A0A096NP52_PAPAN Loading...

NFKB activating protein

AlphaFold DB , UniProt , Accession A0A096NP52, Species PAPAN (Papio anubis, Olive baboon), Gene NKAP, Length 417 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.6Very low42.6Very low249 Ų249139.2 Ų139.2100%1.22783%0.829SS**  0173.80-66.7-168.282.600109
2A44.5Very low42.1Very low98 Ų98147.7 Ų147.781%0.8184%0.836SS**  trans-69164.7-158.500000116.4
3P61.5Low41.5Very low116 Ų116148.1 Ų148.175%0.75383%0.827SS**  trans-115.9-156.7-171.837.4-19.5000113.5
4V39.6Very low41.1Very low119 Ų119143.7 Ų143.772%0.72182%0.819SS**  trans92.5105.7167.5-168.60000114.1
5S39.3Very low40.6Very low120 Ų120142.3 Ų142.384%0.83982%0.821SS**  60.4147.487.2-39.40000113.1
6G34.4Very low40Very low60 Ų60138.6 Ų138.662%0.61982%0.823SS**  cis157126.315.900000105.9
7S36.8Very low39.7Very low111 Ų111137.9 Ų137.978%0.77683%0.828SS**  72123.1114.870.10000119.6
8R38.5Very low39.3Very low248 Ų248134.8 Ų134.894%0.93683%0.829SS**  trans70.1150.4144-67.3-178.8172.1-161.5-3120.4
9T41.9Very low39Very low133 Ų133131.6 Ų131.682%0.81683%0.825SS**  trans-69.1168.8173.948.80000113.1
10P54.9Low38.8Very low126 Ų126137.1 Ų137.182%0.81883%0.829SS**  -145.7165.5116.137.5-22.6000117.7
11D34.7Very low38.6Very low151 Ų151140.1 Ų140.181%0.80783%0.826SS**  trans-34.9159168.7-92.2-64000121.1
12R35.8Very low38.2Very low241 Ų241138.4 Ų138.491%0.90981%0.805SS**  trans-154.697.3136.8-165.5164.6175.3-177.4-2.9114.1
13E35Very low37.7Very low153 Ų153138.5 Ų138.572%0.71580%0.8SS**  trans-7.4135146.3-75.8-69.6162.200119.3
14A35.3Very low36.3Very low87 Ų87137.8 Ų137.872%0.71980%0.798SS**  179.1115.9112.900000114.9
15S34.6Very low36Very low122 Ų122136.4 Ų136.485%0.85379%0.794SS**  trans51.4116.3131.9-540000122.3
16G30.8Very low35.8Very low83 Ų83139.8 Ų139.886%0.85679%0.793SS**  trans-17491.816500000114.9
17S35.1Very low36.1Very low128 Ų128142 Ų14290%0.89580%0.8SS**  trans-72.5161.6-174.955.90000115.9
18G32.3Very low36.4Very low82 Ų82143 Ų14385%0.84580%0.803SS**  trans128.1119151.800000116.2
19G33.2Very low36.6Very low73 Ų73140.7 Ų140.775%0.75380%0.8SS**  trans-111.2-166.5175.900000114.4
20R34.9Very low36.7Very low241 Ų241140 Ų14091%0.90980%0.798SS**  trans78.1111.6177.3-56.4178.2168.3-136.6-2.8113.9
21R34.9Very low36.1Very low201 Ų201140 Ų14076%0.75880%0.801SS**  73.6116.972.2-79.4-170.7171.9-146.5-2.1114.6
22R35.1Very low36.3Very low213 Ų213141.8 Ų141.880%0.80480%0.801SS**  trans69.4147.3151.3-61.3172.4177.4-177.3-5.2114.8
23S33.9Very low36.2Very low100 Ų100136 Ų13670%0.69980%0.797SS**  cis-175166.2-440.90000112.2
24S31.3Very low36.2Very low102 Ų102132.7 Ų132.771%0.71380%0.797SS**  trans85.2139.5140780000123.5
25S33.7Very low36.1Very low90 Ų90140.4 Ų140.463%0.62981%0.807SS**  trans75147.5154.281.50000117.9
26K35.8Very low36.1Very low190 Ų190140 Ų14083%0.82681%0.805SS**  cis-130.2149.98.4-87.192.7-178.2172.30112.9
27S40.6Very low36.8Very low108 Ų108141.9 Ų141.976%0.75580%0.801SS**  trans-85.6147.7151.8-42.90000110.1
28P42.8Very low36.8Very low131 Ų131147.7 Ų147.785%0.85180%0.804SS**  trans-81.6137.9163.531.1-29.1000111
29K41.7Very low36.6Very low200 Ų200147.6 Ų147.687%0.8780%0.803SS**  trans-122154167.3-89.3-169178.2-178.70109.8
30P43.5Very low36.7Very low118 Ų118155.8 Ų155.877%0.76681%0.811SS**  trans-82.9158.1-167.333.4-37.1000114.2
31S43.8Very low36.5Very low126 Ų126154.8 Ų154.888%0.88181%0.807SS**  trans-76.5162.1170.649.80000112.5
32K38.9Very low36.4Very low189 Ų189150.9 Ų150.982%0.82281%0.811SS**  trans-120139.9-168.6-66.9176.9175.91770113.3
33S33.5Very low36.2Very low118 Ų118150.6 Ų150.683%0.82581%0.809SS**  trans66154145.273.50000118.4
34A34.6Very low36Very low85 Ų85151.1 Ų151.170%0.70281%0.813SS**  cis-157.1172.316.100000114.7
35R32.6Very low36Very low249 Ų249154.5 Ų154.594%0.9482%0.818SS**  trans84.3127.9158.8-63.6-176.6176.5-136.3-1.8120.2
36S35.1Very low35.8Very low114 Ų114155.5 Ų155.580%0.79783%0.825SS**  trans-84.9169.9177.7-36.60000112.4
37P45.3Very low35.6Very low121 Ų121152.8 Ų152.879%0.78683%0.828SS**  -146.1154.187.537.2-20.4000117.5
38R34.6Very low35.1Very low250 Ų250153.2 Ų153.294%0.94383%0.831SS**  trans30115.9149.3-65-178.5171-144.1-1.4120.2
39G29.6Very low34.7Very low80 Ų80159.2 Ų159.283%0.82584%0.836SS**  trans-163.7102.5157.400000113.2
40R34.6Very low34.2Very low246 Ų246155.3 Ų155.393%0.92884%0.835SS**  trans-79.6131.7175.6-70.3175.2172.9-103.75.2110.7
41R31.4Very low33.7Very low220 Ų220152.7 Ų152.783%0.8383%0.829SS**  trans-177116.5130.6-107.1166.8176.5-115.9-0.2113.7
42S33Very low33.2Very low119 Ų119154.1 Ų154.183%0.83283%0.827SS**  trans-71.2141.1160.5-39.60000109.8
43R30.1Very low32.9Very low206 Ų206157 Ų15778%0.77783%0.833SS**  trans-128.491.5169.9-108.9-177.2174.2141-5.2110.4
44S30.5Very low32.9Very low111 Ų111159.1 Ų159.178%0.77683%0.834SS**  trans-90.4124.2161.337.60000108.6
45H29.6Very low32.7Very low174 Ų174158.3 Ų158.381%0.80683%0.834SS**  trans-91.9102.7175.7-84.1-74.4000110.6
46S31.2Very low32.8Very low111 Ų111155.5 Ų155.578%0.77684%0.837SS**  trans-98.3146.716149.90000110
47C30.1Very low32.8Very low132 Ų132155 Ų15589%0.89283%0.833SS**  trans-82.2137.9-177.855.80000112.2
48S30.3Very low32.2Very low117 Ų117158.4 Ų158.482%0.81884%0.839SS**  trans-142.1123.7158.945.90000109
49R34.3Very low32.2Very low257 Ų257154.2 Ų154.297%0.9783%0.83SS**  trans-89.3112.6168.9-82.1171.5151.2-169.1-7.8107.5
50S32.4Very low32.3Very low119 Ų119157.8 Ų157.883%0.83283%0.829SS**  trans-94.3129.5153.544.70000108.2
51G33.4Very low31.9Very low63 Ų63150 Ų15065%0.64983%0.825SS**  trans-89.9148.6159.300000108.4
52D32.3Very low31.7Very low156 Ų156143.4 Ų143.483%0.83483%0.825SS**  trans-176.2116.7149.9-92.9-30.3000108.9
53R32.5Very low31.6Very low250 Ų250146.4 Ų146.494%0.94383%0.831SS**  trans-153.993157.5-79.3-154175.5-177.4-2.8110.2
54N34.4Very low31.6Very low161 Ų161142.5 Ų142.586%0.86184%0.835SS**  trans-63.8154.9144.9-53.8-40000107.6
55G30.4Very low31.8Very low68 Ų68146.3 Ų146.370%0.70184%0.841SS**  cis167.2141.4-400000107.4
56L33.9Very low31.8Very low190 Ų190141.8 Ų141.8100%0.99584%0.841SS**  trans-141.8134.7172.6-78176.9000109.6
57S34.2Very low31.8Very low104 Ų104141.6 Ų141.673%0.72784%0.84SS**  trans-113.2139.9-173.155.20000111.6
58H33.5Very low32Very low193 Ų193146.7 Ų146.789%0.89484%0.84SS**  trans-148.5118.8149.4-96.4-79.7000111.8
59Q34.5Very low32.1Very low162 Ų162148.3 Ų148.376%0.75784%0.84SS**  trans-25.6154.5147.4-61.7-77.43800114.2
60L30.8Very low32.1Very low155 Ų155145.8 Ų145.881%0.81284%0.839SS**  cis-168.1160.714.1-113.9160.3000110.8
61G27Very low32.1Very low81 Ų81145.5 Ų145.584%0.83584%0.837SS**  trans100.8128.4142.800000121.1
62G28.4Very low31.9Very low82 Ų82153.2 Ų153.285%0.84585%0.848SS**  trans140.6113.5160.900000116
63L30.1Very low31.9Very low183 Ų183155.5 Ų155.596%0.95885%0.845SS**  trans-89.1145.6-178.1-57.8110.4000113.6
64S28.9Very low31.9Very low123 Ų123148.7 Ų148.786%0.8684%0.836SS**  trans-170.2151131.6-163.70000112.4
65Q36.3Very low31.7Very low192 Ų192150.2 Ų150.290%0.89783%0.83SS**  trans-84.5158-179-60.2-178.1-6.400112.6
66G28Very low31.7Very low78 Ų78152.7 Ų152.780%0.80484%0.836SS**  trans171.165.5172.400000118.2
67S32.9Very low31.6Very low107 Ų107154 Ų15475%0.74883%0.827SS**  trans-33.8128.8171.7-1790000117.4
68R34.6Very low31.5Very low240 Ų240154.6 Ų154.691%0.90683%0.832SS**  -171.1136110.2-105.3173.7173.9171.7-1.1115.1
69N32.2Very low31.4Very low151 Ų151156.7 Ų156.781%0.80783%0.832SS**  trans-66.9147.5-177.4-59.3-39000114.6
70Q33.8Very low31.1Very low203 Ų203153.8 Ų153.895%0.94983%0.829SS**  -157.6127.1122.3-116.4169.684.200112
71S31.9Very low31.3Very low113 Ų113158.4 Ų158.479%0.7984%0.836SS**  trans-97.9151.6-170.946.60000113.4
72Y30.1Very low31.6Very low226 Ų226163 Ų16389%0.88684%0.836SS**  trans-57.9139166.3-92.9-109.3000111.1
73R32.3Very low31.9Very low203 Ų203170 Ų17077%0.76684%0.837SS**  trans-146.3100.2160.9-134.9177.7-158.9-92.95112.5
74S31.5Very low32.3Very low108 Ų108167.3 Ų167.376%0.75583%0.831SS**  trans-61140.2166.5-48.30000110.4
75R29.7Very low32.5Very low193 Ų193167 Ų16773%0.72883%0.829SS**  trans-152.493.4169.1-137.9171.3-168.2166.62.5113.1
76S31.2Very low32.5Very low119 Ų119162.4 Ų162.483%0.83282%0.823SS**  trans-62.7136.2161.9-45.60000109.8
77R31.6Very low33.3Very low217 Ų217164.9 Ų164.982%0.81983%0.825SS**  trans-160114.1157.3-120.7169.8-176.2171.20.2112.1
78S31.6Very low33.5Very low118 Ų118172.1 Ų172.183%0.82584%0.836SS**  trans-57.1146.7166.7-38.30000110.8
79R31.7Very low33.4Very low237 Ų237164.2 Ų164.289%0.89483%0.829SS**  trans-150.8112.4159.8-111.7166.1-173.5178-1.4110.7
80S29.4Very low33.5Very low100 Ų100164.8 Ų164.870%0.69983%0.83SS**  trans-54.4152.8163.737.70000110.9
81R35.1Very low34.1Very low253 Ų253161 Ų16196%0.95582%0.824SS**  trans-105.892162.9-81-174.6168.8-166-4.9108.2
82E31.5Very low34.2Very low178 Ų178165.6 Ų165.683%0.83283%0.83SS**PPolyproline II helixtrans-70.3151.4165.6-67.2-174.4141.300110.4
83R35.6Very low34.3Very low227 Ų227158.4 Ų158.486%0.85782%0.816SS**PPolyproline II helixtrans-98.6128.4-178.4-179.1-177.4-177-176.10.8107.9
84P38.5Very low34.6Very low128 Ų128154.8 Ų154.883%0.83182%0.822SS**PPolyproline II helixtrans-72.5146.817929.9-33.9000111.3
85S33.5Very low34.8Very low117 Ų117154.1 Ų154.182%0.81882%0.824SS**  trans-124.6128.6-175.4-58.40000110.7
86A35Very low35.5Very low95 Ų95151.1 Ų151.179%0.78583%0.832SS**  trans177.2159.1158.500000110.2
87P44.9Very low35.8Very low130 Ų130150.9 Ų150.984%0.84483%0.831SS**  cis-121.2-168.2-34.234.4-16.9000111.7
88R38.6Very low36.2Very low259 Ų259145.5 Ų145.598%0.97783%0.826SS**  trans-101.2157.9-172.8-64.3-177.4179-166.91114.6
89G31.5Very low36.6Very low73 Ų73146.1 Ų146.175%0.75382%0.824SS**  trans132.9133.6167.500000110.4
90I35.4Very low36.9Very low164 Ų164144.9 Ų144.984%0.84182%0.821SS**  cis-140.1152.96.3-76176.6000106.8
91P46.3Very low37.2Very low124 Ų124151 Ų15181%0.80583%0.831SS**  trans-80.8145.6-170.432.3-36.1000114.1
92F32.2Very low37.2Very low209 Ų209141.7 Ų141.792%0.91781%0.813SS**  trans-132.3158.8160.3-164.6-104.2000110.8
93A33.9Very low37.6Very low74 Ų74137.9 Ų137.961%0.61281%0.806SS**  trans-63153.2-154.500000116.7A95A93-A95 PolarHBondContact O-N 3.11Å
94S37.4Very low38Very low127 Ų127138.4 Ų138.489%0.88881%0.81SS**  trans-54.4127.4166.2-640000112.1
95A36.1Very low38.3Very low95 Ų95136.7 Ų136.779%0.78580%0.801SS**  trans-121.1114.5153.700000107.9A93 S97A93-A95 PolarHBondContact O-N 3.11Å; A95-S97 PolarHBondContact O-N 2.95Å
96S45.5Very low38.9Very low130 Ų130141.9 Ų141.991%0.90980%0.803SS**  trans-61.5115.4177.9-65.10000110.6
97S36.4Very low39.6Very low114 Ų114143.1 Ų143.180%0.79780%0.803SS**  trans-117.9112.1166.2-173.70000109.3A95A95-S97 PolarHBondContact O-N 2.95Å
98S39.4Very low39.7Very low104 Ų104147.8 Ų147.873%0.72781%0.805SS**  trans-50.1136.5-175.9-177.90000113.3Y100S98-Y100 PolarHBondContact O-N 3.15Å
99V40.3Very low40.4Very low130 Ų130139.1 Ų139.179%0.78880%0.796SS**  trans-73.1109.1174.6-178.80000109.3
100Y38Very low41Very low212 Ų212140 Ų14083%0.83179%0.791SS**  trans-132.353.5169.8-132.7-91.9000113.1S98 G102S98-Y100 PolarHBondContact O-N 3.15Å; Y100-G102 VanDerWaalsContact C-N 3.29Å; Y100-G102 PolarHBondContact O-N 3.3Å
101Y36.1Very low42Very low228 Ų228140 Ų14089%0.89479%0.793SS**  trans-68.991.6159.5-99.3-86.5000109S103Y101-S103 VanDerWaalsContact C-N 3.29Å; Y101-S103 PolarHBondContact O-N 3.45Å
