonicContact OE1-CZ 3.15Å; E133-R209 IonicContact OE1-NE 2.7Å; E133-R209 PolarHBondContact OE1-NE 3.38Å; E133-R209 IonicContact OE1-NH1 3.93Å; E133-R209 PolarHBondContact OE1-NH1 3.22Å; E133-R209 IonicContact OE2-CZ 3.99Å; E133-R209 IonicContact OE2-NE 2.66Å; E133-R209 IonicContact OE2-NH1 3.53Å; E133-R209 PolarHBondContact OE2-NH1 3.3Å; E133-R209 IonicContact OE2-NH2 2.83Å; E133-R209 PolarHBondContact OE2-NH2 3.24Å; G207-R209 PolarHBondContact O-N 3.34Å; R209-L211 VanDerWaalsContact C-N 3.27Å; R209-L211 PolarHBondContact O-N 2.92Å; R209-R212 CarbonylContact O-C 3.53Å; R209-R212 WeakPolarHBondContact O-CA 2.98Å; R209-R212 WeakPolarHBondContact O-CB 3.19Å; R209-R212 PolarHBondContact O-N 3.06Å; R209-I213 HydrophobicContact CG-CD1 4.04Å; R209-I213 WeakPolarHBondContact O-CG1 3.14Å; R209-I213 PolarHBondContact O-N 3.16Å
210E65.2Low62.3Low31 Ų3168.3 Ų68.315%0.14533%0.33CS..Hα-helixtrans-60.8-42.1-179.8-68.259.2-132.600110G207 R212 I213 A214G207-E210 WeakPolarHBondContact CA-OE2 3.22Å; G207-E210 PolarHBondContact N-OE2 2.95Å; G207-E210 PolarHBondContact O-N 3.47Å; G207-E210 VanDerWaalsContact O-N 3.09Å; E210-R212 VanDerWaalsContact C-N 3.34Å; E210-R212 PolarHBondContact O-N 3.14Å; E210-I213 PolarHBondContact O-N 3.15Å; E210-A214 WeakPolarHBondContact O-CB 3.35Å; E210-A214 PolarHBondContact O-N 3.46Å
211L68.6Low63.8Low9 Ų969 Ų695%0.04734%0.337CS..Hα-helixtrans-60.3-41172.7-63.8163.4000111.5F120 L206 G207 R209 F215 F265 V269 L272F120-L211 HydrophobicContact CZ-CD2 4.3Å; L206-L211 HydrophobicContact CB-CD1 4.3Å; L206-L211 HydrophobicContact CB-CD2 4.22Å; L206-L211 HydrophobicContact CB-CG 4.19Å; L206-L211 HydrophobicContact CD1-CD2 4.27Å; L206-L211 WeakPolarHBondContact O-CD1 3.49Å; G207-L211 WeakPolarHBondContact O-CD1 3.3Å; G207-L211 WeakPolarHBondContact O-CG 3.12Å; G207-L211 PolarHBondContact O-N 3.11Å; G207-L211 VanDerWaalsContact O-N 3.11Å; R209-L211 VanDerWaalsContact C-N 3.27Å; R209-L211 PolarHBondContact O-N 2.92Å; L211-F215 VanDerWaalsContact O-CB 3.3Å; L211-F215 WeakPolarHBondContact O-CB 3.43Å; L211-F215 PolarHBondContact O-N 2.86Å; L211-F265 HydrophobicContact CB-CE2 4.05Å; L211-F265 HydrophobicContact CB-CZ 3.97Å; L211-V269 HydrophobicContact CB-CG2 4.16Å; L211-V269 HydrophobicContact CD1-CG1 4.36Å; L211-V269 HydrophobicContact CD1-CG2 4.01Å; L211-V269 HydrophobicContact CD2-CG2 4.5Å; L211-V269 HydrophobicContact CG-CG2 4.45Å; L211-L272 HydrophobicContact CD2-CB 4.27Å; L211-L272 HydrophobicContact CD2-CD1 3.4Å; L211-L272 HydrophobicContact CD2-CG 4.46Å
212R68.8Low65.7Low134 Ų13472.5 Ų72.551%0.50635%0.346SS..Hα-helixtrans-74.3-24.2175.7-78.3165.560-136.9-0.2114.5V208 R209 E210 R216 F265V208-R212 VanDerWaalsContact O-CB 3.3Å; V208-R212 WeakPolarHBondContact O-CB 3.1Å; V208-R212 WeakPolarHBondContact O-CD 3.46Å; V208-R212 WeakPolarHBondContact O-CG 3.18Å; V208-R212 PolarHBondContact O-N 2.65Å; V208-R212 VanDerWaalsContact O-N 3.14Å; R209-R212 CarbonylContact O-C 3.53Å; R209-R212 WeakPolarHBondContact O-CA 2.98Å; R209-R212 WeakPolarHBondContact O-CB 3.19Å; R209-R212 PolarHBondContact O-N 3.06Å; E210-R212 VanDerWaalsContact C-N 3.34Å; E210-R212 PolarHBondContact O-N 3.14Å; R212-R216 WeakPolarHBondContact O-CB 3.31Å; R212-R216 PolarHBondContact O-N 3.19Å; R212-F265 HydrophobicContact CB-CE2 4.26Å; R212-F265 HydrophobicContact CG-CD2 4.09Å; R212-F265 HydrophobicContact CG-CE1 4.33Å; R212-F265 HydrophobicContact CG-CE2 3.43Å; R212-F265 VanDerWaalsContact CG-CE2 3.43Å; R212-F265 HydrophobicContact CG-CZ 3.56Å
213I70.8Confident67.7Low35 Ų3576 Ų7618%0.17936%0.363CS..Hα-helixtrans-73.9-50.7172.6-69.3167.6000108.4E129 R209 E210 F215 R216 E217E129-I213 HydrophobicContact CB-CD1 4.36Å; R209-I213 HydrophobicContact CG-CD1 4.04Å; R209-I213 WeakPolarHBondContact O-CG1 3.14Å; R209-I213 PolarHBondContact O-N 3.16Å; E210-I213 PolarHBondContact O-N 3.15Å; I213-F215 PolarHBondContact O-N 3.46Å; I213-R216 PolarHBondContact O-N 2.84Å; I213-R216 VanDerWaalsContact O-N 3.16Å; I213-E217 PolarHBondContact O-N 2.76Å
214A72.6Confident69.6Low2 Ų274.6 Ų74.62%0.01736%0.355CS..Hα-helixtrans-54.3-50.8174.800000111.6V119 F120 E210 R216 E217 F218 F268V119-A214 HydrophobicContact CG1-CB 3.55Å; F120-A214 HydrophobicContact CE1-CB 4.33Å; F120-A214 HydrophobicContact CZ-CB 3.92Å; E210-A214 WeakPolarHBondContact O-CB 3.35Å; E210-A214 PolarHBondContact O-N 3.46Å; A214-R216 VanDerWaalsContact C-N 3.28Å; A214-R216 PolarHBondContact O-N 3.12Å; A214-E217 WeakPolarHBondContact O-CB 3.18Å; A214-E217 PolarHBondContact O-N 3.2Å; A214-F218 WeakPolarHBondContact O-CD2 3.25Å; A214-F268 HydrophobicContact CB-CE1 4.01Å; A214-F268 HydrophobicContact CB-CZ 3.95Å