102G36.1Very low42.7Very low57 Ų57142.8 Ų142.859%0.58879%0.792SS**  trans-63.683.3175.900000112Y100 Y104Y100-G102 VanDerWaalsContact C-N 3.29Å; Y100-G102 PolarHBondContact O-N 3.3Å; G102-Y104 PolarHBondContact O-N 3.22Å
103S39.5Very low44.1Very low98 Ų98138.5 Ų138.569%0.68579%0.786SS**  trans-66.3121.8174.8-167.80000109.8Y101 S105Y101-S103 VanDerWaalsContact C-N 3.29Å; Y101-S103 PolarHBondContact O-N 3.45Å; S103-S105 PolarHBondContact O-N 2.9Å
104Y42.6Very low45.1Very low239 Ų239146.3 Ų146.394%0.93780%0.799SS**  trans-73.259.8173.5-91.1-88.9000111.6G102 R106G102-Y104 PolarHBondContact O-N 3.22Å; Y104-R106 PolarHBondContact O-N 3.03Å; Y104-R106 VanDerWaalsContact O-N 3.1Å
105S45.9Very low46.1Very low92 Ų92144.3 Ų144.364%0.64378%0.783SS**  trans-72.297.2167.2-68.60000109S103 P107S103-S105 PolarHBondContact O-N 2.9Å; S105-P107 WeakPolarHBondContact O-CD 3.38Å
106R46.1Very low47.6Very low225 Ų225142.6 Ų142.685%0.84977%0.766SS**  trans-58.1117.1164.6-92.1175.5154.6-126.8-1109Y104 Y108Y104-R106 PolarHBondContact O-N 3.03Å; Y104-R106 VanDerWaalsContact O-N 3.1Å; R106-Y108 PolarHBondContact O-N 2.96Å
107P49.4Very low48.3Very low122 Ų122142.7 Ų142.779%0.79276%0.755SS**  trans-70.5113.9171-14.230.9000108.6S105S105-P107 WeakPolarHBondContact O-CD 3.38Å
108Y47.9Very low49.6Very low228 Ų228142.9 Ų142.989%0.89475%0.747SS**  trans-82.7128164.5-131.4-95000107R106R106-Y108 PolarHBondContact O-N 2.96Å
109G52.6Low51Low76 Ų76142 Ų14278%0.78473%0.734SS**  trans83.778.3175.300000115.1
110S44.3Very low52.7Low93 Ų93141.5 Ų141.565%0.6572%0.721SS**  trans-145.9118.5154.7-178.80000107.7K112S110-K112 PolarHBondContact O-N 3.19Å
111D57.1Low54.5Low162 Ų162136.8 Ų136.887%0.86671%0.707SS**  trans-67.394.2-179.7-62.9-66.6000109.8P113D111-P113 WeakPolarHBondContact O-CD 3.29Å
112K60.5Low56.5Low183 Ų183134.3 Ų134.380%0.79670%0.695SS**PPolyproline II helixtrans-67.7121.7169.9-68166.5-176176.20106.8S110 W114S110-K112 PolarHBondContact O-N 3.19Å; K112-W114 PolarHBondContact O-N 3.19Å
113P61.7Low58.4Low120 Ų120137.6 Ų137.678%0.77970%0.696SS**PPolyproline II helixtrans-55.7140.5171.524.5-32.8000108.4D111D111-P113 WeakPolarHBondContact O-CD 3.29Å
114W54.2Low60.3Low238 Ų238137.8 Ų137.890%0.90269%0.686SS**PPolyproline II helixtrans-52.3138.9177.1-7286.3000109.4K112 S116K112-W114 PolarHBondContact O-N 3.19Å; W114-S116 PolarHBondContact O-N 3.17Å
115P59.4Low62.4Low84 Ų84129.4 Ų129.455%0.54566%0.662SS.*PPolyproline II helixtrans-49.3129.4178.7-27.734.4000110.3D119P115-D119 HydrophobicContact CB-CB 4.39Å
116S66.8Low64.4Low60 Ų60129.8 Ų129.842%0.4266%0.656SS.*PPolyproline II helixtrans-57.9153.1-179.1-175.40000109.5W114 L118 D119 K120W114-S116 PolarHBondContact O-N 3.17Å; S116-L118 PolarHBondContact O-N 3.22Å; S116-D119 VanDerWaalsContact CB-OD2 3.22Å; S116-D119 WeakPolarHBondContact CB-OD2 3.5Å; S116-D119 PolarHBondContact N-OD2 3.35Å; S116-D119 WeakPolarHBondContact O-CA 3.42Å; S116-D119 WeakPolarHBondContact O-CB 3.38Å; S116-D119 PolarHBondContact O-N 3.13Å; S116-K120 PolarHBondContact O-N 2.97Å
117L60.1Low66.2Low132 Ų132126.6 Ų126.669%0.69164%0.644SS**Hα-helixtrans-55.4-36.3176.5-169.5149.6000110.8K120 E121L117-K120 WeakPolarHBondContact O-CB 3.46Å; L117-K120 PolarHBondContact O-N 3.49Å; L117-E121 WeakPolarHBondContact O-CB 3.31Å; L117-E121 PolarHBondContact O-N 2.89Å
118L63Low68Low118 Ų118126.7 Ų126.762%0.61863%0.634SS**Hα-helixtrans-66.4-34.3173-82.672.6000113.8S116 R122S116-L118 PolarHBondContact O-N 3.22Å; L118-R122 VanDerWaalsContact O-CB 3.31Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 PolarHBondContact O-N 2.73Å
119D70.7Confident69.9Low85 Ų85123.2 Ų123.246%0.45562%0.623SS.*Hα-helixtrans-71-37.6176.7-65.3-47.7000110.8P115 S116 R122 E123P115-D119 HydrophobicContact CB-CB 4.39Å; S116-D119 VanDerWaalsContact CB-OD2 3.22Å; S116-D119 WeakPolarHBondContact CB-OD2 3.5Å; S116-D119 PolarHBondContact N-OD2 3.35Å; S116-D119 WeakPolarHBondContact O-CA 3.42Å; S116-D119 WeakPolarHBondContact O-CB 3.38Å; S116-D119 PolarHBondContact O-N 3.13Å; D119-R122 PolarHBondContact O-N 2.97Å; D119-E123 WeakPolarHBondContact O-CB 3.43Å; D119-E123 PolarHBondContact O-N 3.2Å
120K74.3Confident71.6Confident119 Ų119125.2 Ų125.252%0.51761%0.607SS.*Hα-helixtrans-61.6-49171.1-109.3176.5176.51760111.6S116 L117 R122 E123 E124S116-K120 PolarHBondContact O-N 2.97Å; L117-K120 WeakPolarHBondContact O-CB 3.46Å; L117-K120 PolarHBondContact O-N 3.49Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 3.37Å; K120-E123 PolarHBondContact O-N 2.95Å; K120-E123 VanDerWaalsContact O-N 3.15Å; K120-E124 WeakPolarHBondContact O-CB 3.4Å; K120-E124 WeakPolarHBondContact O-CG 3.43Å; K120-E124 PolarHBondContact O-N 3.24Å
121E76.3Confident73.7Confident114 Ų114124.9 Ų124.953%0.53360%0.598SS.*Hα-helixtrans-62.2-38.1178.2-172.9172.8-14800112L117 E124 S125L117-E121 WeakPolarHBondContact O-CB 3.31Å; L117-E121 PolarHBondContact O-N 2.89Å; E121-E124 PolarHBondContact O-N 3.42Å; E121-S125 WeakPolarHBondContact O-CB 3.28Å; E121-S125 PolarHBondContact O-N 3.34Å; E121-S125 PolarHBondContact O-OG 2.9Å
122R77.6Confident75.1Confident175 Ų175120.3 Ų120.366%0.6658%0.579SS**Hα-helixtrans-65.2-43.6171.4-174.4-177.6-69.8-167.9-1.5112.2L118 D119 K120 S125 L126L118-R122 VanDerWaalsContact O-CB 3.31Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 PolarHBondContact O-N 2.73Å; D119-R122 PolarHBondContact O-N 2.97Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 3.37Å; R122-S125 PolarHBondContact O-N 3.31Å; R122-L126 HydrophobicContact CG-CD1 4.49Å; R122-L126 WeakPolarHBondContact O-CG 3.37Å; R122-L126 PolarHBondContact O-N 3.23Å
123E76.6Confident76.1Confident127 Ų127116.4 Ų116.459%0.59356%0.563SS**Hα-helixtrans-66.2-38.2176.4-177168.5-14900112D119 K120 L126 R127D119-E123 WeakPolarHBondContact O-CB 3.43Å; D119-E123 PolarHBondContact O-N 3.2Å; K120-E123 PolarHBondContact O-N 2.95Å; K120-E123 VanDerWaalsContact O-N 3.15Å; E123-L126 CarbonylContact O-C 3.6Å; E123-L126 PolarHBondContact O-N 3.44Å; E123-R127 WeakPolarHBondContact O-CB 3.47Å; E123-R127 PolarHBondContact O-N 2.89Å
124E80.3Confident77.1Confident102 Ų102118.1 Ų118.148%0.47755%0.554SS.*Hα-helixtrans-67.3-41.1174.9-75.1179.2-174.600111.6K120 E121 L126 R127 Q128K120-E124 WeakPolarHBondContact O-CB 3.4Å; K120-E124 WeakPolarHBondContact O-CG 3.43Å; K120-E124 PolarHBondContact O-N 3.24Å; E121-E124 PolarHBondContact O-N 3.42Å; E124-L126 PolarHBondContact O-N 2.94Å; E124-R127 CarbonylContact O-C 3.54Å; E124-R127 WeakPolarHBondContact O-CA 3.23Å; E124-R127 WeakPolarHBondContact O-CB 3.5Å; E124-R127 PolarHBondContact O-N 3.42Å; E124-Q128 WeakPolarHBondContact O-CG 3.37Å; E124-Q128 PolarHBondContact O-N 3.29Å
125S85.1Confident78.6Confident62 Ų62112.5 Ų112.543%0.43454%0.538SS..Hα-helixtrans-59.3-44.3171.6-61.80000112E121 R122 R127 Q128 K129E121-S125 WeakPolarHBondContact O-CB 3.28Å; E121-S125 PolarHBondContact O-N 3.34Å; E121-S125 PolarHBondContact O-OG 2.9Å; R122-S125 PolarHBondContact O-N 3.31Å; S125-R127 VanDerWaalsContact C-N 3.29Å; S125-R127 PolarHBondContact O-N 2.91Å; S125-Q128 PolarHBondContact O-N 3.41Å; S125-K129 WeakPolarHBondContact O-CB 3.48Å; S125-K129 PolarHBondContact O-N 3.46Å
126L87.9Confident79.8Confident100 Ų100114.5 Ų114.552%0.52454%0.535SS..Hα-helixtrans-68.3-27174.2-70.3170.4000112.7R122 E123 E124 R130R122-L126 HydrophobicContact CG-CD1 4.49Å; R122-L126 WeakPolarHBondContact O-CG 3.37Å; R122-L126 PolarHBondContact O-N 3.23Å; E123-L126 CarbonylContact O-C 3.6Å; E123-L126 PolarHBondContact O-N 3.44Å; E124-L126 PolarHBondContact O-N 2.94Å; L126-R130 WeakPolarHBondContact O-CB 3.41Å; L126-R130 VanDerWaalsContact O-CG 3.28Å; L126-R130 WeakPolarHBondContact O-CG 3.28Å; L126-R130 PolarHBondContact O-N 3.28Å; L126-R130 PolarHBondContact O-NE 2.7Å
127R84.1Confident80.4Confident158 Ų158115.6 Ų115.660%0.59654%0.535SS*.Hα-helixtrans-74.5-43.9173.4-174.9-178.4175.4-158.6-2.8111.2E123 E124 S125 R130 L131E123-R127 WeakPolarHBondContact O-CB 3.47Å; E123-R127 PolarHBondContact O-N 2.89Å; E124-R127 CarbonylContact O-C 3.54Å; E124-R127 WeakPolarHBondContact O-CA 3.23Å; E124-R127 WeakPolarHBondContact O-CB 3.5Å; E124-R127 PolarHBondContact O-N 3.42Å; S125-R127 VanDerWaalsContact C-N 3.29Å; S125-R127 PolarHBondContact O-N 2.91Å; R127-R130 PolarHBondContact O-N 3.26Å; R127-L131 HydrophobicContact CG-CD1 4.49Å; R127-L131 WeakPolarHBondContact O-CG 3.44Å; R127-L131 PolarHBondContact O-N 3.29Å; R127-L131 VanDerWaalsContact O-N 3.09Å
128Q87.7Confident81.2Confident125 Ų125112.3 Ų112.358%0.58453%0.533SS*.Hα-helixtrans-62.1-48.3174.6-73.1176.3-5.100111E124 S125 R130 L131 S132E124-Q128 WeakPolarHBondContact O-CG 3.37Å; E124-Q128 PolarHBondContact O-N 3.29Å; S125-Q128 PolarHBondContact O-N 3.41Å; Q128-R130 VanDerWaalsContact C-N 3.27Å; Q128-R130 PolarHBondContact O-N 3.47Å; Q128-L131 WeakPolarHBondContact O-CA 3.43Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.28Å; Q128-S132 PolarHBondContact O-N 3.19Å; Q128-S132 PolarHBondContact O-OG 2.97Å
129K88.8Confident81.9Confident154 Ų154113.8 Ų113.867%0.6754%0.536SS*.Hα-helixtrans-54.8-41.5175.5-170.1170.9-176.3173.20112.5S125 L131 E133S125-K129 WeakPolarHBondContact O-CB 3.48Å; S125-K129 PolarHBondContact O-N 3.46Å; K129-L131 VanDerWaalsContact C-N 3.3Å; K129-L131 PolarHBondContact O-N 2.99Å; K129-E133 VanDerWaalsContact O-CB 3.22Å; K129-E133 WeakPolarHBondContact O-CB 3.24Å; K129-E133 PolarHBondContact O-N 3.18Å
130R88.3Confident82.2Confident118 Ų118115.1 Ų115.145%0.44554%0.543SS..Hα-helixtrans-71.9-15.6174.1-74.2178.8-65.8172.5-1.2114.6L126 R127 Q128 R134L126-R130 WeakPolarHBondContact O-CB 3.41Å; L126-R130 VanDerWaalsContact O-CG 3.28Å; L126-R130 WeakPolarHBondContact O-CG 3.28Å; L126-R130 PolarHBondContact O-N 3.28Å; L126-R130 PolarHBondContact O-NE 2.7Å; R127-R130 PolarHBondContact O-N 3.26Å; Q128-R130 VanDerWaalsContact C-N 3.27Å; Q128-R130 PolarHBondContact O-N 3.47Å; R130-R134 WeakPolarHBondContact O-CD 3.3Å; R130-R134 VanDerWaalsContact O-CG 3.24Å; R130-R134 WeakPolarHBondContact O-CG 3.41Å; R130-R134 PolarHBondContact O-NH1 2.7Å
131L87.3Confident82.1Confident87 Ų87111.1 Ų111.146%0.45554%0.536SS..Hα-helixtrans-85.9-51.9172.4-72.1167.5000109.9R127 Q128 K129 E133 R134 E135R127-L131 HydrophobicContact CG-CD1 4.49Å; R127-L131 WeakPolarHBondContact O-CG 3.44Å; R127-L131 PolarHBondContact O-N 3.29Å; R127-L131 VanDerWaalsContact O-N 3.09Å; Q128-L131 WeakPolarHBondContact O-CA 3.43Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.28Å; K129-L131 VanDerWaalsContact C-N 3.3Å; K129-L131 PolarHBondContact O-N 2.99Å; L131-E133 VanDerWaalsContact C-N 3.25Å; L131-E133 PolarHBondContact O-N 3.06Å; L131-R134 WeakPolarHBondContact O-CA 3.47Å; L131-R134 WeakPolarHBondContact O-CB 3.38Å; L131-R134 PolarHBondContact O-N 3.4Å; L131-E135 PolarHBondContact O-N 3.22Å
132S85.8Confident81.8Confident66 Ų66107.6 Ų107.646%0.46253%0.526SS..Hα-helixtrans-60-33.9175.7-51.50000112.6Q128 E135 R136Q128-S132 PolarHBondContact O-N 3.19Å; Q128-S132 PolarHBondContact O-OG 2.97Å; S132-E135 PolarHBondContact O-N 2.83Å; S132-R136 VanDerWaalsContact O-CB 3.31Å; S132-R136 WeakPolarHBondContact O-CB 3.42Å; S132-R136 PolarHBondContact O-N 2.86Å
133E82.8Confident81.2Confident100 Ų100102.9 Ų102.947%0.46752%0.518SS..Hα-helixtrans-67.1-34.9172.9-174.7172.8-154.700112.6K129 L131 I137K129-E133 VanDerWaalsContact O-CB 3.22Å; K129-E133 WeakPolarHBondContact O-CB 3.24Å; K129-E133 PolarHBondContact O-N 3.18Å; L131-E133 VanDerWaalsContact C-N 3.25Å; L131-E133 PolarHBondContact O-N 3.06Å; E133-I137 HydrophobicContact CG-CD1 4.05Å; E133-I137 WeakPolarHBondContact O-CB 3.33Å; E133-I137 VanDerWaalsContact O-CD1 3.31Å; E133-I137 WeakPolarHBondContact O-CD1 3.29Å; E133-I137 WeakPolarHBondContact O-CG1 3.27Å; E133-I137 PolarHBondContact O-N 3.45Å
134R83.2Confident80.6Confident157 Ų157106.1 Ų106.159%0.59253%0.533SS*.Hα-helixtrans-72.7-36.6174.1-72.3172.6-172.9132.6-0.8112.4R130 L131 I137 G138R130-R134 WeakPolarHBondContact O-CD 3.3Å; R130-R134 VanDerWaalsContact O-CG 3.24Å; R130-R134 WeakPolarHBondContact O-CG 3.41Å; R130-R134 PolarHBondContact O-NH1 2.7Å; L131-R134 WeakPolarHBondContact O-CA 3.47Å; L131-R134 WeakPolarHBondContact O-CB 3.38Å; L131-R134 PolarHBondContact O-N 3.4Å; R134-I137 PolarHBondContact O-N 3.47Å; R134-G138 PolarHBondContact O-N 3.47Å
135E84Confident80Confident120 Ų120106.3 Ų106.356%0.56154%0.541SS*.Hα-helixtrans-61.6-52.8174.1-175.4167.5-141.600110L131 S132 I137 G138 E139L131-E135 PolarHBondContact O-N 3.22Å; S132-E135 PolarHBondContact O-N 2.83Å; E135-I137 VanDerWaalsContact C-N 3.29Å; E135-I137 PolarHBondContact O-N 2.89Å; E135-G138 CarbonylContact O-C 3.53Å; E135-G138 VanDerWaalsContact O-CA 3.3Å; E135-G138 WeakPolarHBondContact O-CA 3.29Å; E135-G138 PolarHBondContact O-N 3.15Å; E135-E139 WeakPolarHBondContact O-CG 3.47Å; E135-E139 PolarHBondContact O-N 2.72Å
136R85Confident79.4Confident126 Ų126113.9 Ų113.948%0.47556%0.56SS.*Hα-helixtrans-55.4-39172.8-168.8-165.171.387.40.5113.4S132 G138 L140S132-R136 VanDerWaalsContact O-CB 3.31Å; S132-R136 WeakPolarHBondContact O-CB 3.42Å; S132-R136 PolarHBondContact O-N 2.86Å; R136-G138 VanDerWaalsContact C-N 3.33Å; R136-L140 HydrophobicContact CG-CD1 3.85Å; R136-L140 HydrophobicContact CG-CG 4.44Å; R136-L140 VanDerWaalsContact NH1-CD1 3.34Å; R136-L140 WeakPolarHBondContact O-CB 3.46Å; R136-L140 WeakPolarHBondContact O-CG 3.19Å; R136-L140 PolarHBondContact O-N 3.07Å
137I80.1Confident78.5Confident83 Ų83111.2 Ų111.243%0.42656%0.557SS.*Hα-helixtrans-71.7-27.2174.6-71164.9000111.7E133 R134 E135 G141E133-I137 HydrophobicContact CG-CD1 4.05Å; E133-I137 WeakPolarHBondContact O-CB 3.33Å; E133-I137 VanDerWaalsContact O-CD1 3.31Å; E133-I137 WeakPolarHBondContact O-CD1 3.29Å; E133-I137 WeakPolarHBondContact O-CG1 3.27Å; E133-I137 PolarHBondContact O-N 3.45Å; R134-I137 PolarHBondContact O-N 3.47Å; E135-I137 VanDerWaalsContact C-N 3.29Å; E135-I137 PolarHBondContact O-N 2.89Å; I137-G141 CarbonylContact O-C 3.48Å; I137-G141 WeakPolarHBondContact O-CA 3.45Å; I137-G141 PolarHBondContact O-N 3.39Å; I137-G141 VanDerWaalsContact O-N 3.11Å
138G76Confident78Confident62 Ų62111.3 Ų111.364%0.63957%0.569SS**Hα-helixtrans-72.3-44171.900000112.5R134 E135 R136R134-G138 PolarHBondContact O-N 3.47Å; E135-G138 CarbonylContact O-C 3.53Å; E135-G138 VanDerWaalsContact O-CA 3.3Å; E135-G138 WeakPolarHBondContact O-CA 3.29Å; E135-G138 PolarHBondContact O-N 3.15Å; R136-G138 VanDerWaalsContact C-N 3.33Å
139E77.9Confident77.3Confident149 Ų149110.3 Ų110.370%0.69658%0.575SS**Hα-helixtrans-69.1-53179.7-68.7177.815300112.8E135 G141E135-E139 WeakPolarHBondContact O-CG 3.47Å; E135-E139 PolarHBondContact O-N 2.72Å; E139-G141 PolarHBondContact O-N 3.14Å
140L76.7Confident76.8Confident114 Ų114108.5 Ų108.560%0.59758%0.58SS**SBendtrans-76.3-16178.8-59.9176.1000112.4R136R136-L140 HydrophobicContact CG-CD1 3.85Å; R136-L140 HydrophobicContact CG-CG 4.44Å; R136-L140 VanDerWaalsContact NH1-CD1 3.34Å; R136-L140 WeakPolarHBondContact O-CB 3.46Å; R136-L140 WeakPolarHBondContact O-CG 3.19Å; R136-L140 PolarHBondContact O-N 3.07Å
141G73.4Confident75.9Confident35 Ų35112.5 Ų112.536%0.36160%0.6SS.*  trans60.1-161.4-169.500000112.8I137 E139I137-G141 CarbonylContact O-C 3.48Å; I137-G141 WeakPolarHBondContact O-CA 3.45Å; I137-G141 PolarHBondContact O-N 3.39Å; I137-G141 VanDerWaalsContact O-N 3.11Å; E139-G141 PolarHBondContact O-N 3.14Å
142A69.7Low74.8Confident40 Ų40115.5 Ų115.533%0.33162%0.617SS.*  trans-138.466.6165.700000109.4E144 V145 W146A142-E144 PolarHBondContact O-N 3.43Å; A142-V145 HydrophobicContact CB-CB 4.21Å; A142-V145 HydrophobicContact CB-CG2 4.34Å; A142-V145 PolarHBondContact O-N 3.44Å; A142-W146 PolarHBondContact O-N 3.07Å
143P63.8Low74.2Confident76 Ų76117.6 Ų117.649%0.49463%0.629SS.*Hα-helixtrans-61.3-29.1-175.124.8-34.1000112.7V145 G147P143-V145 VanDerWaalsContact C-N 3.32Å; P143-V145 PolarHBondContact O-N 2.93Å; P143-G147 WeakPolarHBondContact O-CA 3.37Å; P143-G147 PolarHBondContact O-N 3.01Å
144E64.9Low73.3Confident194 Ų194121.3 Ų121.391%0.90765%0.646SS**Hα-helixtrans-66.3-30.7174.6-167.8179.3-17200113.1A142A142-E144 PolarHBondContact O-N 3.43Å
145V67Low72.6Confident107 Ų107119.1 Ų119.165%0.64865%0.652SS**Hα-helixtrans-93.3-35.2-177.1-178.80000112.3A142 P143A142-V145 HydrophobicContact CB-CB 4.21Å; A142-V145 HydrophobicContact CB-CG2 4.34Å; A142-V145 PolarHBondContact O-N 3.44Å; P143-V145 VanDerWaalsContact C-N 3.32Å; P143-V145 PolarHBondContact O-N 2.93Å
146W72.3Confident70.7Confident220 Ų220121 Ų12183%0.83367%0.666SS**Hα-helixtrans-112-10.8-172.4-65103.1000114.8A142A142-W146 PolarHBondContact O-N 3.07Å
147G69.9Low69.5Low45 Ų45120.6 Ų120.646%0.46468%0.683SS.*  trans71.8166.7-17300000112.9P143P143-G147 WeakPolarHBondContact O-CA 3.37Å; P143-G147 PolarHBondContact O-N 3.01Å
148L73.4Confident68.5Low159 Ų159123.1 Ų123.183%0.83270%0.697SS**PPolyproline II helixtrans-69.8139.7166.4-64.2177000109.3
149S73.1Confident67.4Low104 Ų104129 Ų12973%0.72771%0.708SS**PPolyproline II helixtrans-56.5140.9173.1-175.30000109.8K151S149-K151 PolarHBondContact O-N 2.88Å
150P77.4Confident65.7Low117 Ų117130.8 Ų130.876%0.7672%0.715SS**PPolyproline II helixtrans-51.2131174.3-26.234.7000110.7N152P150-N152 PolarHBondContact O-N 3.31Å
151K70.6Confident64.2Low202 Ų202131.1 Ų131.188%0.87872%0.722SS**PPolyproline II helixtrans-59.4138.1171.1-67-175.6177.1-174.90108.3S149S149-K151 PolarHBondContact O-N 2.88Å
152N64.6Low62.7Low150 Ų150134.7 Ų134.780%0.80274%0.739SS**PPolyproline II helixtrans-60.2137.6173.5-146.737000107.9P150 E154P150-N152 PolarHBondContact O-N 3.31Å; N152-E154 PolarHBondContact O-N 3.36Å
153P71.3Confident61.7Low109 Ų109138.8 Ų138.871%0.70876%0.76SS**PPolyproline II helixtrans-60.1139.5173.626.7-33.5000109.3
154E65.8Low60.7Low179 Ų179143.9 Ų143.984%0.83678%0.777SS**PPolyproline II helixtrans-63.6144.4174.5-70.3170.8177.200109.6N152 D156N152-E154 PolarHBondContact O-N 3.36Å; E154-D156 PolarHBondContact O-N 3.08Å
155P66.8Low59.9Low110 Ų110141.4 Ų141.471%0.71477%0.77SS**PPolyproline II helixtrans-65.8132.4177.327.4-33000110.5S157P155-S157 PolarHBondContact O-N 2.85Å; P155-S157 VanDerWaalsContact O-N 3.13Å; P155-S157 PolarHBondContact O-OG 3.46Å
156D46Very low58.6Low160 Ų160144.6 Ų144.686%0.85678%0.778SS**  trans-62111.5-177.1-140.2-9000109.7E154 D158E154-D156 PolarHBondContact O-N 3.08Å; D156-D158 PolarHBondContact O-N 3.5Å
157S59.1Low56.9Low118 Ų118142.3 Ų142.383%0.82578%0.777SS**  trans-94.560.4-170.6-63.60000111.8P155P155-S157 PolarHBondContact O-N 2.85Å; P155-S157 VanDerWaalsContact O-N 3.13Å; P155-S157 PolarHBondContact O-OG 3.46Å
158D57.8Low56.1Low135 Ų135144.9 Ų144.972%0.72279%0.785SS**  trans-141.228.9178.4-15926.5000113.3D156D156-D158 PolarHBondContact O-N 3.5Å
159E54.3Low54.2Low187 Ų187147.7 Ų147.787%0.87479%0.791SS**  trans-114.241.2174.6-159.2166-162.400111.8
160H41.9Very low52.3Low185 Ų185152.1 Ų152.186%0.85680%0.797SS**  trans-149.264.8170.9-106.8-45.1000113.1
161T44.4Very low50.3Low121 Ų121151.5 Ų151.574%0.74280%0.795SS**  trans-97.6115152.846.80000108.4
162P42.6Very low48.4Very low110 Ų110147.8 Ų147.871%0.71479%0.79SS**  trans-68.7142.1178.627.4-32.8000111
163V48.8Very low46.8Very low126 Ų126146.7 Ų146.776%0.76479%0.789SS**  trans-73.3121.2166172.50000107.8
164E43.6Very low44.8Very low184 Ų184146.8 Ų146.886%0.8679%0.792SS**  trans-112.1124.5160.2-70-117.9118.300107.9
165D46.3Very low43.1Very low142 Ų142142.4 Ų142.476%0.75979%0.787SS**  trans-74.7158.6168.3-69.9-67.1000110.6
166E39.9Very low41.3Very low174 Ų174142.4 Ų142.481%0.81379%0.789SS**  trans17599.7143-96.6-57.3145.600111
167E37.7Very low40.6Very low172 Ų172140.5 Ų140.580%0.80478%0.783SS**  trans45.4155.9139.7-75.1-86.4117.500124.5
168P52.7Low39.1Very low99 Ų99139.4 Ų139.464%0.64378%0.776SS**  trans-106.1147.3-159.139.2-32.7000115.8
169K34.3Very low37.8Very low217 Ų217141.8 Ų141.894%0.94378%0.782SS**  trans-134.8153166.7-70.3-175.4-178.5163.80114.2
170K32.3Very low36.7Very low197 Ų197140.5 Ų140.586%0.85778%0.776SS**  trans-90.4160.3-158.6-68.2172.1172.1171.90115.2
171S34.7Very low36.2Very low105 Ų105137.3 Ų137.373%0.73476%0.762SS**  trans61.2123.1137.960.40000121.3
172T31.5Very low35.6Very low124 Ų124138.2 Ų138.276%0.76176%0.756SS**  -173.6117116.629.50000108.1
173T30.4Very low35.2Very low126 Ų126143.3 Ų143.377%0.77377%0.767SS**  42.7123.1103.462.10000113.8
174S30.4Very low34.5Very low111 Ų111145.7 Ų145.778%0.77677%0.766SS**  cis-171.2155.732.447.30000113.6
175A29.7Very low34Very low88 Ų88145.5 Ų145.573%0.72776%0.763SS**  trans49140.4134.600000124.4
176S28.5Very low33.3Very low109 Ų109147.8 Ų147.876%0.76277%0.766SS**  trans83.4147.3154.6-60.70000118.9
177T31.2Very low32.9Very low120 Ų120149.4 Ų149.474%0.73677%0.771SS**  cis-153.6122.6-11.214.80000112.4
178S28Very low32.7Very low96 Ų96146.4 Ų146.467%0.67177%0.769SS**  trans25.7130.2130.165.70000122.8
179E29.9Very low31.7Very low184 Ų184147.2 Ų147.286%0.8678%0.776SS**  trans65.9157.3151.4-53.2-153.2116.300117.9
180E31.5Very low31.7Very low160 Ų160145.2 Ų145.275%0.74877%0.77SS**  cis-146.1164.516.3-144-149.1119.900114.8
181E33Very low31.9Very low118 Ų118139.2 Ų139.255%0.55175%0.753SS**  trans-6.9142.6172.1-71.6-158.915800128.7
182K31.3Very low32.5Very low141 Ų141144.4 Ų144.461%0.61376%0.762SS**  trans45.9121.1131.1-57.7177.8-164.9142.30120.6
183K33.6Very low32.7Very low217 Ų217146.6 Ų146.694%0.94376%0.764SS**  -140.7133.3123.2-110.2162.3-165.7170.10112.4
184K34.4Very low33.2Very low175 Ų175152.5 Ų152.576%0.76177%0.772SS**  trans-93.6142-171.1-81.4174.4177.3166.40113
185K32.1Very low33.7Very low180 Ų180152.7 Ų152.778%0.78377%0.773SS**  trans77.6138.3138.8-81.8179.9176.5-179.80121.3
186K31.4Very low34.3Very low190 Ų190158 Ų15883%0.82678%0.78SS**  trans75.999.7154.8-66.2170.7-179.8-177.60118.5
187K33.2Very low35Very low209 Ų209162.7 Ų162.791%0.90979%0.786SS**  -163.2123.798.7-101166.6-174.2175.50111.5
188S32.9Very low35.7Very low109 Ų109168.7 Ų168.776%0.76280%0.796SS**  trans-76.3174.615849.50000109.8
189S31.4Very low36.5Very low115 Ų115175.9 Ų175.980%0.80481%0.808SS**  trans80.97417275.90000119.8
190H34.6Very low37.2Very low175 Ų175176.5 Ų176.581%0.8181%0.808SS**  trans-139.6107.8130.5-14558.9000114.1
191S37Very low37.6Very low71 Ų71179 Ų17950%0.49782%0.816SS.*  trans-26.1132158.935.50000115.9E193S191-E193 PolarHBondContact O-N 2.84Å
192K45.8Very low38Very low215 Ų215183.5 Ų183.594%0.93583%0.834SS**  53.938.778.5-72.7-172.2175.8172.50115.9
193E37.2Very low38.4Very low169 Ų169182.4 Ų182.479%0.7984%0.844SS**  trans-134.973.9171-166.1160.2-154.400114.8S191S191-E193 PolarHBondContact O-N 2.84Å
194R40.7Very low38.9Very low251 Ų251177.4 Ų177.495%0.94784%0.836SS**SBendtrans-150.72162.2-121173.4-174.2-166.80.6117.7
195S39.9Very low39.3Very low114 Ų114178.1 Ų178.180%0.79784%0.839SS**SBendtrans-10625.5-17158.40000116.4
196K43.1Very low39.7Very low199 Ų199181 Ų18187%0.86585%0.845SS**  trans-138.449-177.5-69.2-175.5-176.4164.80115.9
197K42.9Very low40.5Very low208 Ų208181 Ų18190%0.90485%0.846SS**SBendtrans-147.150.8172.9-130.6177.8-171.6179.60115.7