215F77.3Confident71.9Confident12 Ų1270 Ų705%0.05333%0.33CS..Hα-helixtrans-53-44.3177.4-170-87.1000112.5L211 I213 E217 F218 D219 G224 I226 F265 F268L211-F215 VanDerWaalsContact O-CB 3.3Å; L211-F215 WeakPolarHBondContact O-CB 3.43Å; L211-F215 PolarHBondContact O-N 2.86Å; I213-F215 PolarHBondContact O-N 3.46Å; F215-E217 PolarHBondContact O-N 3.38Å; F215-F218 PolarHBondContact O-N 2.93Å; F215-F218 VanDerWaalsContact O-N 3.1Å; F215-D219 HydrophobicContact CD1-CB 3.95Å; F215-D219 HydrophobicContact CE1-CB 3.8Å; F215-D219 WeakPolarHBondContact O-CB 3.25Å; F215-D219 PolarHBondContact O-N 3.21Å; F215-G224 VanDerWaalsContact CZ-O 3.3Å; F215-G224 WeakPolarHBondContact CZ-O 3.46Å; F215-I226 HydrophobicContact CD2-CD1 3.58Å; F215-I226 HydrophobicContact CD2-CG1 4.21Å; F215-I226 HydrophobicContact CE1-CG1 4.31Å; F215-I226 HydrophobicContact CE2-CD1 3.51Å; F215-I226 HydrophobicContact CE2-CG1 3.77Å; F215-I226 HydrophobicContact CG-CD1 4.22Å; F215-I226 HydrophobicContact CZ-CD1 4.11Å; F215-I226 HydrophobicContact CZ-CG1 3.84Å; F215-F265 HydrophobicContact CB-CD2 4.13Å; F215-F265 HydrophobicContact CB-CE2 4.43Å; F215-F265 HydrophobicContact CD2-CB 4.42Å; F215-F265 AromaticContact CD2-CD2 3.92Å; F215-F265 HydrophobicContact CD2-CD2 3.92Å; F215-F265 HydrophobicContact CE2-CB 4.21Å; F215-F265 AromaticContact CG-CD2 3.98Å; F215-F265 HydrophobicContact CG-CD2 3.98Å; F215-F265 HydrophobicContact CZ-CB 4.46Å; F215-F268 HydrophobicContact CB-CD1 4.2Å; F215-F268 HydrophobicContact CB-CE1 4.12Å; F215-F268 HydrophobicContact CD2-CB 3.72Å; F215-F268 AromaticContact CD2-CD1 3.86Å; F215-F268 HydrophobicContact CD2-CD1 3.86Å; F215-F268 HydrophobicContact CD2-CD2 4.19Å; F215-F268 HydrophobicContact CD2-CE1 4.48Å; F215-F268 AromaticContact CD2-CG 3.69Å; F215-F268 HydrophobicContact CD2-CG 3.69Å; F215-F268 HydrophobicContact CE2-CB 3.97Å; F215-F268 HydrophobicContact CE2-CG 4.36Å
216R79.7Confident74Confident79 Ų7964.1 Ų64.130%0.29830%0.302SS..Hα-helixtrans-71.5-6.3179-159.2-161.9-55.61509.8114.3E129 R212 I213 A214E129-R216 IonicContact OE1-NH1 2.66Å; E129-R216 PolarHBondContact OE1-NH1 3.01Å; E129-R216 IonicContact OE2-CZ 3.4Å; E129-R216 IonicContact OE2-NH1 3.25Å; E129-R216 PolarHBondContact OE2-NH1 2.7Å; R212-R216 WeakPolarHBondContact O-CB 3.31Å; R212-R216 PolarHBondContact O-N 3.19Å; I213-R216 PolarHBondContact O-N 2.84Å; I213-R216 VanDerWaalsContact O-N 3.16Å; A214-R216 VanDerWaalsContact C-N 3.28Å; A214-R216 PolarHBondContact O-N 3.12Å
217E76.7Confident75.7Confident110 Ų11064 Ų6451%0.51430%0.303SS..Hα-helixtrans-89.1-24.1170.6-163.1173.6-177.200111.7I213 A214 F215I213-E217 PolarHBondContact O-N 2.76Å; A214-E217 WeakPolarHBondContact O-CB 3.18Å; A214-E217 PolarHBondContact O-N 3.2Å; F215-E217 PolarHBondContact O-N 3.38Å
218F77.1Confident77Confident4 Ų465.2 Ų65.22%0.01831%0.305CS..Hα-helixtrans-85.8-53.1168.4-60.2-92.2000111.6L115 A214 F215 R220 I226 E230 L231 A234 L238 F268L115-F218 HydrophobicContact CD1-CE1 3.91Å; L115-F218 HydrophobicContact CD1-CZ 3.7Å; L115-F218 HydrophobicContact CD2-CZ 4.19Å; L115-F218 HydrophobicContact CG-CZ 4.05Å; A214-F218 WeakPolarHBondContact O-CD2 3.25Å; F215-F218 PolarHBondContact O-N 2.93Å; F215-F218 VanDerWaalsContact O-N 3.1Å; F218-R220 WeakPolarHBondContact O-CG 3.08Å; F218-R220 PolarHBondContact O-N 2.96Å; F218-R220 VanDerWaalsContact O-N 3.08Å; F218-I226 HydrophobicContact CB-CB 4.41Å; F218-I226 HydrophobicContact CB-CD1 3.53Å; F218-I226 HydrophobicContact CB-CG1 3.68Å; F218-I226 HydrophobicContact CB-CG2 3.83Å; F218-I226 HydrophobicContact CD2-CD1 4.19Å; F218-I226 HydrophobicContact CG-CD1 3.97Å; F218-E230 WeakPolarHBondContact O-CB 3.42Å; F218-L231 HydrophobicContact CD1-CD1 3.81Å; F218-L231 HydrophobicContact CE1-CD1 4Å; F218-A234 HydrophobicContact CD1-CB 3.6Å; F218-A234 HydrophobicContact CE1-CB 4.13Å; F218-A234 HydrophobicContact CG-CB 4.29Å; F218-L238 HydrophobicContact CD1-CD1 4.18Å; F218-L238 HydrophobicContact CE1-CD1 3.37Å; F218-L238 HydrophobicContact CE2-CD1 4.02Å; F218-L238 HydrophobicContact CZ-CD1 3.27Å; F218-F268 AromaticContact CD2-CE2 3.83Å; F218-F268 HydrophobicContact CD2-CE2 3.83Å; F218-F268 HydrophobicContact CD2-CZ 4.05Å; F218-F268 AromaticContact CE2-CE2 3.65Å; F218-F268 HydrophobicContact CE2-CE2 3.65Å; F218-F268 AromaticContact CE2-CZ 3.75Å; F218-F268 HydrophobicContact CE2-CZ 3.75Å; F218-F268 HydrophobicContact CZ-CE2 4.34Å
219D83.6Confident78.5Confident9 Ų963.7 Ų63.75%0.04830%0.303CS..  trans-66.599.8177.9173.57.6000109.9F215 R222 D223 G224 I226F215-D219 HydrophobicContact CD1-CB 3.95Å; F215-D219 HydrophobicContact CE1-CB 3.8Å; F215-D219 WeakPolarHBondContact O-CB 3.25Å; F215-D219 PolarHBondContact O-N 3.21Å; D219-R222 WeakPolarHBondContact OD1-CA 3.31Å; D219-R222 PolarHBondContact OD1-N 2.96Å; D219-D223 PolarHBondContact OD1-N 2.95Å; D219-G224 WeakPolarHBondContact OD2-CA 3.38Å; D219-G224 PolarHBondContact OD2-N 3.07Å; D219-I226 HydrophobicContact CB-CG1 4.35Å
220R81.1Confident79.8Confident131 Ų13159.5 Ų59.549%0.49429%0.288SS..SBendtrans-90.3-35.8-170.5-77.2-172.5173.1-165.2-2.2112.8F218 E230 E233F218-R220 WeakPolarHBondContact O-CG 3.08Å; F218-R220 PolarHBondContact O-N 2.96Å; F218-R220 VanDerWaalsContact O-N 3.08Å; R220-E230 HydrophobicContact CB-CG 4.25Å; R220-E230 PolarHBondContact N-OE1 2.99Å; R220-E233 IonicContact CZ-OE2 3.68Å; R220-E233 IonicContact NE-OE2 3.46Å; R220-E233 IonicContact NH1-OE2 2.7Å; R220-E233 PolarHBondContact NH1-OE2 2.69Å; R220-E233 PolarHBondContact NH2-O 2.83Å
221D85.3Confident80.4Confident119 Ų11958.8 Ų58.864%0.63629%0.285SS*.SBendtrans-90.8-13.5178.778.815.8000113.8D223D221-D223 WeakPolarHBondContact OD1-CB 3.25Å; D221-D223 PolarHBondContact OD1-N 3.33Å; D221-D223 VanDerWaalsContact OD1-N 3.15Å
222R85.6Confident80.8Confident177 Ų17765.7 Ų65.767%0.66831%0.31SS*.  trans73.334.4175.1-54.8-177.8177.9-170.4-2.4114D219 G224D219-R222 WeakPolarHBondContact OD1-CA 3.31Å; D219-R222 PolarHBondContact OD1-N 2.96Å; R222-G224 VanDerWaalsContact C-N 3.28Å