198R46Very low40.9Very low247 Ų247179.1 Ų179.193%0.93284%0.84SS**  trans-155.638.4174.1-127.2172.8177.3-145.8-4.5118.8
199R44.8Very low41.3Very low247 Ų247183 Ų18393%0.93284%0.842SS**  trans-144.273.1169.2-75.4-164.4171.5173.8-2.2115
200K44.7Very low41.8Very low197 Ų197186.1 Ų186.186%0.85784%0.842SS**  trans-153.8154.6153.6-77.8-158.1179-179.20109
201K40.1Very low41.8Very low212 Ų212188.2 Ų188.292%0.92284%0.844SS**  trans71.8125.3-153.3-50.7177.8179.7-174.60109.7
202K40.7Very low41.7Very low213 Ų213190 Ų19093%0.92686%0.857SS**  cis-123.6146.67.2-60.1170.9178.9176.30110.1
203S40.7Very low41.2Very low117 Ų117188.2 Ų188.282%0.81885%0.852SS**  trans-132.3125.9167.257.60000110.1
204S43.7Very low41.1Very low112 Ų112187.5 Ų187.578%0.78385%0.853SS**  trans-41.6123.1-171.9360000117.1R206S204-R206 PolarHBondContact O-N 3.28Å
205K43.3Very low40.7Very low191 Ų191181.3 Ų181.383%0.8385%0.849SS**  trans-81.779.9165.2-172.1171.6-177175.60109.5K207K205-K207 PolarHBondContact O-N 2.81Å
206R40.1Very low40.9Very low239 Ų239183.2 Ų183.290%0.90285%0.85SS**  trans-75.3109.1167.9-92.2-175.2168.3179-4.5109.2S204S204-R206 PolarHBondContact O-N 3.28Å
207K48Very low40.4Very low192 Ų192179.4 Ų179.484%0.83585%0.848SS**  trans-69.9133.1169.3-65.3-179177.5-178.30108.9K205K205-K207 PolarHBondContact O-N 2.81Å
208H42Very low40.3Very low169 Ų169177.4 Ų177.478%0.78285%0.847SS**  trans-98.2114.8163.5-171.9-68.8000107.4K210H208-K210 PolarHBondContact O-N 3.4Å
209K41.1Very low39.8Very low189 Ų189170.9 Ų170.982%0.82284%0.84SS**  trans-71123.4174.5-161.4173.4-175.9179.90107.6
210K41.7Very low39.7Very low182 Ų182167 Ų16779%0.79184%0.837SS**  trans-125.1134.9167.4-130.9-169.4178.9-161.60106.1H208H208-K210 PolarHBondContact O-N 3.4Å
211Y33.7Very low39.1Very low218 Ų218162.2 Ų162.286%0.85583%0.829SS**  trans-66.3142.7172.5-89.5-109.8000110
212S35.5Very low39.2Very low110 Ų110161.4 Ų161.477%0.76983%0.828SS**  trans-153.7130.8153.7500000106.5
213E35.3Very low39.1Very low177 Ų177157 Ų15783%0.82782%0.82SS**  trans-70.6165.1174.7-67.3121.8141.300112.3
214D34.8Very low39.6Very low153 Ų153157.2 Ų157.282%0.81881%0.811SS**  trans-46.5138.9176.2-83.8-110.7000115.5
215S33.2Very low39.9Very low122 Ų122157 Ų15785%0.85381%0.81SS**  trans-168.7119.1140.3-150.50000110.3
216D43.5Very low40.3Very low153 Ų153151.5 Ų151.582%0.81880%0.795SS**  trans-75.2137175-62.4-63.9000112.3
217S32.8Very low41.1Very low119 Ų119145.4 Ų145.483%0.83278%0.781SS**  trans-167.4113.3152.7-158.60000111
218D41.8Very low41.3Very low166 Ų166140.2 Ų140.289%0.88876%0.759SS**  trans-73.4132170.2-78.1-61.7000111.3
219S34.8Very low42.3Very low110 Ų110137.5 Ų137.577%0.76975%0.75SS**  trans-159.5100.5165.4-157.30000111.5
220D42.4Very low43.6Very low166 Ų166133.1 Ų133.189%0.88874%0.736SS**  trans-67.4128.1172.8-77.9-53.9000111.5
221S32.9Very low45Very low96 Ų96129.5 Ų129.567%0.67172%0.72SS**  trans-14796161.852.20000111.4T223S221-T223 PolarHBondContact O-N 3.49Å
222E41.6Very low46.7Very low196 Ų196126.5 Ų126.592%0.91671%0.708SS**  trans-66.6108.8168.3-76.1-69.9128.600109.7
223T39Very low48.4Very low121 Ų121130.3 Ų130.374%0.74271%0.705SS**  trans-144.4133.1175.9172.40000112.3S221 S225S221-T223 PolarHBondContact O-N 3.49Å; T223-S225 PolarHBondContact O-N 3.02Å
224D49.9Very low50.3Low121 Ų121124.2 Ų124.265%0.64769%0.685SS**  trans-57111.1-158.7-172.51.4000115S226D224-S226 WeakPolarHBondContact OD1-CB 3.46Å; D224-S226 PolarHBondContact OD1-N 3.49Å; D224-S226 PolarHBondContact OD1-OG 2.99Å
225S49.7Very low52.2Low108 Ų108123.4 Ų123.476%0.75567%0.674SS**  trans-9610177.2-143.50000114T223T223-S225 PolarHBondContact O-N 3.02Å
226S53.5Low54.2Low74 Ų74124.6 Ų124.652%0.51766%0.664SS.*Hα-helixtrans-80.5-29-171.8-50.40000113.9D224 N230D224-S226 WeakPolarHBondContact OD1-CB 3.46Å; D224-S226 PolarHBondContact OD1-N 3.49Å; D224-S226 PolarHBondContact OD1-OG 2.99Å; S226-N230 PolarHBondContact O-ND2 3.31Å
227D55.3Low55.9Low112 Ų112120 Ų12060%0.59965%0.647SS**Hα-helixtrans-80.9-42.4-167.4-147.6-38.8000113.1D229 N230 K231D227-D229 VanDerWaalsContact C-N 3.29Å; D227-D229 PolarHBondContact O-N 2.83Å; D227-N230 PolarHBondContact O-N 3.12Å; D227-K231 WeakPolarHBondContact O-CB 3.5Å; D227-K231 PolarHBondContact O-N 3.44Å
228E54Low58Low83 Ų83121.2 Ų121.239%0.38864%0.637SS.*Hα-helixtrans-62-34.3180-95.8-63.8133.300112.8K231 R232E228-K231 WeakPolarHBondContact O-CB 3.23Å; E228-K231 PolarHBondContact O-N 2.9Å; E228-K231 WeakPolarHBondContact OE1-CD 3.31Å; E228-K231 WeakPolarHBondContact OE1-CE 3.27Å; E228-K231 IonicContact OE1-NZ 2.58Å; E228-K231 PolarHBondContact OE1-NZ 2.81Å; E228-R232 WeakPolarHBondContact O-CB 3.1Å; E228-R232 WeakPolarHBondContact O-CD 3.18Å; E228-R232 WeakPolarHBondContact O-CG 3.08Å; E228-R232 PolarHBondContact O-N 3.03Å; E228-R232 IonicContact OE2-NE 3.05Å
229D61.3Low59.7Low111 Ų111121.4 Ų121.459%0.59463%0.63SS**Hα-helixtrans-75.5-33.4178.9-130.50.3000112.3D227 R232 R233D227-D229 VanDerWaalsContact C-N 3.29Å; D227-D229 PolarHBondContact O-N 2.83Å; D229-R232 PolarHBondContact O-N 3.27Å; D229-R233 VanDerWaalsContact O-CB 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.47Å; D229-R233 PolarHBondContact O-N 3.23Å
230N68.3Low61.7Low98 Ų98122.9 Ų122.952%0.52462%0.622SS.*Hα-helixtrans-63.1-43.9168.4-88.4-43.8000111.8S226 D227 R232 R233 A234S226-N230 PolarHBondContact O-ND2 3.31Å; D227-N230 PolarHBondContact O-N 3.12Å; N230-R232 VanDerWaalsContact C-N 3.35Å; N230-R232 PolarHBondContact O-N 3.07Å; N230-R233 PolarHBondContact O-N 3.1Å; N230-A234 WeakPolarHBondContact O-CB 3.12Å; N230-A234 PolarHBondContact O-N 2.78Å
231K71.3Confident63.3Low105 Ų105119.3 Ų119.346%0.45760%0.601SS.*Hα-helixtrans-60.9-40.7175.1-156.8-176.7-163.21700111.9D227 E228 K235D227-K231 WeakPolarHBondContact O-CB 3.5Å; D227-K231 PolarHBondContact O-N 3.44Å; E228-K231 WeakPolarHBondContact O-CB 3.23Å; E228-K231 PolarHBondContact O-N 2.9Å; E228-K231 WeakPolarHBondContact OE1-CD 3.31Å; E228-K231 WeakPolarHBondContact OE1-CE 3.27Å; E228-K231 IonicContact OE1-NZ 2.58Å; E228-K231 PolarHBondContact OE1-NZ 2.81Å; K231-K235 WeakPolarHBondContact O-CB 3.29Å; K231-K235 VanDerWaalsContact O-CG 3.3Å; K231-K235 WeakPolarHBondContact O-CG 3.45Å; K231-K235 PolarHBondContact O-N 2.86Å
232R70.3Confident65.3Low155 Ų155121.8 Ų121.859%0.58560%0.599SS**Hα-helixtrans-65-43.2172.9-72.2164.9-175.7-153.5-0.3111.8E228 D229 N230 K235 K236E228-R232 WeakPolarHBondContact O-CB 3.1Å; E228-R232 WeakPolarHBondContact O-CD 3.18Å; E228-R232 WeakPolarHBondContact O-CG 3.08Å; E228-R232 PolarHBondContact O-N 3.03Å; E228-R232 IonicContact OE2-NE 3.05Å; D229-R232 PolarHBondContact O-N 3.27Å; N230-R232 VanDerWaalsContact C-N 3.35Å; N230-R232 PolarHBondContact O-N 3.07Å; R232-K235 PolarHBondContact O-N 3.48Å; R232-K236 WeakPolarHBondContact O-CB 2.98Å; R232-K236 PolarHBondContact O-N 2.82Å
233R71.4Confident66.7Low191 Ų191120.5 Ų120.572%0.72159%0.591SS**Hα-helixtrans-64.5-42.2177.2-164.8173.3-178.5179.6-1.3111.9D229 N230 K236 A237D229-R233 VanDerWaalsContact O-CB 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.47Å; D229-R233 PolarHBondContact O-N 3.23Å; N230-R233 PolarHBondContact O-N 3.1Å; R233-K236 WeakPolarHBondContact O-CB 3.17Å; R233-K236 PolarHBondContact O-N 3.17Å; R233-A237 PolarHBondContact O-N 2.85Å
234A75.4Confident68.3Low48 Ų48122.3 Ų122.340%0.39759%0.588SS.*Hα-helixtrans-63.7-45.7174.900000112.5N230 K236 A237 K238N230-A234 WeakPolarHBondContact O-CB 3.12Å; N230-A234 PolarHBondContact O-N 2.78Å; A234-K236 VanDerWaalsContact C-N 3.29Å; A234-K236 PolarHBondContact O-N 3.23Å; A234-A237 PolarHBondContact O-N 3.35Å; A234-K238 PolarHBondContact O-N 2.95Å
235K74.4Confident69.1Low136 Ų136122.3 Ų122.359%0.59158%0.583SS**Hα-helixtrans-57.3-41.7172.6-74.4170.3-178.3173.70111.5K231 R232 K239K231-K235 WeakPolarHBondContact O-CB 3.29Å; K231-K235 VanDerWaalsContact O-CG 3.3Å; K231-K235 WeakPolarHBondContact O-CG 3.45Å; K231-K235 PolarHBondContact O-N 2.86Å; R232-K235 PolarHBondContact O-N 3.48Å; K235-K239 PolarHBondContact O-N 3.23Å; K235-K239 VanDerWaalsContact O-N 3.1Å
236K75.3Confident69.7Low148 Ų148123.9 Ų123.964%0.64358%0.577SS**Hα-helixtrans-67.9-34.8177.3-160.1171-171.4170.70112.7R232 R233 A234 K240R232-K236 WeakPolarHBondContact O-CB 2.98Å; R232-K236 PolarHBondContact O-N 2.82Å; R233-K236 WeakPolarHBondContact O-CB 3.17Å; R233-K236 PolarHBondContact O-N 3.17Å; A234-K236 VanDerWaalsContact C-N 3.29Å; A234-K236 PolarHBondContact O-N 3.23Å; K236-K240 WeakPolarHBondContact O-CG 3.19Å; K236-K240 PolarHBondContact O-N 2.97Å
237A78.1Confident70Confident55 Ų55129.3 Ų129.346%0.45559%0.587SS.*Hα-helixtrans-67.1-52.8173.600000111.8R233 A234 K239 K240 E241R233-A237 PolarHBondContact O-N 2.85Å; A234-A237 PolarHBondContact O-N 3.35Å; A237-K239 VanDerWaalsContact C-N 3.25Å; A237-K239 PolarHBondContact O-N 2.7Å; A237-K240 WeakPolarHBondContact O-CB 3.4Å; A237-K240 PolarHBondContact O-N 2.72Å; A237-E241 PolarHBondContact O-N 2.89Å
238K78.1Confident70.3Confident146 Ų146127.2 Ų127.264%0.63558%0.581SS**Hα-helixtrans-56.2-37.3176.9-70.4-177177.8-179.40112.1A234 E241 K242A234-K238 PolarHBondContact O-N 2.95Å; K238-E241 PolarHBondContact O-N 3.17Å; K238-K242 PolarHBondContact O-N 3.39Å; K238-K242 VanDerWaalsContact O-N 3.1Å
239K76.6Confident70.6Confident169 Ų169130.8 Ų130.874%0.73560%0.595SS**Hα-helixtrans-66.4-38.7174.1-168.1170.3-175.2171.40113.2K235 A237 K243K235-K239 PolarHBondContact O-N 3.23Å; K235-K239 VanDerWaalsContact O-N 3.1Å; A237-K239 VanDerWaalsContact C-N 3.25Å; A237-K239 PolarHBondContact O-N 2.7Å; K239-K243 PolarHBondContact O-N 3.18Å
240K76.2Confident70.4Confident141 Ų141133.1 Ų133.161%0.61360%0.6SS**Hα-helixtrans-67.9-39.7174.7-77.3179.4176-177.90111.9K236 A237 K243 K244K236-K240 WeakPolarHBondContact O-CG 3.19Å; K236-K240 PolarHBondContact O-N 2.97Å; A237-K240 WeakPolarHBondContact O-CB 3.4Å; A237-K240 PolarHBondContact O-N 2.72Å; K240-K243 PolarHBondContact O-N 3.44Å; K240-K244 PolarHBondContact O-N 3.36Å; K240-K244 VanDerWaalsContact O-N 3.09Å
241E77.3Confident69.7Low92 Ų92136.6 Ų136.643%0.4361%0.607SS.*Hα-helixtrans-66.4-47.8-179.6-162.8-157.2145.500112.1A237 K238 K243 K244 K245A237-E241 PolarHBondContact O-N 2.89Å; K238-E241 PolarHBondContact O-N 3.17Å; E241-K243 VanDerWaalsContact C-N 3.27Å; E241-K243 PolarHBondContact O-N 3.38Å; E241-K244 WeakPolarHBondContact O-CB 3.2Å; E241-K244 PolarHBondContact O-N 2.62Å; E241-K245 PolarHBondContact O-N 3.1Å; E241-K245 WeakPolarHBondContact OE1-CE 3.37Å; E241-K245 IonicContact OE1-NZ 3.76Å; E241-K245 PolarHBondContact OE1-NZ 3.13Å
242K73.6Confident69.1Low147 Ų147139.9 Ų139.964%0.63962%0.621SS**Hα-helixtrans-53.8-44.3172.9-72.6-172.7178.2-172.10111.2K238 K244 K245 H246K238-K242 PolarHBondContact O-N 3.39Å; K238-K242 VanDerWaalsContact O-N 3.1Å; K242-K244 VanDerWaalsContact C-N 3.34Å; K242-K244 PolarHBondContact O-N 3.12Å; K242-K245 PolarHBondContact O-N 3.07Å; K242-H246 PolarHBondContact O-CD2 3.35Å; K242-H246 PolarHBondContact O-N 3.39Å; K242-H246 VanDerWaalsContact O-N 3.1Å
243K71.8Confident68.3Low169 Ų169139.9 Ų139.974%0.73563%0.625SS**Hα-helixtrans-62.6-34176.7-168.8169.5-178.8173.20113.4K239 K240 E241 R247K239-K243 PolarHBondContact O-N 3.18Å; K240-K243 PolarHBondContact O-N 3.44Å; E241-K243 VanDerWaalsContact C-N 3.27Å; E241-K243 PolarHBondContact O-N 3.38Å; K243-R247 PolarHBondContact O-N 3.17Å