223D86.9Confident81.3Confident100 Ų10064.6 Ų64.654%0.53531%0.311SS..SBendtrans-75.4-14.617195.7-20.9000113.8D219 D221 R225D219-D223 PolarHBondContact OD1-N 2.95Å; D221-D223 WeakPolarHBondContact OD1-CB 3.25Å; D221-D223 PolarHBondContact OD1-N 3.33Å; D221-D223 VanDerWaalsContact OD1-N 3.15Å; D223-R225 WeakPolarHBondContact OD1-CA 3.43Å; D223-R225 VanDerWaalsContact OD1-CB 3.26Å; D223-R225 WeakPolarHBondContact OD1-CB 3.45Å; D223-R225 PolarHBondContact OD1-N 3.41Å
224G84.6Confident81.4Confident36 Ų3663.1 Ų63.137%0.37130%0.304SS..SBendtrans94.914.6-179.200000114.7F215 D219 R222F215-G224 VanDerWaalsContact CZ-O 3.3Å; F215-G224 WeakPolarHBondContact CZ-O 3.46Å; D219-G224 WeakPolarHBondContact OD2-CA 3.38Å; D219-G224 PolarHBondContact OD2-N 3.07Å; R222-G224 VanDerWaalsContact C-N 3.28Å
225R89.2Confident81.2Confident85 Ų8563 Ų6332%0.32130%0.303SS..EExtended strand (participates in β ladder)trans-131.4162.7176.4-62.1167.7164.6-86-4.4109.7D223 D260 T262D223-R225 WeakPolarHBondContact OD1-CA 3.43Å; D223-R225 VanDerWaalsContact OD1-CB 3.26Å; D223-R225 WeakPolarHBondContact OD1-CB 3.45Å; D223-R225 PolarHBondContact OD1-N 3.41Å; R225-D260 IonicContact CZ-OD2 2.92Å; R225-D260 VanDerWaalsContact NH1-CG 3.31Å; R225-D260 IonicContact NH1-OD1 3.61Å; R225-D260 PolarHBondContact NH1-OD1 3.33Å; R225-D260 IonicContact NH1-OD2 2.66Å; R225-D260 PolarHBondContact NH1-OD2 2.65Å; R225-D260 IonicContact NH2-OD2 3.42Å; R225-D260 PolarHBondContact NH2-OD2 3.26Å; R225-T262 PolarHBondContact NH1-OG1 2.86Å
226I86.6Confident80.8Confident2 Ų264.8 Ų64.81%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-115.6114.6172.1-59.7165000108.3F215 F218 D219 L231 T262 V263 F268F215-I226 HydrophobicContact CD2-CD1 3.58Å; F215-I226 HydrophobicContact CD2-CG1 4.21Å; F215-I226 HydrophobicContact CE1-CG1 4.31Å; F215-I226 HydrophobicContact CE2-CD1 3.51Å; F215-I226 HydrophobicContact CE2-CG1 3.77Å; F215-I226 HydrophobicContact CG-CD1 4.22Å; F215-I226 HydrophobicContact CZ-CD1 4.11Å; F215-I226 HydrophobicContact CZ-CG1 3.84Å; F218-I226 HydrophobicContact CB-CB 4.41Å; F218-I226 HydrophobicContact CB-CD1 3.53Å; F218-I226 HydrophobicContact CB-CG1 3.68Å; F218-I226 HydrophobicContact CB-CG2 3.83Å; F218-I226 HydrophobicContact CD2-CD1 4.19Å; F218-I226 HydrophobicContact CG-CD1 3.97Å; D219-I226 HydrophobicContact CB-CG1 4.35Å; I226-L231 HydrophobicContact CG2-CB 3.96Å; I226-L231 HydrophobicContact CG2-CD1 4.18Å; I226-T262 WeakPolarHBondContact O-CA 3.5Å; I226-V263 HydrophobicContact CB-CB 4.32Å; I226-V263 PolarHBondContact N-O 2.93Å; I226-V263 PolarHBondContact O-N 3.23Å; I226-F268 HydrophobicContact CD1-CD2 3.79Å; I226-F268 HydrophobicContact CD1-CE2 4.1Å; I226-F268 HydrophobicContact CD1-CG 4.49Å
227T86.4Confident80.1Confident46 Ų4663.5 Ų63.528%0.28232%0.322SS..EExtended strand (participates in β ladder)trans-83.7159.817667.80000112.3A229 E230 L231 T262T227-A229 PolarHBondContact O-N 2.77Å; T227-A229 VanDerWaalsContact O-N 3.13Å; T227-E230 VanDerWaalsContact CB-OE2 3.3Å; T227-E230 WeakPolarHBondContact CB-OE2 3.4Å; T227-E230 WeakPolarHBondContact CG2-OE2 3.39Å; T227-E230 PolarHBondContact N-OE2 3.31Å; T227-E230 PolarHBondContact O-N 2.84Å; T227-E230 WeakPolarHBondContact OG1-CG 3.4Å; T227-E230 PolarHBondContact OG1-N 3.32Å; T227-E230 PolarHBondContact OG1-OE2 2.81Å; T227-L231 VanDerWaalsContact O-CB 3.24Å; T227-L231 WeakPolarHBondContact O-CB 3.28Å; T227-L231 PolarHBondContact O-N 3.21Å; T227-T262 HydrophobicContact CG2-CG2 4.08Å
228V82.5Confident79.3Confident49 Ų4958.5 Ų58.530%0.29730%0.299SS..Hα-helixtrans-53.5-32.6171.4179.70000112.5R232 L252V228-R232 WeakPolarHBondContact O-CB 3.36Å; V228-R232 PolarHBondContact O-N 2.68Å; V228-R232 VanDerWaalsContact O-N 3.13Å; V228-L252 HydrophobicContact CG2-CD1 3.95Å; V228-L252 HydrophobicContact CG2-CD2 3.55Å; V228-L252 HydrophobicContact CG2-CG 4.26Å
229A82.9Confident78.5Confident64 Ų6459.9 Ų59.953%0.52931%0.306SS..Hα-helixtrans-69.1-49.6179.500000111.3T227 R232 E233T227-A229 PolarHBondContact O-N 2.77Å; T227-A229 VanDerWaalsContact O-N 3.13Å; A229-R232 WeakPolarHBondContact O-CB 3.4Å; A229-R232 PolarHBondContact O-N 3.2Å; A229-E233 WeakPolarHBondContact O-CG 3.24Å; A229-E233 PolarHBondContact O-N 2.87Å
230E85.3Confident77.2Confident15 Ų1562 Ų627%0.0733%0.33CS..Hα-helixtrans-69.2-42-180-66.6162.5111.600112.1F218 R220 T227 R232 E233 A234F218-E230 WeakPolarHBondContact O-CB 3.42Å; R220-E230 HydrophobicContact CB-CG 4.25Å; R220-E230 PolarHBondContact N-OE1 2.99Å; T227-E230 VanDerWaalsContact CB-OE2 3.3Å; T227-E230 WeakPolarHBondContact CB-OE2 3.4Å; T227-E230 WeakPolarHBondContact CG2-OE2 3.39Å; T227-E230 PolarHBondContact N-OE2 3.31Å; T227-E230 PolarHBondContact O-N 2.84Å; T227-E230 WeakPolarHBondContact OG1-CG 3.4Å; T227-E230 PolarHBondContact OG1-N 3.32Å; T227-E230 PolarHBondContact OG1-OE2 2.81Å; E230-R232 PolarHBondContact O-N 3.23Å; E230-E233 CarbonylContact O-C 3.52Å; E230-E233 WeakPolarHBondContact O-CA 3.28Å; E230-E233 PolarHBondContact O-N 3.41Å; E230-A234 WeakPolarHBondContact O-CB 3.23Å; E230-A234 PolarHBondContact O-N 3.36Å
231L77.9Confident76.4Confident16 Ų1662.6 Ų62.68%0.08434%0.338CS..Hα-helixtrans-53.9-42.9173.3-16955000110.6F218 I226 T227 A234 V235 L248 M251 L252F218-L231 HydrophobicContact CD1-CD1 3.81Å; F218-L231 HydrophobicContact CE1-CD1 4Å; I226-L231 HydrophobicContact CG2-CB 3.96Å; I226-L231 HydrophobicContact CG2-CD1 4.18Å; T227-L231 VanDerWaalsContact O-CB 3.24Å; T227-L231 WeakPolarHBondContact O-CB 3.28Å; T227-L231 PolarHBondContact O-N 3.21Å; L231-A234 PolarHBondContact O-N 3.24Å; L231-V235 HydrophobicContact CD1-CG2 4.42Å; L231-V235 WeakPolarHBondContact O-CB 2.97Å; L231-V235 WeakPolarHBondContact O-CG2 3.28Å; L231-V235 PolarHBondContact O-N 3.13Å; L231-L248 HydrophobicContact CG-CD2 4.37Å; L231-M251 HydrophobicContact CD1-CE 3.58Å; L231-M251 HydrophobicContact CD2-CE 3.48Å; L231-M251 VanDerWaalsContact CD2-CE 3.48Å; L231-M251 HydrophobicContact CG-CE 3.48Å; L231-M251 VanDerWaalsContact CG-CE 3.48Å; L231-L252 HydrophobicContact CD2-CD1 3.92Å
232R76.4Confident75.2Confident154 Ų15461.2 Ų61.258%0.58134%0.335SS*.Hα-helixtrans-71.4-22.3175.5-175.6172.4-177.3-160.7-1.2114.6V228 A229 E230 P236 L248V228-R232 WeakPolarHBondContact O-CB 3.36Å; V228-R232 PolarHBondContact O-N 2.68Å; V228-R232 VanDerWaalsContact O-N 3.13Å; A229-R232 WeakPolarHBondContact O-CB 3.4Å; A229-R232 PolarHBondContact O-N 3.2Å; E230-R232 PolarHBondContact O-N 3.23Å; R232-P236 WeakPolarHBondContact O-CD 3.31Å; R232-P236 WeakPolarHBondContact O-CG 3.29Å; R232-L248 HydrophobicContact CB-CD1 3.85Å; R232-L248 HydrophobicContact CG-CD1 3.63Å
233E78.3Confident74.3Confident112 Ų11254.1 Ų54.152%0.52331%0.311SS..Hα-helixtrans-89.6-25.3173.9-70-166.8156.500113.6R220 A229 E230R220-E233 IonicContact CZ-OE2 3.68Å; R220-E233 IonicContact NE-OE2 3.46Å; R220-E233 IonicContact NH1-OE2 2.7Å; R220-E233 PolarHBondContact NH1-OE2 2.69Å; R220-E233 PolarHBondContact NH2-O 2.83Å; A229-E233 WeakPolarHBondContact O-CG 3.24Å; A229-E233 PolarHBondContact O-N 2.87Å; E230-E233 CarbonylContact O-C 3.52Å; E230-E233 WeakPolarHBondContact O-CA 3.28Å; E230-E233 PolarHBondContact O-N 3.41Å
234A73.3Confident73.4Confident3 Ų351.4 Ų51.43%0.02530%0.302CS..Hα-helixtrans-85.1-42.2175.900000112F218 E230 L231 P236 A237 L238F218-A234 HydrophobicContact CD1-CB 3.6Å; F218-A234 HydrophobicContact CE1-CB 4.13Å; F218-A234 HydrophobicContact CG-CB 4.29Å; E230-A234 WeakPolarHBondContact O-CB 3.23Å; E230-A234 PolarHBondContact O-N 3.36Å; L231-A234 PolarHBondContact O-N 3.24Å; A234-P236 VanDerWaalsContact C-CD 3.49Å; A234-A237 WeakPolarHBondContact O-CB 3.41Å; A234-A237 PolarHBondContact O-N 3.28Å; A234-L238 HydrophobicContact CB-CD1 4.17Å; A234-L238 WeakPolarHBondContact O-CG 3.29Å; A234-L238 PolarHBondContact O-N 3.38Å; A234-L238 VanDerWaalsContact O-N 3.08Å
235V69.3Low72.8Confident1 Ų151 Ų511%0.00630%0.299CS..Hα-helixtrans-46.7-47.6179.5149.60000114.2L231 A237 L238 L239 L243 L248 M251L231-V235 HydrophobicContact CD1-CG2 4.42Å; L231-V235 WeakPolarHBondContact O-CB 2.97Å; L231-V235 WeakPolarHBondContact O-CG2 3.28Å; L231-V235 PolarHBondContact O-N 3.13Å; V235-A237 VanDerWaalsContact C-N 3.3Å; V235-A237 PolarHBondContact O-N 2.91Å; V235-L238 PolarHBondContact O-N 2.88Å; V235-L238 VanDerWaalsContact O-N 3.12Å; V235-L239 HydrophobicContact CG1-CD1 3.98Å; V235-L239 HydrophobicContact CG1-CG 4.43Å; V235-L239 WeakPolarHBondContact O-CB 3.32Å; V235-L239 PolarHBondContact O-N 3.2Å; V235-L243 HydrophobicContact CG1-CB 3.94Å; V235-L243 HydrophobicContact CG1-CD1 3.81Å; V235-L243 HydrophobicContact CG1-CG 3.64Å; V235-L243 HydrophobicContact CG2-CD1 4.14Å; V235-L248 HydrophobicContact CG2-CD2 4.13Å; V235-M251 HydrophobicContact CG2-CE 4.07Å
236P67.9Low72.1Confident48 Ų4851.4 Ų51.431%0.31231%0.312SS..Hα-helixtrans-66.4-30.5-179.6-19.632.1000113.2R232 A234 L238 G240 P242R232-P236 WeakPolarHBondContact O-CD 3.31Å; R232-P236 WeakPolarHBondContact O-CG 3.29Å; A234-P236 VanDerWaalsContact C-CD 3.49Å; P236-L238 VanDerWaalsContact C-N 3.35Å; P236-G240 CarbonylContact O-C 3.47Å; P236-G240 VanDerWaalsContact O-CA 3.27Å; P236-G240 WeakPolarHBondContact O-CA 3.36Å; P236-G240 PolarHBondContact O-N 3.32Å; P236-P242 HydrophobicContact CB-CB 4.31Å; P236-P242 HydrophobicContact CG-CB 4.02Å
237A65Low71.4Confident52 Ų5255.9 Ų55.943%0.4333%0.333SS..Hα-helixtrans-73.6-29.617500000111.9R118 A234 V235R118-A237 PolarHBondContact NH1-O 2.99Å; A234-A237 WeakPolarHBondContact O-CB 3.41Å; A234-A237 PolarHBondContact O-N 3.28Å; V235-A237 VanDerWaalsContact C-N 3.3Å; V235-A237 PolarHBondContact O-N 2.91Å
238L61Low70.8Confident6 Ų653.9 Ų53.93%0.03132%0.32CS..Hα-helixtrans-93.3-44.9-173.9-64.9170.5000113.3L115 R118 V119 F218 A234 V235 P236L115-L238 HydrophobicContact CB-CB 4.24Å; L115-L238 HydrophobicContact CD1-CB 4.42Å; L115-L238 HydrophobicContact CD1-CD1 4.3Å; L115-L238 HydrophobicContact CG-CB 4.15Å; L115-L238 HydrophobicContact CG-CD1 4.26Å; R118-L238 WeakPolarHBondContact CD-O 3.28Å; V119-L238 HydrophobicContact CG2-CD2 4.04Å; F218-L238 HydrophobicContact CD1-CD1 4.18Å; F218-L238 HydrophobicContact CE1-CD1 3.37Å; F218-L238 HydrophobicContact CE2-CD1 4.02Å; F218-L238 HydrophobicContact CZ-CD1 3.27Å; A234-L238 HydrophobicContact CB-CD1 4.17Å; A234-L238 WeakPolarHBondContact O-CG 3.29Å; A234-L238 PolarHBondContact O-N 3.38Å; A234-L238 VanDerWaalsContact O-N 3.08Å; V235-L238 PolarHBondContact O-N 2.88Å; V235-L238 VanDerWaalsContact O-N 3.12Å; P236-L238 VanDerWaalsContact C-N 3.35Å
239L59.1Low70.5Confident33 Ų3355.5 Ų55.517%0.17333%0.328CS..Hα-helixtrans-85.2-17.3176.2-60-174.6000113.7T111 P114 L115 V235 E241 L243T111-L239 WeakPolarHBondContact O-CD1 3.38Å; T111-L239 WeakPolarHBondContact O-CD2 3.39Å; P114-L239 HydrophobicContact CB-CD2 3.72Å; P114-L239 HydrophobicContact CG-CD2 3.99Å; L115-L239 HydrophobicContact CB-CD2 3.42Å; L115-L239 VanDerWaalsContact CB-CD2 3.42Å; L115-L239 HydrophobicContact CB-CG 4.32Å; L115-L239 VanDerWaalsContact N-CD2 3.31Å; V235-L239 HydrophobicContact CG1-CD1 3.98Å; V235-L239 HydrophobicContact CG1-CG 4.43Å; V235-L239 WeakPolarHBondContact O-CB 3.32Å; V235-L239 PolarHBondContact O-N 3.2Å; L239-E241 PolarHBondContact O-N 2.99Å; L239-L243 HydrophobicContact CD1-CD1 3.86Å; L239-L243 HydrophobicContact CD1-CD2 3.99Å; L239-L243 HydrophobicContact CD1-CG 3.77Å