244K72.3Confident67.6Low160 Ų160138.6 Ų138.670%0.69663%0.625SS**Hα-helixtrans-67.2-45.2171.7-71.8-175.6177.5-175.20111.7K240 E241 K242 H246 R247 S248K240-K244 PolarHBondContact O-N 3.36Å; K240-K244 VanDerWaalsContact O-N 3.09Å; E241-K244 WeakPolarHBondContact O-CB 3.2Å; E241-K244 PolarHBondContact O-N 2.62Å; K242-K244 VanDerWaalsContact C-N 3.34Å; K242-K244 PolarHBondContact O-N 3.12Å; K244-H246 VanDerWaalsContact C-N 3.35Å; K244-H246 PolarHBondContact O-N 3.47Å; K244-R247 PolarHBondContact O-N 3.4Å; K244-R247 VanDerWaalsContact O-N 3.07Å; K244-S248 PolarHBondContact O-N 3.36Å; K244-S248 VanDerWaalsContact O-N 3.13Å
245K67.9Low66.5Low121 Ų121144.6 Ų144.653%0.52664%0.642SS.*Hα-helixtrans-61.8-35.5179.4-69.2-178-179.4173.10113.2E241 K242 S248 K249E241-K245 PolarHBondContact O-N 3.1Å; E241-K245 WeakPolarHBondContact OE1-CE 3.37Å; E241-K245 IonicContact OE1-NZ 3.76Å; E241-K245 PolarHBondContact OE1-NZ 3.13Å; K242-K245 PolarHBondContact O-N 3.07Å; K245-S248 PolarHBondContact O-OG 3.05Å; K245-S248 VanDerWaalsContact O-OG 3.1Å; K245-K249 WeakPolarHBondContact O-CG 3.41Å; K245-K249 PolarHBondContact O-N 3.2Å
246H61.3Low65.5Low140 Ų140141.4 Ų141.465%0.64864%0.637SS**Hα-helixtrans-69.8-33.1172.6-72.8-76.9000113.2K242 K244 K250K242-H246 PolarHBondContact O-CD2 3.35Å; K242-H246 PolarHBondContact O-N 3.39Å; K242-H246 VanDerWaalsContact O-N 3.1Å; K244-H246 VanDerWaalsContact C-N 3.35Å; K244-H246 PolarHBondContact O-N 3.47Å; H246-K250 PolarHBondContact O-N 3.45Å
247R60.7Low64.5Low188 Ų188142.2 Ų142.271%0.70964%0.64SS**Hα-helixtrans-70.5-37.8178.4-172.5174.1173.8174.2-2.5112.4K243 K244 K250 Y251K243-R247 PolarHBondContact O-N 3.17Å; K244-R247 PolarHBondContact O-N 3.4Å; K244-R247 VanDerWaalsContact O-N 3.07Å; R247-K250 PolarHBondContact O-N 3.23Å; R247-Y251 PolarHBondContact O-N 3.09Å
248S59.9Low62.9Low69 Ų69146.4 Ų146.448%0.48365%0.648SS.*Hα-helixtrans-70.6-40.4177.259.20000112.7K244 K245 K250 Y251 K252K244-S248 PolarHBondContact O-N 3.36Å; K244-S248 VanDerWaalsContact O-N 3.13Å; K245-S248 PolarHBondContact O-OG 3.05Å; K245-S248 VanDerWaalsContact O-OG 3.1Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.24Å; S248-Y251 PolarHBondContact O-N 3.11Å; S248-Y251 VanDerWaalsContact O-N 3.12Å; S248-K252 PolarHBondContact O-N 3.44Å; S248-K252 VanDerWaalsContact O-N 3.17Å
249K60.3Low61.5Low158 Ų158143.7 Ų143.769%0.68765%0.648SS**Hα-helixtrans-58.4-37.9173.1-72-174.2178.6-169.80112.4K245 Y251 K253K245-K249 WeakPolarHBondContact O-CG 3.41Å; K245-K249 PolarHBondContact O-N 3.2Å; K249-Y251 VanDerWaalsContact C-N 3.33Å; K249-Y251 PolarHBondContact O-N 3.25Å; K249-K253 PolarHBondContact O-N 3.46Å
250K57.9Low60.1Low159 Ų159146.4 Ų146.469%0.69165%0.654SS**Hα-helixtrans-66.7-29.5176.4-167.5170.9-176.6173.70113.4H246 R247 S248H246-K250 PolarHBondContact O-N 3.45Å; R247-K250 PolarHBondContact O-N 3.23Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.24Å
251Y52.8Low58.7Low172 Ų172148.6 Ų148.668%0.67566%0.663SS**Hα-helixtrans-75.9-43.9175.8-102.7-97.7000112.4R247 S248 K249 K253 K254 K255R247-Y251 PolarHBondContact O-N 3.09Å; S248-Y251 PolarHBondContact O-N 3.11Å; S248-Y251 VanDerWaalsContact O-N 3.12Å; K249-Y251 VanDerWaalsContact C-N 3.33Å; K249-Y251 PolarHBondContact O-N 3.25Å; Y251-K253 VanDerWaalsContact C-N 3.35Å; Y251-K253 PolarHBondContact O-N 2.88Å; Y251-K254 PolarHBondContact O-N 3.03Å; Y251-K254 VanDerWaalsContact O-N 3.09Å; Y251-K255 PolarHBondContact O-N 3.21Å
252K58.3Low56.7Low174 Ų174151.2 Ų151.276%0.75768%0.676SS**Hα-helixtrans-60.1-40.3178.8-72.7-166.4172.4-168.60112.7S248 K254 K255S248-K252 PolarHBondContact O-N 3.44Å; S248-K252 VanDerWaalsContact O-N 3.17Å; K252-K254 PolarHBondContact O-N 3.06Å; K252-K255 PolarHBondContact O-N 3.13Å
253K55.1Low55.1Low154 Ų154149 Ų14967%0.6768%0.678SS**Hα-helixtrans-67.1-15.1176.7-168.7166.6-177171.60114.5K249 Y251K249-K253 PolarHBondContact O-N 3.46Å; Y251-K253 VanDerWaalsContact C-N 3.35Å; Y251-K253 PolarHBondContact O-N 2.88Å
254K56.6Low53.2Low164 Ų164146.8 Ų146.871%0.71368%0.684SS**Hα-helixtrans-85.7-30.9172-80.7-159.9170-161.30113.1Y251 K252Y251-K254 PolarHBondContact O-N 3.03Å; Y251-K254 VanDerWaalsContact O-N 3.09Å; K252-K254 PolarHBondContact O-N 3.06Å
255K51.7Low51.1Low175 Ų175146.7 Ų146.776%0.76169%0.691SS**Hα-helixtrans-71.2-42.9-179.4-158.3179.9-177.9-172.30111.7Y251 K252 K257 K258Y251-K255 PolarHBondContact O-N 3.21Å; K252-K255 PolarHBondContact O-N 3.13Å; K255-K257 PolarHBondContact O-N 3.09Å; K255-K258 PolarHBondContact O-N 3.4Å; K255-K258 VanDerWaalsContact O-N 3.11Å
256S53.8Low49.4Very low68 Ų68146 Ų14648%0.47670%0.701SS.*THydrogen-bonded Turntrans-69.9-12.9179.360.90000115.3
257K54.3Low47.8Very low165 Ų165144.6 Ų144.672%0.71771%0.708SS**THydrogen-bonded Turntrans-85.3-15171.2-79.8-158.7170.9-158.30113.7K255K255-K257 PolarHBondContact O-N 3.09Å
258K45.2Very low46.3Very low143 Ų143140.3 Ų140.362%0.62271%0.707SS**THydrogen-bonded Turntrans-88.1-38.4176.1-176.4158.4179.1169.90112.2K255 R260 K261 E262K255-K258 PolarHBondContact O-N 3.4Å; K255-K258 VanDerWaalsContact O-N 3.11Å; K258-R260 PolarHBondContact O-N 2.93Å; K258-K261 PolarHBondContact O-N 2.77Å; K258-E262 WeakPolarHBondContact CE-OE1 3.45Å; K258-E262 IonicContact NZ-OE1 3.07Å
259S47.8Very low44.9Very low90 Ų90146.9 Ų146.963%0.62973%0.726SS**THydrogen-bonded Turntrans-73.58.8178.9640000115.6
260R48Very low43.4Very low225 Ų225147.9 Ų147.985%0.84973%0.734SS**THydrogen-bonded Turntrans-111.310.6178-105.6-168.7-178-166.70.2113K258K258-R260 PolarHBondContact O-N 2.93Å
261K45.2Very low42.3Very low187 Ų187145.7 Ų145.781%0.81374%0.738SS**SBendtrans-130.318.4-176.7-153.1175.6176.9178.30113.4K258K258-K261 PolarHBondContact O-N 2.77Å
262E36Very low41.1Very low148 Ų148145 Ų14569%0.69274%0.741SS**SBendtrans-132.933.2-177.3-64.8175.9-163.700110K258K258-E262 WeakPolarHBondContact CE-OE1 3.45Å; K258-E262 IonicContact NZ-OE1 3.07Å
263S39.1Very low39.7Very low100 Ų100143.5 Ų143.570%0.69974%0.737SS**  trans-151.775178.566.30000111.9
264S32.6Very low38.7Very low123 Ų123144.2 Ų144.286%0.8674%0.743SS**  trans-163.389.6164.456.60000107.8
265D29.4Very low37.3Very low157 Ų157144.7 Ų144.784%0.8475%0.745SS**  trans-120.5145.6176.5-167.7-0.1000108.6
266S31Very low36.3Very low106 Ų106142.1 Ų142.174%0.74174%0.739SS**  trans18.2129169.4-1640000121.8
267S27.4Very low35.3Very low111 Ų111146.8 Ų146.878%0.77675%0.753SS**  -169.8122125.4-172.20000113.8
268S30.4Very low34.5Very low99 Ų99146 Ų14669%0.69276%0.757SS**  trans21.1131.4145.7-167.20000122.4
269K30.3Very low34.8Very low206 Ų206144.7 Ų144.790%0.89676%0.763SS**  -163.7143.3112.5-109.1177179.9-173.70115.1
270E29.3Very low34.2Very low179 Ų179151.5 Ų151.584%0.83678%0.775SS**  trans-92.5-175.1173.5-167.6174.1127.100110.5
271S33.7Very low33.6Very low113 Ų113149.8 Ų149.879%0.7977%0.774SS**  trans85.2139.5-175.2-48.20000114.3
272Q28.2Very low33.1Very low157 Ų157148 Ų14873%0.73477%0.773SS**  cis-169.2160.22.5155.7174.817.800110.5
273E28.2Very low33.3Very low143 Ų143150.3 Ų150.367%0.66878%0.775SS**  trans23120.1162-87151.5151.500120.4
274E34.9Very low33.4Very low170 Ų170152.6 Ų152.679%0.79479%0.785SS**  88.9145.879.2-168.7171.7-14800114.1
275F26.8Very low33.6Very low174 Ų174155.2 Ų155.276%0.76378%0.781SS**  trans103.9119158.4-145-127.9000118.7
276L31.7Very low33.9Very low121 Ų121152.6 Ų152.663%0.63478%0.781SS**  trans70.6141.7167.1-50.4179.3000119.8
277E31.2Very low34.2Very low165 Ų165156.4 Ų156.477%0.77179%0.787SS**  cis-166.4134.1-27.3-165.5164-161.100107.1
278N38.9Very low35.1Very low150 Ų150158.7 Ų158.780%0.80279%0.786SS**  trans-85.1144.3175.9-76.917.3000110.5
279P50.5Low36.1Very low114 Ų114159.8 Ų159.874%0.7479%0.791SS**  -147.1120123.527.5-7.1000118.5
280W35.3Very low37.2Very low234 Ų234153.8 Ų153.889%0.88677%0.774SS**  trans43.4112.1135.3-58.682.7000122.6
281K36.4Very low38.5Very low189 Ų189151.7 Ų151.782%0.82277%0.769SS**  155.8146.8127.5-83.6156.8-171.5175.10110.2
282D32.8Very low39.8Very low148 Ų148154 Ų15479%0.79177%0.772SS**  cis-144.2161.64-129.5-38.2000111.6
283R40.7Very low41.1Very low197 Ų197154.5 Ų154.574%0.74378%0.777SS**  trans-103.1128.9-178.9-61.217097.4-153.120.3111.4
284T40.6Very low43Very low148 Ų148150.2 Ų150.291%0.90877%0.772SS**  trans-129.5125.9146.846.70000109.4
285K37.1Very low44.8Very low179 Ų179148.4 Ų148.478%0.77878%0.775SS**  trans-106135.3179.5-80.1-171.6168.9-162.70110.1
286A35.8Very low46.9Very low101 Ų101146.9 Ų146.984%0.83577%0.77SS**  trans-172.1132.3143.300000106.5
287E38.6Very low48.3Very low186 Ų186145 Ų14587%0.86977%0.772SS**  cis-156134.4-10.4-175.9172.5-155.800105.1
288E44.9Very low49.6Very low160 Ų160142.8 Ų142.875%0.74877%0.772SS**  trans-86.3152.6179.6-88-149.6147.500111.4
289P51.1Low50.6Low122 Ų122142.9 Ų142.979%0.79277%0.765SS**  -108125.6115.529.8-33.6000111.5
290S55.2Low50.5Low79 Ų79143.2 Ų143.255%0.55277%0.765SS**  trans-44.9159.8179.443.60000117
291D56.3Low51.1Low135 Ų135137.1 Ų137.172%0.72275%0.75SS**  trans87.346.9163.8-54-27.2000118.6
292L59.9Low51.7Low162 Ų162133.2 Ų133.285%0.84874%0.742SS**  trans-113.460.9157.1-84143.2000111.7G294L292-G294 PolarHBondContact O-N 2.74Å; L292-G294 VanDerWaalsContact O-N 3.17Å
293I56.7Low52.5Low167 Ų167129.2 Ų129.286%0.85673%0.725SS**  trans-70108167.4-84.663.3000108.8
294G68.3Low53Low54 Ų54124.5 Ų124.556%0.55771%0.712SS**SBendtrans145.5155.517500000112L292 E296L292-G294 PolarHBondContact O-N 2.74Å; L292-G294 VanDerWaalsContact O-N 3.17Å; G294-E296 PolarHBondContact O-N 2.88Å
295P72.5Confident53.5Low131 Ų131121.7 Ų121.785%0.85169%0.691SS**SBendtrans-60.6132.8173.126.3-33.5000110A297P295-A297 PolarHBondContact O-N 2.93Å
296E69.6Low54.3Low143 Ų143119.3 Ų119.367%0.66869%0.687SS**  trans-46114.9-179-172.8-173.6-175.300110.1G294 K299G294-E296 PolarHBondContact O-N 2.88Å; E296-K299 WeakPolarHBondContact OE1-CE 3.44Å; E296-K299 IonicContact OE1-NZ 3.24Å; E296-K299 PolarHBondContact OE1-NZ 2.91Å; E296-K299 IonicContact OE2-NZ 3.86Å
297A62.3Low55.4Low81 Ų81118.9 Ų118.967%0.66967%0.666SS**  trans-55.9126.1-175.400000109.1P295 K299P295-A297 PolarHBondContact O-N 2.93Å; A297-K299 PolarHBondContact O-N 3.16Å
298P58.5Low56.4Low119 Ų119116.1 Ų116.177%0.77366%0.664SS**  trans-59.2112.7-166.921.6-33.4000109.7T300P298-T300 PolarHBondContact O-N 3.12Å
299K60.3Low57.2Low151 Ų151110.9 Ų110.966%0.65764%0.641SS**  trans-39.5105.6-173-67.6175.1-174.7172.20109.5E296 A297 L301E296-K299 WeakPolarHBondContact OE1-CE 3.44Å; E296-K299 IonicContact OE1-NZ 3.24Å; E296-K299 PolarHBondContact OE1-NZ 2.91Å; E296-K299 IonicContact OE2-NZ 3.86Å; A297-K299 PolarHBondContact O-N 3.16Å; K299-L301 PolarHBondContact O-N 3.22Å
300T48.1Very low58.1Low122 Ų122112 Ų11275%0.74864%0.641SS**  trans-60.5112.5-175.957.80000107.2P298 T302P298-T300 PolarHBondContact O-N 3.12Å; T300-T302 PolarHBondContact O-N 2.83Å
301L48.2Very low58.9Low106 Ų106109.6 Ų109.656%0.55562%0.619SS**  trans-6785.1-173.7-70.1161.6000108.8K299 S303 Q304 K307K299-L301 PolarHBondContact O-N 3.22Å; L301-S303 PolarHBondContact O-N 3.32Å; L301-Q304 PolarHBondContact O-N 3.43Å; L301-K307 VanDerWaalsContact CD1-NZ 3.35Å
302T48.6Very low59.7Low107 Ų107104.4 Ų104.466%0.65660%0.598SS**SBendtrans-62.1-31.3171.942.30000110.1T300 Q304T300-T302 PolarHBondContact O-N 2.83Å; T302-Q304 VanDerWaalsContact C-N 3.31Å; T302-Q304 PolarHBondContact O-N 3.24Å
303S49.1Very low60.4Low63 Ų63105.9 Ų105.944%0.44160%0.6SS.*  trans-83.263.2164.6-46.90000112.3L301 D305 D306L301-S303 PolarHBondContact O-N 3.32Å; S303-D305 PolarHBondContact O-N 3.21Å; S303-D306 WeakPolarHBondContact CB-OD2 3.41Å