240G58Low70.2Confident53 Ų5358.4 Ų58.455%0.54633%0.33SS..SBendtrans79.3-19.6-17400000114.6P236P236-G240 CarbonylContact O-C 3.47Å; P236-G240 VanDerWaalsContact O-CA 3.27Å; P236-G240 WeakPolarHBondContact O-CA 3.36Å; P236-G240 PolarHBondContact O-N 3.32Å
241E62.3Low69.6Low144 Ų14458.2 Ų58.267%0.67333%0.329SS*.SBendtrans-120.7145.6173.2-71.7-70.8173.400110.1L239L239-E241 PolarHBondContact O-N 2.99Å
242P61.5Low69.6Low89 Ų8958.2 Ų58.258%0.57833%0.329SS*.PPolyproline II helixtrans-80.2120.6176.131.7-31.8000111.3P236P236-P242 HydrophobicContact CB-CB 4.31Å; P236-P242 HydrophobicContact CG-CB 4.02Å
243L65.6Low69.7Low28 Ų2860.7 Ų60.715%0.14734%0.339CS..PPolyproline II helixtrans-60.8146.1169.5-67.8174.4000111.4T111 V235 L239 E247 L248 M251T111-L243 HydrophobicContact CG2-CD1 3.76Å; T111-L243 HydrophobicContact CG2-CD2 4.22Å; V235-L243 HydrophobicContact CG1-CB 3.94Å; V235-L243 HydrophobicContact CG1-CD1 3.81Å; V235-L243 HydrophobicContact CG1-CG 3.64Å; V235-L243 HydrophobicContact CG2-CD1 4.14Å; L239-L243 HydrophobicContact CD1-CD1 3.86Å; L239-L243 HydrophobicContact CD1-CD2 3.99Å; L239-L243 HydrophobicContact CD1-CG 3.77Å; L243-E247 HydrophobicContact CB-CB 4.34Å; L243-E247 HydrophobicContact CD2-CB 4.42Å; L243-L248 HydrophobicContact CB-CD1 4.23Å; L243-L248 HydrophobicContact CB-CD2 4.16Å; L243-L248 HydrophobicContact CB-CG 3.82Å; L243-L248 HydrophobicContact CD1-CD2 4.02Å; L243-L248 HydrophobicContact CD1-CG 4.38Å; L243-M251 HydrophobicContact CD1-CE 4.4Å; L243-M251 HydrophobicContact CD1-SD 3.63Å
244A68.7Low69.6Low43 Ų4359 Ų5936%0.35533%0.33SS..PPolyproline II helixtrans-70.3154.3173.100000111.1P246 E247 L248A244-P246 HydrophobicContact CB-CG 4.31Å; A244-E247 HydrophobicContact CB-CG 4.13Å; A244-E247 WeakPolarHBondContact CB-OE2 3.44Å; A244-E247 PolarHBondContact N-OE2 2.94Å; A244-E247 WeakPolarHBondContact O-CB 3.33Å; A244-E247 PolarHBondContact O-N 2.84Å; A244-L248 PolarHBondContact O-N 2.59Å
245G71.2Confident69.7Low29 Ų2959.3 Ų59.330%0.29933%0.332SS..Hα-helixtrans-45.8-53.1174.500000114.9E247 L248 D249G245-E247 VanDerWaalsContact C-N 3.27Å; G245-E247 PolarHBondContact O-N 2.65Å; G245-L248 PolarHBondContact O-N 3.19Å; G245-D249 PolarHBondContact O-N 3.09Å
246P75.4Confident70.4Confident92 Ų9260.6 Ų60.660%0.59734%0.339SS*.Hα-helixtrans-67.2-24.6179.327-36.3000114.1A244 E250A244-P246 HydrophobicContact CB-CG 4.31Å; P246-E250 WeakPolarHBondContact O-CB 3.34Å; P246-E250 PolarHBondContact O-N 2.88Å
247E71.9Confident71Confident97 Ų9763.4 Ų63.445%0.45335%0.351SS..Hα-helixtrans-73.1-40.4175.8-63.6167.3162.300109.7L243 A244 G245 E250 M251L243-E247 HydrophobicContact CB-CB 4.34Å; L243-E247 HydrophobicContact CD2-CB 4.42Å; A244-E247 HydrophobicContact CB-CG 4.13Å; A244-E247 WeakPolarHBondContact CB-OE2 3.44Å; A244-E247 PolarHBondContact N-OE2 2.94Å; A244-E247 WeakPolarHBondContact O-CB 3.33Å; A244-E247 PolarHBondContact O-N 2.84Å; G245-E247 VanDerWaalsContact C-N 3.27Å; G245-E247 PolarHBondContact O-N 2.65Å; E247-E250 PolarHBondContact O-N 2.72Å; E247-M251 WeakPolarHBondContact O-CB 3.28Å; E247-M251 PolarHBondContact O-N 2.75Å
248L73.3Confident71.9Confident3 Ų365 Ų652%0.01635%0.352CS..Hα-helixtrans-66-38.6171.9-70.1157000112.6L231 R232 V235 L243 A244 G245 E250 M251 L252L231-L248 HydrophobicContact CG-CD2 4.37Å; R232-L248 HydrophobicContact CB-CD1 3.85Å; R232-L248 HydrophobicContact CG-CD1 3.63Å; V235-L248 HydrophobicContact CG2-CD2 4.13Å; L243-L248 HydrophobicContact CB-CD1 4.23Å; L243-L248 HydrophobicContact CB-CD2 4.16Å; L243-L248 HydrophobicContact CB-CG 3.82Å; L243-L248 HydrophobicContact CD1-CD2 4.02Å; L243-L248 HydrophobicContact CD1-CG 4.38Å; A244-L248 PolarHBondContact O-N 2.59Å; G245-L248 PolarHBondContact O-N 3.19Å; L248-E250 VanDerWaalsContact C-N 3.33Å; L248-M251 HydrophobicContact CD2-CE 3.95Å; L248-M251 PolarHBondContact O-N 2.97Å; L248-L252 WeakPolarHBondContact O-CB 3.37Å; L248-L252 PolarHBondContact O-N 2.91Å
249D75.9Confident73.1Confident84 Ų8467.6 Ų67.645%0.44938%0.381SS..Hα-helixtrans-68.2-30.3175.9-70.2-33.4000112.7G245 R253G245-D249 PolarHBondContact O-N 3.09Å; D249-R253 WeakPolarHBondContact O-CG 3.17Å; D249-R253 PolarHBondContact O-N 3.49Å
250E77.2Confident74.3Confident125 Ų12569.6 Ų69.658%0.58439%0.392SS*.Hα-helixtrans-76.9-42.2171.8-171.4160.7-138.500110.6P246 E247 L248 L252 R253 E254P246-E250 WeakPolarHBondContact O-CB 3.34Å; P246-E250 PolarHBondContact O-N 2.88Å; E247-E250 PolarHBondContact O-N 2.72Å; L248-E250 VanDerWaalsContact C-N 3.33Å; E250-L252 PolarHBondContact O-N 2.84Å; E250-R253 WeakPolarHBondContact O-CB 3.28Å; E250-R253 PolarHBondContact O-N 3.16Å; E250-E254 PolarHBondContact O-N 3.25Å