304Q51.6Low61.2Low99 Ų99100.8 Ų100.846%0.46358%0.583SS.*G310 helixtrans-65.1-15.3158.8-83.5-95.7-21.800111.3L301 T302 D306L301-Q304 PolarHBondContact O-N 3.43Å; T302-Q304 VanDerWaalsContact C-N 3.31Å; T302-Q304 PolarHBondContact O-N 3.24Å; Q304-D306 PolarHBondContact O-N 3.33Å
305D51.9Low61.6Low89 Ų8999 Ų9948%0.47656%0.561SS.*G310 helixtrans-73.6-22.6-172.4-70.8-57000115.7S303 R382S303-D305 PolarHBondContact O-N 3.21Å; D305-R382 PolarHBondContact O-NH2 2.88Å; D305-R382 IonicContact OD1-CZ 3.65Å; D305-R382 IonicContact OD1-NE 3.89Å; D305-R382 PolarHBondContact OD1-NE 2.86Å; D305-R382 IonicContact OD1-NH2 3.61Å; D305-R382 PolarHBondContact OD1-NH2 2.81Å
306D52.7Low61.7Low128 Ų12898.6 Ų98.668%0.68455%0.551SS**G310 helixtrans-100.2-0.6-176.7-54.9-48.6000113.4S303 Q304S303-D306 WeakPolarHBondContact CB-OD2 3.41Å; Q304-D306 PolarHBondContact O-N 3.33Å
307K59.8Low62.1Low93 Ų9398.2 Ų98.240%0.40456%0.561SS.*SBendtrans-65.8130.6174.3-75.2-174.5176.5179.60109.2L301 L309L301-K307 VanDerWaalsContact CD1-NZ 3.35Å; K307-L309 PolarHBondContact O-N 3.39Å
308P58.7Low62.8Low128 Ų12897 Ų9783%0.83156%0.556SS**  trans-60.6103.5-179.623.6-33.3000109.4N310P308-N310 PolarHBondContact O-N 2.96Å
309L62.8Low63.8Low49 Ų4993.5 Ų93.526%0.25753%0.529SS..  trans-63.9128.2-171.1-131.673.5000109.1K307 Y311K307-L309 PolarHBondContact O-N 3.39Å; L309-Y311 HydrophobicContact CB-CD2 3.94Å; L309-Y311 HydrophobicContact CB-CE1 4.08Å; L309-Y311 HydrophobicContact CB-CE2 3.44Å; L309-Y311 VanDerWaalsContact CB-CE2 3.44Å; L309-Y311 HydrophobicContact CB-CG 4.45Å; L309-Y311 HydrophobicContact CD2-CD1 4.27Å; L309-Y311 HydrophobicContact CD2-CE1 3.61Å; L309-Y311 HydrophobicContact CG-CE1 4.46Å; L309-Y311 WeakPolarHBondContact O-CD2 3.4Å; L309-Y311 PolarHBondContact O-N 3.37Å
310N69.4Low64.8Low147 Ų14786.5 Ų86.579%0.78650%0.5SS*.  trans-78.278.8172.4-169-17.5000108.9P308 G312P308-N310 PolarHBondContact O-N 2.96Å; N310-G312 PolarHBondContact O-N 3.46Å; N310-G312 WeakPolarHBondContact OD1-CA 3.27Å; N310-G312 PolarHBondContact OD1-N 3.11Å; N310-G312 VanDerWaalsContact OD1-N 3.14Å
311Y71.6Confident66.3Low27 Ų2783.1 Ų83.111%0.10648%0.484CS..  trans-59.8-0.6174-63.9-78.4000113.2L309 G320 A321 A324 Q374 I375 A378L309-Y311 HydrophobicContact CB-CD2 3.94Å; L309-Y311 HydrophobicContact CB-CE1 4.08Å; L309-Y311 HydrophobicContact CB-CE2 3.44Å; L309-Y311 VanDerWaalsContact CB-CE2 3.44Å; L309-Y311 HydrophobicContact CB-CG 4.45Å; L309-Y311 HydrophobicContact CD2-CD1 4.27Å; L309-Y311 HydrophobicContact CD2-CE1 3.61Å; L309-Y311 HydrophobicContact CG-CE1 4.46Å; L309-Y311 WeakPolarHBondContact O-CD2 3.4Å; L309-Y311 PolarHBondContact O-N 3.37Å; Y311-G320 VanDerWaalsContact CD2-C 3.42Å; Y311-G320 VanDerWaalsContact CE2-C 3.44Å; Y311-A321 HydrophobicContact CE2-CB 4.18Å; Y311-A324 HydrophobicContact CE1-CB 3.8Å; Y311-A324 HydrophobicContact CE2-CB 4.44Å; Y311-A324 VanDerWaalsContact OH-CB 3.22Å; Y311-A324 WeakPolarHBondContact OH-CB 3.08Å; Y311-Q374 WeakPolarHBondContact O-CG 3.18Å; Y311-Q374 PolarHBondContact O-NE2 2.97Å; Y311-I375 HydrophobicContact CD1-CG1 4.45Å; Y311-I375 HydrophobicContact CE1-CG2 4.38Å; Y311-A378 HydrophobicContact CD1-CB 3.94Å; Y311-A378 HydrophobicContact CE1-CB 4.41Å
312G73.1Confident67.8Low27 Ų2780.5 Ų80.528%0.27848%0.478SS..  trans95.9157.3174.200000113.9N310 A314 L315 Q374N310-G312 PolarHBondContact O-N 3.46Å; N310-G312 WeakPolarHBondContact OD1-CA 3.27Å; N310-G312 PolarHBondContact OD1-N 3.11Å; N310-G312 VanDerWaalsContact OD1-N 3.14Å; G312-A314 PolarHBondContact O-N 2.91Å; G312-L315 PolarHBondContact O-N 3.46Å; G312-Q374 PolarHBondContact O-NE2 3.46Å; G312-Q374 VanDerWaalsContact O-NE2 3.09Å
313H74.1Confident69Low193 Ų19377 Ų7789%0.89445%0.454SS*.THydrogen-bonded Turntrans-70.31.4-163.9-152.6-35.2000115.9
314A74.3Confident70.4Confident60 Ų6074.3 Ų74.350%0.49644%0.437SS..THydrogen-bonded Turntrans-91.8-4.1177.900000114.2G312G312-A314 PolarHBondContact O-N 2.91Å
315L76.1Confident71.9Confident16 Ų1676.2 Ų76.28%0.08445%0.445CS..SBendtrans-107.8151.7169.7-59.6177.9000109.2G312 E319 G320 M323 K371 I375G312-L315 PolarHBondContact O-N 3.46Å; L315-E319 WeakPolarHBondContact CA-OE2 3.4Å; L315-E319 HydrophobicContact CB-CB 4.31Å; L315-E319 HydrophobicContact CD2-CG 4.41Å; L315-G320 VanDerWaalsContact CD1-CA 3.49Å; L315-M323 HydrophobicContact CD2-SD 4.42Å; L315-K371 HydrophobicContact CD2-CB 3.92Å; L315-K371 HydrophobicContact CD2-CD 3.45Å; L315-K371 VanDerWaalsContact CD2-CD 3.45Å; L315-K371 HydrophobicContact CD2-CG 3.57Å; L315-I375 HydrophobicContact CD1-CD1 4.3Å; L315-I375 HydrophobicContact CD1-CG1 4Å
316L75.6Confident73.1Confident123 Ų12376.5 Ų76.564%0.64444%0.441SS*.  trans-68.9156.4170.7-86.968.3000110.2G318 E319L316-G318 PolarHBondContact O-N 3.34Å; L316-E319 HydrophobicContact CB-CB 4.05Å; L316-E319 PolarHBondContact N-OE2 3.37Å; L316-E319 WeakPolarHBondContact O-CB 3.25Å; L316-E319 PolarHBondContact O-N 2.91Å
317P78.3Confident74.4Confident134 Ų13472 Ų7287%0.8742%0.417SS*.THydrogen-bonded Turntrans-51.6129.3168.9-24.834.9000110.6E319P317-E319 VanDerWaalsContact C-N 3.26Å; P317-E319 PolarHBondContact O-N 3.03Å
318G77.1Confident75.5Confident55 Ų5576.7 Ų76.757%0.56744%0.438SS*.THydrogen-bonded Turntrans82.2-27.7-175.200000115.9L316 G320 A321 A322L316-G318 PolarHBondContact O-N 3.34Å; G318-G320 PolarHBondContact O-N 3.3Å; G318-A321 PolarHBondContact O-N 3.29Å; G318-A322 PolarHBondContact O-N 2.92Å
319E79.6Confident76.4Confident47 Ų4773.5 Ų73.522%0.2242%0.422CS..Hα-helixtrans-60.2-44.5-176.6-176.4-175.3-166.800112L315 L316 P317 A321 M323 K371L315-E319 WeakPolarHBondContact CA-OE2 3.4Å; L315-E319 HydrophobicContact CB-CB 4.31Å; L315-E319 HydrophobicContact CD2-CG 4.41Å; L316-E319 HydrophobicContact CB-CB 4.05Å; L316-E319 PolarHBondContact N-OE2 3.37Å; L316-E319 WeakPolarHBondContact O-CB 3.25Å; L316-E319 PolarHBondContact O-N 2.91Å; P317-E319 VanDerWaalsContact C-N 3.26Å; P317-E319 PolarHBondContact O-N 3.03Å; E319-A321 PolarHBondContact O-N 3.44Å; E319-M323 HydrophobicContact CG-CE 3.75Å; E319-M323 HydrophobicContact CG-SD 4.18Å; E319-M323 WeakPolarHBondContact O-CG 2.7Å; E319-M323 PolarHBondContact O-N 2.97Å; E319-M323 VanDerWaalsContact OE1-CE 3.27Å; E319-M323 WeakPolarHBondContact OE1-CE 3.48Å; E319-K371 IonicContact OE1-NZ 2.85Å; E319-K371 PolarHBondContact OE1-NZ 3.47Å; E319-K371 IonicContact OE2-NZ 2.77Å; E319-K371 PolarHBondContact OE2-NZ 2.73Å
320G79.8Confident77.1Confident4 Ų474.6 Ų74.64%0.04145%0.446CS..Hα-helixtrans-67.8-32.6179.800000114.3Y311 L315 G318 A324Y311-G320 VanDerWaalsContact CD2-C 3.42Å; Y311-G320 VanDerWaalsContact CE2-C 3.44Å; L315-G320 VanDerWaalsContact CD1-CA 3.49Å; G318-G320 PolarHBondContact O-N 3.3Å; G320-A324 VanDerWaalsContact O-CB 3.28Å; G320-A324 WeakPolarHBondContact O-CB 3.43Å; G320-A324 PolarHBondContact O-N 2.86Å
321A80.4Confident77.6Confident51 Ų5172 Ų7242%0.42143%0.427SS..Hα-helixtrans-68.4-47.4177.300000110.9Y311 G318 E319 M323 A324 E325Y311-A321 HydrophobicContact CE2-CB 4.18Å; G318-A321 PolarHBondContact O-N 3.29Å; E319-A321 PolarHBondContact O-N 3.44Å; A321-M323 VanDerWaalsContact C-N 3.35Å; A321-M323 PolarHBondContact O-N 2.78Å; A321-A324 PolarHBondContact O-N 3.22Å; A321-E325 PolarHBondContact O-N 3.19Å; A321-E325 VanDerWaalsContact O-N 3.09Å
322A79.1Confident77.8Confident51 Ų5173.5 Ų73.542%0.42143%0.433SS..Hα-helixtrans-60.6-42.1175.600000112G318 E325 Y326G318-A322 PolarHBondContact O-N 2.92Å; A322-E325 PolarHBondContact O-N 3.26Å; A322-Y326 WeakPolarHBondContact O-CD2 3.38Å; A322-Y326 PolarHBondContact O-N 2.87Å
323M74.3Confident77.9Confident32 Ų3273.3 Ų73.316%0.15843%0.425CS..Hα-helixtrans-67-39177-69.3-176.3174.400113L315 E319 A321 E325 Y326 V327 I333 I375L315-M323 HydrophobicContact CD2-SD 4.42Å; E319-M323 HydrophobicContact CG-CE 3.75Å; E319-M323 HydrophobicContact CG-SD 4.18Å; E319-M323 WeakPolarHBondContact O-CG 2.7Å; E319-M323 PolarHBondContact O-N 2.97Å; E319-M323 VanDerWaalsContact OE1-CE 3.27Å; E319-M323 WeakPolarHBondContact OE1-CE 3.48Å; A321-M323 VanDerWaalsContact C-N 3.35Å; A321-M323 PolarHBondContact O-N 2.78Å; M323-E325 VanDerWaalsContact C-N 3.31Å; M323-E325 PolarHBondContact O-N 2.92Å; M323-Y326 PolarHBondContact O-N 3.41Å; M323-V327 WeakPolarHBondContact O-CG2 3.42Å; M323-V327 PolarHBondContact O-N 3.02Å; M323-V327 VanDerWaalsContact O-N 3.11Å; M323-I333 HydrophobicContact CB-CD1 4.02Å; M323-I333 HydrophobicContact CB-CG1 4.39Å; M323-I333 HydrophobicContact CB-CG2 4.48Å; M323-I333 HydrophobicContact CE-CG2 4.06Å; M323-I333 HydrophobicContact CG-CD1 4.27Å; M323-I333 HydrophobicContact CG-CG2 3.79Å; M323-I333 HydrophobicContact SD-CD1 4.4Å; M323-I333 HydrophobicContact SD-CG2 4.22Å; M323-I375 HydrophobicContact CB-CD1 3.43Å; M323-I375 VanDerWaalsContact CB-CD1 3.43Å; M323-I375 HydrophobicContact CG-CD1 4.23Å; M323-I375 HydrophobicContact SD-CD1 3.83Å
324A78.3Confident77.9Confident8 Ų866 Ų667%0.06640%0.395CS..Hα-helixtrans-65.3-33.2177.800000112.5Y311 G320 A321 V327 K328 I375Y311-A324 HydrophobicContact CE1-CB 3.8Å; Y311-A324 HydrophobicContact CE2-CB 4.44Å; Y311-A324 VanDerWaalsContact OH-CB 3.22Å; Y311-A324 WeakPolarHBondContact OH-CB 3.08Å; G320-A324 VanDerWaalsContact O-CB 3.28Å; G320-A324 WeakPolarHBondContact O-CB 3.43Å; G320-A324 PolarHBondContact O-N 2.86Å; A321-A324 PolarHBondContact O-N 3.22Å; A324-V327 PolarHBondContact O-N 3.46Å; A324-K328 VanDerWaalsContact O-CB 3.25Å; A324-K328 WeakPolarHBondContact O-CB 3.49Å; A324-K328 PolarHBondContact O-N 3.02Å; A324-I375 HydrophobicContact CB-CG2 3.96Å
325E83.4Confident77.7Confident139 Ų13966.9 Ų66.965%0.6539%0.385SS*.Hα-helixtrans-63-46.5174.7-171.5178.2-179.400112.2A321 A322 M323 V327 K328 A329A321-E325 PolarHBondContact O-N 3.19Å; A321-E325 VanDerWaalsContact O-N 3.09Å; A322-E325 PolarHBondContact O-N 3.26Å; M323-E325 VanDerWaalsContact C-N 3.31Å; M323-E325 PolarHBondContact O-N 2.92Å; E325-V327 PolarHBondContact O-N 3.18Å; E325-K328 PolarHBondContact O-N 2.91Å; E325-A329 WeakPolarHBondContact O-CB 3.3Å; E325-A329 PolarHBondContact O-N 3.18Å
326Y77.5Confident77.2Confident95 Ų9578.1 Ų78.137%0.37343%0.427SS..Hα-helixtrans-60.7-44174-84-101.3000111.6A322 M323 A329 G330 K331 P334A322-Y326 WeakPolarHBondContact O-CD2 3.38Å; A322-Y326 PolarHBondContact O-N 2.87Å; M323-Y326 PolarHBondContact O-N 3.41Å; Y326-A329 CarbonylContact O-C 3.5Å; Y326-A329 PolarHBondContact O-N 3.43Å; Y326-G330 PolarHBondContact O-N 2.82Å; Y326-K331 CarbonylContact C-O 3.56Å; Y326-K331 HydrophobicContact CD1-CB 3.96Å; Y326-K331 PolarHBondContact O-N 3.38Å; Y326-P334 HydrophobicContact CD1-CG 4.26Å; Y326-P334 HydrophobicContact CE1-CG 3.77Å
327V78.6Confident76.7Confident33 Ų3375.4 Ų75.420%0.243%0.428CS..Hα-helixtrans-64.3-41.9177.61710000111.8M323 A324 E325 A329 G330 I333 Y376M323-V327 WeakPolarHBondContact O-CG2 3.42Å; M323-V327 PolarHBondContact O-N 3.02Å; M323-V327 VanDerWaalsContact O-N 3.11Å; A324-V327 PolarHBondContact O-N 3.46Å; E325-V327 PolarHBondContact O-N 3.18Å; V327-A329 VanDerWaalsContact C-N 3.26Å; V327-A329 PolarHBondContact O-N 3.37Å; V327-G330 PolarHBondContact O-N 2.95Å; V327-I333 HydrophobicContact CG2-CD1 3.9Å; V327-I333 HydrophobicContact CG2-CG1 4.02Å; V327-Y376 HydrophobicContact CG1-CD1 4.14Å; V327-Y376 HydrophobicContact CG1-CE1 3.48Å; V327-Y376 VanDerWaalsContact CG1-CE1 3.48Å
328K82.4Confident76.4Confident191 Ų19169.4 Ų69.483%0.8339%0.388SS*.Hα-helixtrans-62.1-33.6174.6-176.6-178.1177.2-173.70111.9A324 E325 G330A324-K328 VanDerWaalsContact O-CB 3.25Å; A324-K328 WeakPolarHBondContact O-CB 3.49Å; A324-K328 PolarHBondContact O-N 3.02Å; E325-K328 PolarHBondContact O-N 2.91Å; K328-G330 PolarHBondContact O-N 3.21Å
329A78.7Confident75.7Confident61 Ų6174 Ų7450%0.50440%0.399SS..THydrogen-bonded Turntrans-79.52.6172.800000114E325 Y326 V327 K331E325-A329 WeakPolarHBondContact O-CB 3.3Å; E325-A329 PolarHBondContact O-N 3.18Å; Y326-A329 CarbonylContact O-C 3.5Å; Y326-A329 PolarHBondContact O-N 3.43Å; V327-A329 VanDerWaalsContact C-N 3.26Å; V327-A329 PolarHBondContact O-N 3.37Å; A329-K331 HydrophobicContact CB-CD 4.17Å; A329-K331 HydrophobicContact CB-CG 4.21Å; A329-K331 PolarHBondContact O-N 3.27Å
330G76.4Confident75.3Confident73 Ų7375.5 Ų75.575%0.75343%0.427SS*.THydrogen-bonded Turntrans719.2-17600000114.5Y326 V327 K328Y326-G330 PolarHBondContact O-N 2.82Å; V327-G330 PolarHBondContact O-N 2.95Å; K328-G330 PolarHBondContact O-N 3.21Å
331K80.6Confident75.2Confident91 Ų9178.4 Ų78.440%0.39644%0.441SS..PPolyproline II helixtrans-93.7142.5-172.4-67.7177.9175.9-161.30111.6Y326 A329 I333 E344Y326-K331 CarbonylContact C-O 3.56Å; Y326-K331 HydrophobicContact CD1-CB 3.96Å; Y326-K331 PolarHBondContact O-N 3.38Å; A329-K331 HydrophobicContact CB-CD 4.17Å; A329-K331 HydrophobicContact CB-CG 4.21Å; A329-K331 PolarHBondContact O-N 3.27Å; K331-I333 PolarHBondContact O-N 3.46Å; K331-E344 IonicContact NZ-OE1 2.93Å
332R76.6Confident75.3Confident59 Ų5979.2 Ų79.222%0.22344%0.44CS..PPolyproline II helixtrans-62.1129.8172.9-179.6-168168.5-78.224.7110.1P334 E338 E350R332-P334 WeakPolarHBondContact O-CD 3.48Å; R332-E338 IonicContact CZ-OE1 3.78Å; R332-E338 IonicContact CZ-OE2 2.97Å; R332-E338 IonicContact NH1-OE1 3.79Å; R332-E338 IonicContact NH1-OE2 3.65Å; R332-E338 PolarHBondContact NH1-OE2 2.96Å; R332-E338 IonicContact NH2-OE1 2.77Å; R332-E338 PolarHBondContact NH2-OE1 2.99Å; R332-E338 IonicContact NH2-OE2 2.74Å; R332-E338 PolarHBondContact NH2-OE2 3.22Å; R332-E350 WeakPolarHBondContact CD-OE2 3.43Å; R332-E350 IonicContact CZ-OE1 3.86Å; R332-E350 IonicContact CZ-OE2 2.82Å; R332-E350 IonicContact NE-OE1 3.75Å; R332-E350 IonicContact NE-OE2 3.62Å; R332-E350 PolarHBondContact NE-OE2 3.43Å; R332-E350 VanDerWaalsContact NH2-CD 3.28Å; R332-E350 IonicContact NH2-OE1 3.43Å; R332-E350 PolarHBondContact NH2-OE1 3.25Å; R332-E350 IonicContact NH2-OE2 3.54Å; R332-E350 PolarHBondContact NH2-OE2 3.1Å
333I75.1Confident75.1Confident24 Ų2477.6 Ų77.612%0.12343%0.426CS..PPolyproline II helixtrans-62.3126.1176.4-59.8167.1000110.2M323 V327 K331 E372 I375M323-I333 HydrophobicContact CB-CD1 4.02Å; M323-I333 HydrophobicContact CB-CG1 4.39Å; M323-I333 HydrophobicContact CB-CG2 4.48Å; M323-I333 HydrophobicContact CE-CG2 4.06Å; M323-I333 HydrophobicContact CG-CD1 4.27Å; M323-I333 HydrophobicContact CG-CG2 3.79Å; M323-I333 HydrophobicContact SD-CD1 4.4Å; M323-I333 HydrophobicContact SD-CG2 4.22Å; V327-I333 HydrophobicContact CG2-CD1 3.9Å; V327-I333 HydrophobicContact CG2-CG1 4.02Å; K331-I333 PolarHBondContact O-N 3.46Å; I333-E372 HydrophobicContact CD1-CG 3.92Å; I333-I375 HydrophobicContact CD1-CD1 4.36Å
334P72.7Confident75.3Confident39 Ų3982 Ų8225%0.25345%0.446SS..PPolyproline II helixtrans-63138.3174.7-23.434.3000112.9Y326 R332Y326-P334 HydrophobicContact CD1-CG 4.26Å; Y326-P334 HydrophobicContact CE1-CG 3.77Å; R332-P334 WeakPolarHBondContact O-CD 3.48Å
335R72.1Confident75.5Confident79 Ų7985 Ų8530%0.29846%0.459SS..PPolyproline II helixtrans-91.8166.4176.4-51.3-178.5-175.9136.38.3111.5G337 E338 E350R335-G337 PolarHBondContact O-N 3.29Å; R335-G337 VanDerWaalsContact O-N 3.14Å; R335-E338 VanDerWaalsContact CB-CD 3.45Å; R335-E338 HydrophobicContact CB-CG 3.99Å; R335-E338 WeakPolarHBondContact CB-OE1 3.45Å; R335-E338 WeakPolarHBondContact CD-OE1 3.27Å; R335-E338 WeakPolarHBondContact CG-OE1 3.47Å; R335-E338 PolarHBondContact N-OE2 3.1Å; R335-E338 IonicContact NH1-OE1 3.91Å; R335-E338 WeakPolarHBondContact O-CB 3.47Å; R335-E338 PolarHBondContact O-N 3.01Å; R335-E350 IonicContact CZ-OE1 3.48Å; R335-E350 IonicContact NH1-OE1 2.7Å; R335-E350 PolarHBondContact NH1-OE1 3Å; R335-E350 IonicContact NH2-OE1 2.73Å; R335-E350 PolarHBondContact NH2-OE1 3.31Å; R335-E350 IonicContact NH2-OE2 2.62Å
336R64Low75Confident252 Ų25278.5 Ų78.595%0.95143%0.428SS*.THydrogen-bonded Turntrans-62.4115.6175.7-178.5-179.2178.9-177-0110.5
337G64.9Low75.1Confident65 Ų6576 Ų7667%0.6743%0.427SS*.THydrogen-bonded Turntrans107.4-13.8-173.900000113.6R335 I339R335-G337 PolarHBondContact O-N 3.29Å; R335-G337 VanDerWaalsContact O-N 3.14Å; G337-I339 VanDerWaalsContact C-N 3.33Å
338E72.6Confident75.4Confident8 Ų877.9 Ų77.94%0.03744%0.442CS..  trans-94.67.9175.2-48.1178.3173.700111.6R332 R335 G340 L341 I346 M356R332-E338 IonicContact CZ-OE1 3.78Å; R332-E338 IonicContact CZ-OE2 2.97Å; R332-E338 IonicContact NH1-OE1 3.79Å; R332-E338 IonicContact NH1-OE2 3.65Å; R332-E338 PolarHBondContact NH1-OE2 2.96Å; R332-E338 IonicContact NH2-OE1 2.77Å; R332-E338 PolarHBondContact NH2-OE1 2.99Å; R332-E338 IonicContact NH2-OE2 2.74Å; R332-E338 PolarHBondContact NH2-OE2 3.22Å; R335-E338 VanDerWaalsContact CB-CD 3.45Å; R335-E338 HydrophobicContact CB-CG 3.99Å; R335-E338 WeakPolarHBondContact CB-OE1 3.45Å; R335-E338 WeakPolarHBondContact CD-OE1 3.27Å; R335-E338 WeakPolarHBondContact CG-OE1 3.47Å; R335-E338 PolarHBondContact N-OE2 3.1Å; R335-E338 IonicContact NH1-OE1 3.91Å; R335-E338 WeakPolarHBondContact O-CB 3.47Å; R335-E338 PolarHBondContact O-N 3.01Å; E338-G340 PolarHBondContact O-N 3.01Å; E338-L341 PolarHBondContact O-N 3.09Å; E338-I346 HydrophobicContact CB-CD1 3.79Å; E338-I346 HydrophobicContact CB-CG1 4.36Å; E338-M356 HydrophobicContact CG-CE 3.75Å
339I63.5Low75.2Confident153 Ų15372.8 Ų72.879%0.78542%0.42SS*.THydrogen-bonded Turntrans-7593.5-178.7-55.6168.7000108.1G337G337-I339 VanDerWaalsContact C-N 3.33Å
340G71.1Confident75.1Confident78 Ų7873.2 Ų73.280%0.80441%0.412SS*.THydrogen-bonded Turntrans136.1-9.2-176.100000114.5E338E338-G340 PolarHBondContact O-N 3.01Å
341L77Confident75.1Confident65 Ų6575.3 Ų75.334%0.3441%0.414SS..SBendtrans-102150170.1-64.3173.8000110.2E338 E345 I346 F349 M356E338-L341 PolarHBondContact O-N 3.09Å; L341-E345 WeakPolarHBondContact CA-OE2 3.47Å; L341-E345 WeakPolarHBondContact CD2-OE2 3.4Å; L341-I346 HydrophobicContact CB-CD1 4.09Å; L341-I346 HydrophobicContact CB-CG1 3.78Å; L341-I346 HydrophobicContact CD1-CG1 4.32Å; L341-F349 HydrophobicContact CD1-CD2 4.45Å; L341-F349 HydrophobicContact CD1-CE2 4.38Å; L341-M356 HydrophobicContact CD1-CE 3.96Å; L341-M356 HydrophobicContact CD1-SD 4.35Å
342T81.5Confident75.2Confident67 Ų6774.4 Ų74.441%0.41142%0.419SS..  trans-73.3156.817468.50000111.4E344 E345 I346T342-E344 PolarHBondContact O-N 3.35Å; T342-E345 WeakPolarHBondContact CB-OE1 3.39Å; T342-E345 WeakPolarHBondContact CG2-OE1 3.45Å; T342-E345 PolarHBondContact N-OE2 3.37Å; T342-E345 PolarHBondContact O-N 3.17Å; T342-E345 VanDerWaalsContact OG1-CG 3.27Å; T342-E345 WeakPolarHBondContact OG1-CG 3.42Å; T342-E345 PolarHBondContact OG1-N 3.1Å; T342-E345 PolarHBondContact OG1-OE1 3.18Å; T342-I346 WeakPolarHBondContact O-CD1 3.07Å; T342-I346 VanDerWaalsContact O-CG1 3.26Å; T342-I346 WeakPolarHBondContact O-CG1 3.37Å; T342-I346 PolarHBondContact O-N 3.31Å
343S74.8Confident75Confident17 Ų1774.2 Ų74.212%0.11944%0.435CS..Hα-helixtrans-59.5-28.8177.748.90000113.3A347S343-A347 PolarHBondContact O-N 3.44Å
344E80.1Confident74.9Confident124 Ų12481.2 Ų81.258%0.57946%0.461SS*.Hα-helixtrans-81.9-40.1-178.3-71.5151.4-136.200111.6K331 T342 I346 A347 S348K331-E344 IonicContact NZ-OE1 2.93Å; T342-E344 PolarHBondContact O-N 3.35Å; E344-I346 VanDerWaalsContact C-N 3.34Å; E344-I346 PolarHBondContact O-N 3.37Å; E344-A347 PolarHBondContact O-N 3.38Å; E344-S348 WeakPolarHBondContact O-CB 3.49Å; E344-S348 PolarHBondContact O-N 3.34Å; E344-S348 PolarHBondContact O-OG 3.4Å
345E82.8Confident74.3Confident73 Ų7383.1 Ų83.134%0.34147%0.472SS..Hα-helixtrans-56-47.8166.7-77149.2-135.300111.4L341 T342 A347 S348 F349L341-E345 WeakPolarHBondContact CA-OE2 3.47Å; L341-E345 WeakPolarHBondContact CD2-OE2 3.4Å; T342-E345 WeakPolarHBondContact CB-OE1 3.39Å; T342-E345 WeakPolarHBondContact CG2-OE1 3.45Å; T342-E345 PolarHBondContact N-OE2 3.37Å; T342-E345 PolarHBondContact O-N 3.17Å; T342-E345 VanDerWaalsContact OG1-CG 3.27Å; T342-E345 WeakPolarHBondContact OG1-CG 3.42Å; T342-E345 PolarHBondContact OG1-N 3.1Å; T342-E345 PolarHBondContact OG1-OE1 3.18Å; E345-A347 VanDerWaalsContact C-N 3.33Å; E345-A347 PolarHBondContact O-N 3.18Å; E345-S348 WeakPolarHBondContact O-CB 3.4Å; E345-S348 PolarHBondContact O-N 3.02Å; E345-S348 VanDerWaalsContact O-N 3.13Å; E345-F349 HydrophobicContact CB-CD2 4.34Å; E345-F349 HydrophobicContact CB-CE2 4.04Å; E345-F349 WeakPolarHBondContact O-CD2 3.03Å; E345-F349 WeakPolarHBondContact O-CG 3.3Å; E345-F349 PolarHBondContact O-N 2.89Å
346I72.9Confident73.5Confident1 Ų183.2 Ų83.21%0.00548%0.477CS..Hα-helixtrans-63.9-39.8-178.6-61.2157.9000111.2E338 L341 T342 E344 S348 F349 E350E338-I346 HydrophobicContact CB-CD1 3.79Å; E338-I346 HydrophobicContact CB-CG1 4.36Å; L341-I346 HydrophobicContact CB-CD1 4.09Å; L341-I346 HydrophobicContact CB-CG1 3.78Å; L341-I346 HydrophobicContact CD1-CG1 4.32Å; T342-I346 WeakPolarHBondContact O-CD1 3.07Å; T342-I346 VanDerWaalsContact O-CG1 3.26Å; T342-I346 WeakPolarHBondContact O-CG1 3.37Å; T342-I346 PolarHBondContact O-N 3.31Å; E344-I346 VanDerWaalsContact C-N 3.34Å; E344-I346 PolarHBondContact O-N 3.37Å; I346-S348 VanDerWaalsContact C-N 3.34Å; I346-F349 PolarHBondContact O-N 3.34Å; I346-E350 WeakPolarHBondContact O-CG 3.49Å; I346-E350 PolarHBondContact O-N 3.19Å
347A79.1Confident72.8Confident42 Ų4277.4 Ų77.435%0.34748%0.475SS..Hα-helixtrans-61.5-43.5173.400000111.4S343 E344 E345 F349 E350 C351S343-A347 PolarHBondContact O-N 3.44Å; E344-A347 PolarHBondContact O-N 3.38Å; E345-A347 VanDerWaalsContact C-N 3.33Å; E345-A347 PolarHBondContact O-N 3.18Å; A347-F349 PolarHBondContact O-N 3.5Å; A347-E350 PolarHBondContact O-N 2.87Å; A347-C351 WeakPolarHBondContact O-CB 3.45Å; A347-C351 PolarHBondContact O-N 2.86Å; A347-C351 PolarHBondContact O-SG 2.96Å
348S84.1Confident72.5Confident74 Ų7476.1 Ų76.152%0.51746%0.462SS..Hα-helixtrans-62.9-40.6177.8-54.30000112.5E344 E345 I346 S352E344-S348 WeakPolarHBondContact O-CB 3.49Å; E344-S348 PolarHBondContact O-N 3.34Å; E344-S348 PolarHBondContact O-OG 3.4Å; E345-S348 WeakPolarHBondContact O-CB 3.4Å; E345-S348 PolarHBondContact O-N 3.02Å; E345-S348 VanDerWaalsContact O-N 3.13Å; I346-S348 VanDerWaalsContact C-N 3.34Å; S348-S352 PolarHBondContact O-N 2.74Å; S348-S352 PolarHBondContact O-OG 2.95Å
349F78.7Confident71.7Confident84 Ų8479.1 Ų79.137%0.36848%0.484SS..Hα-helixtrans-67.8-38.4174-68.6-51.6000112.4L341 E345 I346 A347 S352 G353 Y354L341-F349 HydrophobicContact CD1-CD2 4.45Å; L341-F349 HydrophobicContact CD1-CE2 4.38Å; E345-F349 HydrophobicContact CB-CD2 4.34Å; E345-F349 HydrophobicContact CB-CE2 4.04Å; E345-F349 WeakPolarHBondContact O-CD2 3.03Å; E345-F349 WeakPolarHBondContact O-CG 3.3Å; E345-F349 PolarHBondContact O-N 2.89Å; I346-F349 PolarHBondContact O-N 3.34Å; A347-F349 PolarHBondContact O-N 3.5Å; F349-S352 WeakPolarHBondContact CA-OG 3.11Å; F349-S352 PolarHBondContact O-N 3.15Å; F349-S352 PolarHBondContact O-OG 3.07Å; F349-S352 VanDerWaalsContact O-OG 3.14Å; F349-G353 PolarHBondContact O-N 3.35Å; F349-Y354 WeakPolarHBondContact O-CA 3.37Å; F349-Y354 WeakPolarHBondContact O-CB 3.12Å; F349-Y354 PolarHBondContact O-N 2.83Å