251M73.1Confident75.6Confident11 Ų1168.6 Ų68.65%0.05438%0.381CS..Hα-helixtrans-57.4-48.8176-159.6175.983.800111.9T111 Y112 L231 V235 L243 E247 L248 R253 E254T111-M251 HydrophobicContact CG2-CG 4.15Å; T111-M251 HydrophobicContact CG2-SD 3.56Å; T111-M251 VanDerWaalsContact CG2-SD 3.56Å; Y112-M251 HydrophobicContact CD1-CG 4.38Å; Y112-M251 HydrophobicContact CD1-SD 4.21Å; Y112-M251 HydrophobicContact CE1-CE 4.48Å; Y112-M251 HydrophobicContact CE1-CG 3.31Å; Y112-M251 HydrophobicContact CE1-SD 3.64Å; Y112-M251 VanDerWaalsContact CZ-CG 3.47Å; Y112-M251 WeakPolarHBondContact OH-CG 3.2Å; Y112-M251 PolarHBondContact OH-O 2.9Å; L231-M251 HydrophobicContact CD1-CE 3.58Å; L231-M251 HydrophobicContact CD2-CE 3.48Å; L231-M251 VanDerWaalsContact CD2-CE 3.48Å; L231-M251 HydrophobicContact CG-CE 3.48Å; L231-M251 VanDerWaalsContact CG-CE 3.48Å; V235-M251 HydrophobicContact CG2-CE 4.07Å; L243-M251 HydrophobicContact CD1-CE 4.4Å; L243-M251 HydrophobicContact CD1-SD 3.63Å; E247-M251 WeakPolarHBondContact O-CB 3.28Å; E247-M251 PolarHBondContact O-N 2.75Å; L248-M251 HydrophobicContact CD2-CE 3.95Å; L248-M251 PolarHBondContact O-N 2.97Å; M251-R253 VanDerWaalsContact C-N 3.34Å; M251-R253 PolarHBondContact O-N 2.95Å; M251-E254 PolarHBondContact O-N 2.51Å
252L76.7Confident76.8Confident16 Ų1662.8 Ų62.88%0.08436%0.356CS..Hα-helixtrans-61-43.2176.8-160.489.2000111.2V228 L231 L248 E250 E254 V255 D256 V263V228-L252 HydrophobicContact CG2-CD1 3.95Å; V228-L252 HydrophobicContact CG2-CD2 3.55Å; V228-L252 HydrophobicContact CG2-CG 4.26Å; L231-L252 HydrophobicContact CD2-CD1 3.92Å; L248-L252 WeakPolarHBondContact O-CB 3.37Å; L248-L252 PolarHBondContact O-N 2.91Å; E250-L252 PolarHBondContact O-N 2.84Å; L252-E254 PolarHBondContact O-N 3.45Å; L252-V255 PolarHBondContact O-N 3.05Å; L252-D256 HydrophobicContact CG-CB 4.36Å; L252-D256 VanDerWaalsContact O-CB 3.29Å; L252-D256 WeakPolarHBondContact O-CB 3.49Å; L252-D256 PolarHBondContact O-N 3.07Å; L252-V263 HydrophobicContact CD1-CG2 3.88Å
253R79.6Confident78Confident206 Ų20658.8 Ų58.878%0.77733%0.33SS*.Hα-helixtrans-64.3-17.4178.9-89.1-170.9173.1112.11.9115.5D249 E250 M251D249-R253 WeakPolarHBondContact O-CG 3.17Å; D249-R253 PolarHBondContact O-N 3.49Å; E250-R253 WeakPolarHBondContact O-CB 3.28Å; E250-R253 PolarHBondContact O-N 3.16Å; M251-R253 VanDerWaalsContact C-N 3.34Å; M251-R253 PolarHBondContact O-N 2.95Å
254E76.2Confident79Confident75 Ų7559.6 Ų59.635%0.3533%0.334SS..Hα-helixtrans-90.3-10.9175-68.1-161.1143.100113.2E250 M251 L252E250-E254 PolarHBondContact O-N 3.25Å; M251-E254 PolarHBondContact O-N 2.51Å; L252-E254 PolarHBondContact O-N 3.45Å
255V75.2Confident79.6Confident10 Ų1059.9 Ų59.96%0.06133%0.327CS..Hα-helixtrans-120.5-37.6-172.5-176.50000113.2Y112 L252 L257 V263 E267 M271Y112-V255 WeakPolarHBondContact OH-CG2 3.15Å; L252-V255 PolarHBondContact O-N 3.05Å; V255-L257 WeakPolarHBondContact O-CG 3.35Å; V255-L257 PolarHBondContact O-N 2.87Å; V255-V263 HydrophobicContact CB-CG2 4.12Å; V255-V263 HydrophobicContact CG1-CB 4.34Å; V255-V263 HydrophobicContact CG1-CG1 3.62Å; V255-V263 HydrophobicContact CG1-CG2 3.73Å; V255-E267 HydrophobicContact CG1-CB 4.42Å; V255-M271 HydrophobicContact CG1-CB 3.93Å; V255-M271 HydrophobicContact CG1-CG 4.44Å; V255-M271 HydrophobicContact CG1-SD 4.27Å; V255-M271 HydrophobicContact CG2-CB 4.07Å; V255-M271 HydrophobicContact CG2-CG 3.82Å; V255-M271 HydrophobicContact CG2-SD 3.72Å
256D83.8Confident80.1Confident29 Ų2963.5 Ų63.516%0.15534%0.34CS..  trans-66.893.9169.3177.212.4000108.8L252 G259 D260 G261L252-D256 HydrophobicContact CG-CB 4.36Å; L252-D256 VanDerWaalsContact O-CB 3.29Å; L252-D256 WeakPolarHBondContact O-CB 3.49Å; L252-D256 PolarHBondContact O-N 3.07Å; D256-G259 WeakPolarHBondContact OD1-CA 3.18Å; D256-G259 PolarHBondContact OD1-N 3.48Å; D256-D260 PolarHBondContact OD1-N 3.23Å; D256-G261 WeakPolarHBondContact OD2-CA 3.45Å; D256-G261 PolarHBondContact OD2-N 2.99Å
257L81.3Confident80.5Confident107 Ų10759.4 Ų59.456%0.5631%0.313SS*.SBendtrans-87.2-28.1-178.8-62.5-177.8000111.2V255 E267 M270V255-L257 WeakPolarHBondContact O-CG 3.35Å; V255-L257 PolarHBondContact O-N 2.87Å; L257-E267 HydrophobicContact CB-CG 4.4Å; L257-E267 HydrophobicContact CG-CG 4.48Å; L257-E267 PolarHBondContact N-OE1 3.44Å; L257-M270 HydrophobicContact CD1-CE 3.75Å; L257-M270 HydrophobicContact CD1-SD 3.83Å
258N83.5Confident80.7Confident84 Ų8455 Ų5545%0.44929%0.293SS..SBendtrans-84.1-28.2-177.383.674.9000112.8D260 E267N258-D260 WeakPolarHBondContact OD1-CB 3.34Å; N258-D260 PolarHBondContact OD1-N 3.34Å; N258-D260 PolarHBondContact OD1-OD2 3.48Å; N258-D260 VanDerWaalsContact OD1-OD2 3.1Å; N258-E267 PolarHBondContact N-OE1 3.38Å; N258-E267 VanDerWaalsContact ND2-CD 3.31Å; N258-E267 PolarHBondContact ND2-OE1 3.04Å; N258-E267 PolarHBondContact ND2-OE2 3.39Å; N258-E267 VanDerWaalsContact ND2-OE2 3.16Å
259G84.8Confident80.7Confident62 Ų6256.4 Ų56.464%0.63930%0.301SS*.SBendtrans92.619.6175.900000115.6D256D256-G259 WeakPolarHBondContact OD1-CA 3.18Å; D256-G259 PolarHBondContact OD1-N 3.48Å
260D86.1Confident80.5Confident74 Ų7456.9 Ų56.940%0.39630%0.302SS..SBendtrans-89.8-5.8-177.276.329.2000115.4R225 D256 N258 T262R225-D260 IonicContact CZ-OD2 2.92Å; R225-D260 VanDerWaalsContact NH1-CG 3.31Å; R225-D260 IonicContact NH1-OD1 3.61Å; R225-D260 PolarHBondContact NH1-OD1 3.33Å; R225-D260 IonicContact NH1-OD2 2.66Å; R225-D260 PolarHBondContact NH1-OD2 2.65Å; R225-D260 IonicContact NH2-OD2 3.42Å; R225-D260 PolarHBondContact NH2-OD2 3.26Å; D256-D260 PolarHBondContact OD1-N 3.23Å; N258-D260 WeakPolarHBondContact OD1-CB 3.34Å; N258-D260 PolarHBondContact OD1-N 3.34Å; N258-D260 PolarHBondContact OD1-OD2 3.48Å; N258-D260 VanDerWaalsContact OD1-OD2 3.1Å; D260-T262 PolarHBondContact OD1-N 3.2Å; D260-T262 PolarHBondContact OD1-OG1 2.82Å
261G84Confident80.1Confident32 Ų3252.8 Ų52.833%0.3328%0.283SS..SBendtrans81.613.117800000114.6D256D256-G261 WeakPolarHBondContact OD2-CA 3.45Å; D256-G261 PolarHBondContact OD2-N 2.99Å
262T86.9Confident79.6Confident22 Ų2253.3 Ų53.314%0.13529%0.286CS..EExtended strand (participates in β ladder)trans-124.9174.8164.566.70000109.9R225 I226 T227 D260R225-T262 PolarHBondContact NH1-OG1 2.86Å; I226-T262 WeakPolarHBondContact O-CA 3.5Å; T227-T262 HydrophobicContact CG2-CG2 4.08Å; D260-T262 PolarHBondContact OD1-N 3.2Å; D260-T262 PolarHBondContact OD1-OG1 2.82Å
263V86.6Confident78.5Confident6 Ų656.6 Ų56.64%0.03631%0.31CS..EExtended strand (participates in β ladder)trans-117119.1171.8170.90000108I226 L252 V255 E267 F268I226-V263 HydrophobicContact CB-CB 4.32Å; I226-V263 PolarHBondContact N-O 2.93Å; I226-V263 PolarHBondContact O-N 3.23Å; L252-V263 HydrophobicContact CD1-CG2 3.88Å; V255-V263 HydrophobicContact CB-CG2 4.12Å; V255-V263 HydrophobicContact CG1-CB 4.34Å; V255-V263 HydrophobicContact CG1-CG1 3.62Å; V255-V263 HydrophobicContact CG1-CG2 3.73Å; V263-E267 HydrophobicContact CG1-CB 4.05Å; V263-F268 HydrophobicContact CG1-CB 4.02Å
264D87.4Confident77.2Confident45 Ų4555.6 Ų55.624%0.24131%0.306CS..EExtended strand (participates in β ladder)trans-83.4176.2173.88229.8000112.8D266 E267 F268D264-D266 PolarHBondContact O-N 3.33Å; D264-D266 WeakPolarHBondContact OD1-CA 3.43Å; D264-D266 PolarHBondContact OD1-N 3.19Å; D264-E267 PolarHBondContact N-OE2 3.28Å; D264-E267 PolarHBondContact O-N 2.93Å; D264-E267 PolarHBondContact OD1-N 2.86Å; D264-F268 WeakPolarHBondContact O-CB 3.35Å; D264-F268 PolarHBondContact O-N 3.24Å
265F82.3Confident75.5Confident48 Ų4860.3 Ų60.321%0.21133%0.328CS..Hα-helixtrans-64.4-38.6-177.8-179.3-102.4000113.4V208 L211 R212 F215 F268 V269V208-F265 HydrophobicContact CG1-CE1 4.17Å; V208-F265 HydrophobicContact CG1-CZ 4.12Å; L211-F265 HydrophobicContact CB-CE2 4.05Å; L211-F265 HydrophobicContact CB-CZ 3.97Å; R212-F265 HydrophobicContact CB-CE2 4.26Å; R212-F265 HydrophobicContact CG-CD2 4.09Å; R212-F265 HydrophobicContact CG-CE1 4.33Å; R212-F265 HydrophobicContact CG-CE2 3.43Å; R212-F265 VanDerWaalsContact CG-CE2 3.43Å; R212-F265 HydrophobicContact CG-CZ 3.56Å; F215-F265 HydrophobicContact CB-CD2 4.13Å; F215-F265 HydrophobicContact CB-CE2 4.43Å; F215-F265 HydrophobicContact CD2-CB 4.42Å; F215-F265 AromaticContact CD2-CD2 3.92Å; F215-F265 HydrophobicContact CD2-CD2 3.92Å; F215-F265 HydrophobicContact CE2-CB 4.21Å; F215-F265 AromaticContact CG-CD2 3.98Å; F215-F265 HydrophobicContact CG-CD2 3.98Å; F215-F265 HydrophobicContact CZ-CB 4.46Å; F265-F268 PolarHBondContact O-N 2.88Å; F265-V269 HydrophobicContact CD1-CG2 4.23Å; F265-V269 HydrophobicContact CD2-CG2 4.45Å; F265-V269 HydrophobicContact CE1-CG2 3.65Å; F265-V269 HydrophobicContact CE2-CG2 3.87Å; F265-V269 HydrophobicContact CZ-CG2 3.43Å; F265-V269 VanDerWaalsContact CZ-CG2 3.43Å; F265-V269 VanDerWaalsContact O-CG2 3.3Å; F265-V269 WeakPolarHBondContact O-CG2 3.44Å; F265-V269 PolarHBondContact O-N 3.47Å
266D80.5Confident75.5Confident106 Ų10662.8 Ų62.857%0.56734%0.341SS*.Hα-helixtrans-73.6-34.5-179.2-71.5-24.6000110.3D264 V269 M270D264-D266 PolarHBondContact O-N 3.33Å; D264-D266 WeakPolarHBondContact OD1-CA 3.43Å; D264-D266 PolarHBondContact OD1-N 3.19Å; D266-V269 PolarHBondContact O-N 2.87Å; D266-M270 HydrophobicContact CB-CE 4.3Å; D266-M270 WeakPolarHBondContact O-CB 3.29Å; D266-M270 WeakPolarHBondContact O-CE 3.38Å; D266-M270 VanDerWaalsContact O-CG 3.31Å; D266-M270 WeakPolarHBondContact O-CG 3.24Å; D266-M270 PolarHBondContact O-N 2.87Å
267E83.8Confident75.1Confident6 Ų664.6 Ų64.63%0.02835%0.351CS..Hα-helixtrans-65.1-42.5170.5-70.8175.6146.100112.5V255 L257 N258 V263 D264 M270 M271V255-E267 HydrophobicContact CG1-CB 4.42Å; L257-E267 HydrophobicContact CB-CG 4.4Å; L257-E267 HydrophobicContact CG-CG 4.48Å; L257-E267 PolarHBondContact N-OE1 3.44Å; N258-E267 PolarHBondContact N-OE1 3.38Å; N258-E267 VanDerWaalsContact ND2-CD 3.31Å; N258-E267 PolarHBondContact ND2-OE1 3.04Å; N258-E267 PolarHBondContact ND2-OE2 3.39Å; N258-E267 VanDerWaalsContact ND2-OE2 3.16Å; V263-E267 HydrophobicContact CG1-CB 4.05Å; D264-E267 PolarHBondContact N-OE2 3.28Å; D264-E267 PolarHBondContact O-N 2.93Å; D264-E267 PolarHBondContact OD1-N 2.86Å; E267-M270 HydrophobicContact CG-CE 4.32Å; E267-M270 PolarHBondContact O-N 3.25Å; E267-M271 PolarHBondContact O-N 3.38Å
268F77.6Confident74.7Confident5 Ų562.2 Ų62.22%0.02234%0.339CS..Hα-helixtrans-62.4-41.6172.8-175.4-99.2000111.8A214 F215 F218 I226 V263 D264 F265 M271 L272A214-F268 HydrophobicContact CB-CE1 4.01Å; A214-F268 HydrophobicContact CB-CZ 3.95Å; F215-F268 HydrophobicContact CB-CD1 4.2Å; F215-F268 HydrophobicContact CB-CE1 4.12Å; F215-F268 HydrophobicContact CD2-CB 3.72Å; F215-F268 AromaticContact CD2-CD1 3.86Å; F215-F268 HydrophobicContact CD2-CD1 3.86Å; F215-F268 HydrophobicContact CD2-CD2 4.19Å; F215-F268 HydrophobicContact CD2-CE1 4.48Å; F215-F268 AromaticContact CD2-CG 3.69Å; F215-F268 HydrophobicContact CD2-CG 3.69Å; F215-F268 HydrophobicContact CE2-CB 3.97Å; F215-F268 HydrophobicContact CE2-CG 4.36Å; F218-F268 AromaticContact CD2-CE2 3.83Å; F218-F268 HydrophobicContact CD2-CE2 3.83Å; F218-F268 HydrophobicContact CD2-CZ 4.05Å; F218-F268 AromaticContact CE2-CE2 3.65Å; F218-F268 HydrophobicContact CE2-CE2 3.65Å; F218-F268 AromaticContact CE2-CZ 3.75Å; F218-F268 HydrophobicContact CE2-CZ 3.75Å; F218-F268 HydrophobicContact CZ-CE2 4.34Å; I226-F268 HydrophobicContact CD1-CD2 3.79Å; I226-F268 HydrophobicContact CD1-CE2 4.1Å; I226-F268 HydrophobicContact CD1-CG 4.49Å; V263-F268 HydrophobicContact CG1-CB 4.02Å; D264-F268 WeakPolarHBondContact O-CB 3.35Å; D264-F268 PolarHBondContact O-N 3.24Å; F265-F268 PolarHBondContact O-N 2.88Å; F268-M271 HydrophobicContact CD2-CE 3.62Å; F268-M271 HydrophobicContact CE2-CE 3.72Å; F268-M271 HydrophobicContact CG-CE 4.34Å; F268-M271 WeakPolarHBondContact O-CB 3.12Å; F268-M271 PolarHBondContact O-N 3.08Å; F268-L272 HydrophobicContact CD1-CD1 3.78Å; F268-L272 HydrophobicContact CE1-CD1 3.44Å; F268-L272 VanDerWaalsContact CE1-CD1 3.44Å; F268-L272 HydrophobicContact CG-CD1 4.49Å; F268-L272 HydrophobicContact CZ-CD1 3.9Å; F268-L272 VanDerWaalsContact O-CG 3.27Å; F268-L272 WeakPolarHBondContact O-CG 3.32Å; F268-L272 PolarHBondContact O-N 3.04Å
269V73.3Confident74.2Confident31 Ų3160.9 Ų60.919%0.18833%0.333CS..Hα-helixtrans-66.6-38.4173.3172.80000111.3L211 F265 D266 L272 S273L211-V269 HydrophobicContact CB-CG2 4.16Å; L211-V269 HydrophobicContact CD1-CG1 4.36Å; L211-V269 HydrophobicContact CD1-CG2 4.01Å; L211-V269 HydrophobicContact CD2-CG2 4.5Å; L211-V269 HydrophobicContact CG-CG2 4.45Å; F265-V269 HydrophobicContact CD1-CG2 4.23Å; F265-V269 HydrophobicContact CD2-CG2 4.45Å; F265-V269 HydrophobicContact CE1-CG2 3.65Å; F265-V269 HydrophobicContact CE2-CG2 3.87Å; F265-V269 HydrophobicContact CZ-CG2 3.43Å; F265-V269 VanDerWaalsContact CZ-CG2 3.43Å; F265-V269 VanDerWaalsContact O-CG2 3.3Å; F265-V269 WeakPolarHBondContact O-CG2 3.44Å; F265-V269 PolarHBondContact O-N 3.47Å; D266-V269 PolarHBondContact O-N 2.87Å; V269-L272 PolarHBondContact O-N 3.27Å; V269-S273 VanDerWaalsContact O-CB 3.28Å; V269-S273 WeakPolarHBondContact O-CB 3.22Å; V269-S273 PolarHBondContact O-N 3.04Å; V269-S273 PolarHBondContact O-OG 2.84Å
270M71.7Confident73.6Confident95 Ų9560.9 Ų60.947%0.46831%0.314SS..Hα-helixtrans-68.1-34.1176.1-78.7-175.3-77.900113.2L257 D266 E267 L272 R274L257-M270 HydrophobicContact CD1-CE 3.75Å; L257-M270 HydrophobicContact CD1-SD 3.83Å; D266-M270 HydrophobicContact CB-CE 4.3Å; D266-M270 WeakPolarHBondContact O-CB 3.29Å; D266-M270 WeakPolarHBondContact O-CE 3.38Å; D266-M270 VanDerWaalsContact O-CG 3.31Å; D266-M270 WeakPolarHBondContact O-CG 3.24Å; D266-M270 PolarHBondContact O-N 2.87Å; E267-M270 HydrophobicContact CG-CE 4.32Å; E267-M270 PolarHBondContact O-N 3.25Å; M270-L272 VanDerWaalsContact C-N 3.33Å; M270-R274 WeakPolarHBondContact O-CB 3.38Å
271M68.3Low72.7Confident39 Ų3960 Ų6019%0.19231%0.308CS..Hα-helixtrans-58.6-45.3169.3176.2-172.16900111.2Y112 V255 E267 F268Y112-M271 HydrophobicContact CD1-SD 4.02Å; Y112-M271 HydrophobicContact CE1-SD 3.63Å; V255-M271 HydrophobicContact CG1-CB 3.93Å; V255-M271 HydrophobicContact CG1-CG 4.44Å; V255-M271 HydrophobicContact CG1-SD 4.27Å; V255-M271 HydrophobicContact CG2-CB 4.07Å; V255-M271 HydrophobicContact CG2-CG 3.82Å; V255-M271 HydrophobicContact CG2-SD 3.72Å; E267-M271 PolarHBondContact O-N 3.38Å; F268-M271 HydrophobicContact CD2-CE 3.62Å; F268-M271 HydrophobicContact CE2-CE 3.72Å; F268-M271 HydrophobicContact CG-CE 4.34Å; F268-M271 WeakPolarHBondContact O-CB 3.12Å; F268-M271 PolarHBondContact O-N 3.08Å
272L62.3Low71.9Confident21 Ų2162 Ų6211%0.1131%0.307CS..Hα-helixtrans-78.2-28.9-176.5-64.3175.3000113.5L116 F120 L211 F268 V269 M270 R274L116-L272 HydrophobicContact CD2-CD2 3.19Å; F120-L272 HydrophobicContact CE2-CD1 3.86Å; F120-L272 HydrophobicContact CE2-CD2 3.8Å; F120-L272 HydrophobicContact CE2-CG 4.48Å; F120-L272 HydrophobicContact CZ-CD1 3.81Å; L211-L272 HydrophobicContact CD2-CB 4.27Å; L211-L272 HydrophobicContact CD2-CD1 3.4Å; L211-L272 HydrophobicContact CD2-CG 4.46Å; F268-L272 HydrophobicContact CD1-CD1 3.78Å; F268-L272 HydrophobicContact CE1-CD1 3.44Å; F268-L272 VanDerWaalsContact CE1-CD1 3.44Å; F268-L272 HydrophobicContact CG-CD1 4.49Å; F268-L272 HydrophobicContact CZ-CD1 3.9Å; F268-L272 VanDerWaalsContact O-CG 3.27Å; F268-L272 WeakPolarHBondContact O-CG 3.32Å; F268-L272 PolarHBondContact O-N 3.04Å; V269-L272 PolarHBondContact O-N 3.27Å; M270-L272 VanDerWaalsContact C-N 3.33Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 2.86Å
273S53.4Low70.8Confident85 Ų8565.1 Ų65.159%0.59432%0.32SS*.THydrogen-bonded Turntrans-84.22-178.3-52.50000114.3V269 H275V269-S273 VanDerWaalsContact O-CB 3.28Å; V269-S273 WeakPolarHBondContact O-CB 3.22Å; V269-S273 PolarHBondContact O-N 3.04Å; V269-S273 PolarHBondContact O-OG 2.84Å; S273-H275 VanDerWaalsContact C-N 3.27Å; S273-H275 PolarHBondContact O-N 3.32Å
274R52.3Low69.4Low186 Ų18670 Ų7070%0.70234%0.344SS*.  trans-93.537.9-171.6-161.9172.2175-177.4-3.8112.4M270 L272M270-R274 WeakPolarHBondContact O-CB 3.38Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 2.86Å
275H40.5Very low67.8Low173 Ų17372.3 Ų72.380%0.80135%0.353SS*.  trans-129.10-164.6-127.5-60000113.6Q109 S273Q109-H275 PolarHBondContact NE2-CE1 3.24Å; Q109-H275 PolarHBondContact NE2-NE2 3.49Å; Q109-H275 PolarHBondContact OE1-CE1 3.04Å; Q109-H275 PolarHBondContact OE1-NE2 2.88Å; S273-H275 VanDerWaalsContact C-N 3.27Å; S273-H275 PolarHBondContact O-N 3.32Å

Retrieved 275 of 275 residues in 533.6 ms (Link to these results)