350E76.6Confident71.4Confident69 Ų6983.7 Ų83.732%0.32249%0.491SS..Hα-helixtrans-68.3-39.5174.7-72.3-167.8146.300112.5R332 R335 I346 A347 G353R332-E350 WeakPolarHBondContact CD-OE2 3.43Å; R332-E350 IonicContact CZ-OE1 3.86Å; R332-E350 IonicContact CZ-OE2 2.82Å; R332-E350 IonicContact NE-OE1 3.75Å; R332-E350 IonicContact NE-OE2 3.62Å; R332-E350 PolarHBondContact NE-OE2 3.43Å; R332-E350 VanDerWaalsContact NH2-CD 3.28Å; R332-E350 IonicContact NH2-OE1 3.43Å; R332-E350 PolarHBondContact NH2-OE1 3.25Å; R332-E350 IonicContact NH2-OE2 3.54Å; R332-E350 PolarHBondContact NH2-OE2 3.1Å; R335-E350 IonicContact CZ-OE1 3.48Å; R335-E350 IonicContact NH1-OE1 2.7Å; R335-E350 PolarHBondContact NH1-OE1 3Å; R335-E350 IonicContact NH2-OE1 2.73Å; R335-E350 PolarHBondContact NH2-OE1 3.31Å; R335-E350 IonicContact NH2-OE2 2.62Å; I346-E350 WeakPolarHBondContact O-CG 3.49Å; I346-E350 PolarHBondContact O-N 3.19Å; A347-E350 PolarHBondContact O-N 2.87Å; E350-G353 PolarHBondContact O-N 2.9Å; E350-G353 VanDerWaalsContact O-N 3.1Å
351C77.1Confident71.3Confident118 Ų11885.8 Ų85.880%0.79748%0.48SS*.Hα-helixtrans-63.6-37.6174.4-71.30000112.8A347 G353A347-C351 WeakPolarHBondContact O-CB 3.45Å; A347-C351 PolarHBondContact O-N 2.86Å; A347-C351 PolarHBondContact O-SG 2.96Å; C351-G353 PolarHBondContact O-N 2.99Å
352S81.8Confident71.1Confident72 Ų7292.8 Ų92.850%0.50350%0.502SS..THydrogen-bonded Turntrans-795.8173.752.50000114S348 F349 Y354S348-S352 PolarHBondContact O-N 2.74Å; S348-S352 PolarHBondContact O-OG 2.95Å; F349-S352 WeakPolarHBondContact CA-OG 3.11Å; F349-S352 PolarHBondContact O-N 3.15Å; F349-S352 PolarHBondContact O-OG 3.07Å; F349-S352 VanDerWaalsContact O-OG 3.14Å; S352-Y354 VanDerWaalsContact C-N 3.33Å; S352-Y354 PolarHBondContact O-N 3.09Å
353G73.4Confident70.6Confident55 Ų5599.7 Ų99.757%0.56752%0.52SS*.THydrogen-bonded Turntrans81.54175.400000115.3F349 E350 C351 V355F349-G353 PolarHBondContact O-N 3.35Å; E350-G353 PolarHBondContact O-N 2.9Å; E350-G353 VanDerWaalsContact O-N 3.1Å; C351-G353 PolarHBondContact O-N 2.99Å; G353-V355 VanDerWaalsContact C-N 3.3Å; G353-V355 PolarHBondContact O-N 3.14Å
354Y71.3Confident70Confident170 Ų170104.9 Ų104.967%0.66754%0.544SS*.  trans-71.482.6174.9-84.7-86.1000111.6F349 S352 M356F349-Y354 WeakPolarHBondContact O-CA 3.37Å; F349-Y354 WeakPolarHBondContact O-CB 3.12Å; F349-Y354 PolarHBondContact O-N 2.83Å; S352-Y354 VanDerWaalsContact C-N 3.33Å; S352-Y354 PolarHBondContact O-N 3.09Å; Y354-M356 PolarHBondContact O-N 3.11Å; Y354-M356 VanDerWaalsContact O-N 3.08Å
355V60.9Low69.4Low80 Ų80103 Ų10349%0.48554%0.535SS..  trans-76.493.5168.9177.90000109.7G353 S357G353-V355 VanDerWaalsContact C-N 3.3Å; G353-V355 PolarHBondContact O-N 3.14Å; V355-S357 PolarHBondContact O-N 3.43Å
356M55.5Low68.9Low80 Ų80101.9 Ų101.939%0.39454%0.539SS..  trans-52.4135158-70.9-174.6-81.300109.1E338 L341 Y354 G358E338-M356 HydrophobicContact CG-CE 3.75Å; L341-M356 HydrophobicContact CD1-CE 3.96Å; L341-M356 HydrophobicContact CD1-SD 4.35Å; Y354-M356 PolarHBondContact O-N 3.11Å; Y354-M356 VanDerWaalsContact O-N 3.08Å; M356-G358 PolarHBondContact O-N 3Å
357S48.7Very low68.9Low130 Ų130105 Ų10591%0.90956%0.558SS**THydrogen-bonded Turntrans-52.690.1-154.952.70000116V355V355-S357 PolarHBondContact O-N 3.43Å
358G58.7Low68.8Low39 Ų39107.2 Ų107.240%0.40256%0.557SS.*THydrogen-bonded Turntrans-167-36.6179.200000118.1M356 R360 H361M356-G358 PolarHBondContact O-N 3Å; G358-R360 VanDerWaalsContact C-N 3.3Å; G358-R360 PolarHBondContact O-N 2.88Å; G358-R360 VanDerWaalsContact O-N 3.1Å; G358-H361 PolarHBondContact O-N 2.87Å
359S56.7Low68.4Low71 Ų71107 Ų10750%0.49755%0.55SS..THydrogen-bonded Turntrans-62.6-26.5-163.8-165.10000115.5H361S359-H361 PolarHBondContact O-N 3.29Å; S359-H361 VanDerWaalsContact O-N 3.12Å
360R56.2Low68.5Low248 Ų248110.9 Ų110.994%0.93656%0.562SS**THydrogen-bonded Turntrans-68.6-10.7179.5-63.8-174.7-178.4179.11.3114.5G358 R362G358-R360 VanDerWaalsContact C-N 3.3Å; G358-R360 PolarHBondContact O-N 2.88Å; G358-R360 VanDerWaalsContact O-N 3.1Å; R360-R362 PolarHBondContact O-N 2.85Å
361H69.4Low68.8Low123 Ų123110 Ų11057%0.56956%0.557SS**  trans-97.189.8-177.3-87.488.5000113.4G358 S359 R363 M364 E365G358-H361 PolarHBondContact O-N 2.87Å; S359-H361 PolarHBondContact O-N 3.29Å; S359-H361 VanDerWaalsContact O-N 3.12Å; H361-R363 PolarHBondContact O-N 2.84Å; H361-M364 HydrophobicContact CB-CB 4.2Å; H361-M364 HydrophobicContact CB-CG 4.06Å; H361-M364 PolarHBondContact O-N 2.77Å; H361-E365 PolarHBondContact O-N 3.42Å; H361-E365 VanDerWaalsContact O-N 3.15Å
362R72.7Confident68.8Low211 Ų211105.5 Ų105.580%0.79652%0.524SS*.Hα-helixtrans-46-27.6171.9-79.2-172.3169.4-165-3.5115.4R360 A366R360-R362 PolarHBondContact O-N 2.85Å; R362-A366 VanDerWaalsContact O-CB 3.27Å; R362-A366 WeakPolarHBondContact O-CB 3.32Å; R362-A366 PolarHBondContact O-N 2.66Å
363R70.4Confident68.8Low213 Ų213106.5 Ų106.580%0.80452%0.524SS*.Hα-helixtrans-72.3-36.2176.3-61.8-174.2-165.8165.77.3112.8H361 V367H361-R363 PolarHBondContact O-N 2.84Å; R363-V367 WeakPolarHBondContact O-CG2 3.28Å; R363-V367 PolarHBondContact O-N 2.96Å
364M62Low69.2Low125 Ų125105.9 Ų105.962%0.61651%0.506SS*.Hα-helixtrans-76.2-42.1177.3-69.2-58.3-65.100110.6H361 A366 V367 R368H361-M364 HydrophobicContact CB-CB 4.2Å; H361-M364 HydrophobicContact CB-CG 4.06Å; H361-M364 PolarHBondContact O-N 2.77Å; M364-A366 VanDerWaalsContact C-N 3.34Å; M364-A366 PolarHBondContact O-N 3.28Å; M364-V367 WeakPolarHBondContact O-CA 3.48Å; M364-V367 WeakPolarHBondContact O-CB 3.22Å; M364-V367 PolarHBondContact O-N 3.05Å; M364-R368 PolarHBondContact O-N 3.24Å
365E68Low69.5Low85 Ų8597.8 Ų97.840%0.39747%0.474SS..Hα-helixtrans-56.3-46.2171.8-174-174-162.700111.8H361 V367 R368 L369H361-E365 PolarHBondContact O-N 3.42Å; H361-E365 VanDerWaalsContact O-N 3.15Å; E365-V367 PolarHBondContact O-N 3.44Å; E365-R368 WeakPolarHBondContact O-CB 3.36Å; E365-R368 PolarHBondContact O-N 3.48Å; E365-L369 HydrophobicContact CG-CD1 4.13Å; E365-L369 WeakPolarHBondContact O-CB 3.45Å; E365-L369 WeakPolarHBondContact O-CG 3.42Å; E365-L369 PolarHBondContact O-N 3.24Å
366A72.4Confident70.2Confident50 Ų5098.7 Ų98.741%0.41347%0.47SS..Hα-helixtrans-67.2-17.6175.200000114.5R362 M364 R370R362-A366 VanDerWaalsContact O-CB 3.27Å; R362-A366 WeakPolarHBondContact O-CB 3.32Å; R362-A366 PolarHBondContact O-N 2.66Å; M364-A366 VanDerWaalsContact C-N 3.34Å; M364-A366 PolarHBondContact O-N 3.28Å; A366-R370 WeakPolarHBondContact O-CB 3.49Å; A366-R370 PolarHBondContact O-N 3.46Å
367V72.5Confident71.5Confident66 Ų6697.2 Ų97.240%0.447%0.467SS..Hα-helixtrans-83-42.4170.5168.20000110.4R363 M364 E365 R370 K371R363-V367 WeakPolarHBondContact O-CG2 3.28Å; R363-V367 PolarHBondContact O-N 2.96Å; M364-V367 WeakPolarHBondContact O-CA 3.48Å; M364-V367 WeakPolarHBondContact O-CB 3.22Å; M364-V367 PolarHBondContact O-N 3.05Å; E365-V367 PolarHBondContact O-N 3.44Å; V367-R370 PolarHBondContact O-N 2.9Å; V367-K371 PolarHBondContact O-N 2.84Å
368R78.1Confident72.9Confident89 Ų8992 Ų9234%0.33643%0.432SS..Hα-helixtrans-54.8-58.2171.5177.5-173.572.187.8-0.7110.6M364 E365 R370 K371 E372M364-R368 PolarHBondContact O-N 3.24Å; E365-R368 WeakPolarHBondContact O-CB 3.36Å; E365-R368 PolarHBondContact O-N 3.48Å; R368-R370 PolarHBondContact O-N 3.25Å; R368-R370 VanDerWaalsContact O-N 3.13Å; R368-K371 WeakPolarHBondContact O-CB 3.39Å; R368-K371 PolarHBondContact O-N 3.14Å; R368-E372 VanDerWaalsContact CD-OE1 3.3Å; R368-E372 WeakPolarHBondContact CD-OE1 3.38Å; R368-E372 HydrophobicContact CG-CG 4.4Å; R368-E372 WeakPolarHBondContact CG-OE1 3.46Å; R368-E372 IonicContact CZ-OE1 3.45Å; R368-E372 IonicContact CZ-OE2 3.42Å; R368-E372 IonicContact NE-OE1 2.7Å; R368-E372 IonicContact NH1-OE1 3.39Å; R368-E372 PolarHBondContact NH1-OE1 2.82Å; R368-E372 IonicContact NH1-OE2 2.84Å; R368-E372 PolarHBondContact NH1-OE2 2.7Å; R368-E372 PolarHBondContact O-N 3.43Å
369L76.1Confident73.8Confident69 Ų6992.1 Ų92.136%0.36142%0.424SS..Hα-helixtrans-57-30.9177.5-69.2170.8000112.6E365 N373E365-L369 HydrophobicContact CG-CD1 4.13Å; E365-L369 WeakPolarHBondContact O-CB 3.45Å; E365-L369 WeakPolarHBondContact O-CG 3.42Å; E365-L369 PolarHBondContact O-N 3.24Å; L369-N373 WeakPolarHBondContact O-CB 3.08Å; L369-N373 PolarHBondContact O-N 3.1Å; L369-N373 PolarHBondContact O-OD1 3.28Å; L369-N373 VanDerWaalsContact O-OD1 3.09Å
370R79.7Confident74.9Confident166 Ų16694 Ų9463%0.62642%0.424SS*.Hα-helixtrans-71.8-41.4174.4-172.7-175.2-57.4169.16112.4A366 V367 R368 Q374A366-R370 WeakPolarHBondContact O-CB 3.49Å; A366-R370 PolarHBondContact O-N 3.46Å; V367-R370 PolarHBondContact O-N 2.9Å; R368-R370 PolarHBondContact O-N 3.25Å; R368-R370 VanDerWaalsContact O-N 3.13Å; R370-Q374 WeakPolarHBondContact O-CB 3.36Å; R370-Q374 PolarHBondContact O-N 2.96Å
371K83Confident76.2Confident49 Ų4988.8 Ų88.821%0.21341%0.409CS..Hα-helixtrans-65.9-46.3176.7-74.4-166.1169.4-150.10110.8L315 E319 V367 R368 Q374 I375L315-K371 HydrophobicContact CD2-CB 3.92Å; L315-K371 HydrophobicContact CD2-CD 3.45Å; L315-K371 VanDerWaalsContact CD2-CD 3.45Å; L315-K371 HydrophobicContact CD2-CG 3.57Å; E319-K371 IonicContact OE1-NZ 2.85Å; E319-K371 PolarHBondContact OE1-NZ 3.47Å; E319-K371 IonicContact OE2-NZ 2.77Å; E319-K371 PolarHBondContact OE2-NZ 2.73Å; V367-K371 PolarHBondContact O-N 2.84Å; R368-K371 WeakPolarHBondContact O-CB 3.39Å; R368-K371 PolarHBondContact O-N 3.14Å; K371-Q374 WeakPolarHBondContact O-CB 3.46Å; K371-Q374 PolarHBondContact O-N 3.39Å; K371-I375 WeakPolarHBondContact O-CD1 3.46Å; K371-I375 WeakPolarHBondContact O-CG1 3.15Å; K371-I375 PolarHBondContact O-N 3.45Å; K371-I375 VanDerWaalsContact O-N 3.16Å
372E76.4Confident76.8Confident25 Ų2586.3 Ų86.312%0.11739%0.394CS..Hα-helixtrans-58.6-54.2174.5-74.3165.3-177.900111.5I333 R368 Q374 I375 Y376I333-E372 HydrophobicContact CD1-CG 3.92Å; R368-E372 VanDerWaalsContact CD-OE1 3.3Å; R368-E372 WeakPolarHBondContact CD-OE1 3.38Å; R368-E372 HydrophobicContact CG-CG 4.4Å; R368-E372 WeakPolarHBondContact CG-OE1 3.46Å; R368-E372 IonicContact CZ-OE1 3.45Å; R368-E372 IonicContact CZ-OE2 3.42Å; R368-E372 IonicContact NE-OE1 2.7Å; R368-E372 IonicContact NH1-OE1 3.39Å; R368-E372 PolarHBondContact NH1-OE1 2.82Å; R368-E372 IonicContact NH1-OE2 2.84Å; R368-E372 PolarHBondContact NH1-OE2 2.7Å; R368-E372 PolarHBondContact O-N 3.43Å; E372-Q374 PolarHBondContact O-N 3.44Å; E372-Q374 VanDerWaalsContact O-N 3.12Å; E372-I375 WeakPolarHBondContact O-CA 3.45Å; E372-I375 WeakPolarHBondContact O-CB 3.48Å; E372-I375 PolarHBondContact O-N 3.09Å; E372-Y376 HydrophobicContact CB-CD2 4.24Å; E372-Y376 HydrophobicContact CB-CE2 3.91Å; E372-Y376 WeakPolarHBondContact O-CD2 3.5Å; E372-Y376 PolarHBondContact O-N 3.02Å
373N83.4Confident77.3Confident93 Ų9378.9 Ų78.950%0.49738%0.378SS..Hα-helixtrans-62.1-24.7178.2-68.211.6000113.1L369 S377L369-N373 WeakPolarHBondContact O-CB 3.08Å; L369-N373 PolarHBondContact O-N 3.1Å; L369-N373 PolarHBondContact O-OD1 3.28Å; L369-N373 VanDerWaalsContact O-OD1 3.09Å; N373-S377 WeakPolarHBondContact O-CB 3.3Å; N373-S377 PolarHBondContact O-N 3.13Å; N373-S377 PolarHBondContact O-OG 3.41Å; N373-S377 VanDerWaalsContact O-OG 3.07Å
374Q80.3Confident78Confident41 Ų4174 Ų7419%0.19237%0.367CS..Hα-helixtrans-74.2-28.8174.6171.9-179.5-17.700112.3Y311 G312 R370 K371 E372 A378Y311-Q374 WeakPolarHBondContact O-CG 3.18Å; Y311-Q374 PolarHBondContact O-NE2 2.97Å; G312-Q374 PolarHBondContact O-NE2 3.46Å; G312-Q374 VanDerWaalsContact O-NE2 3.09Å; R370-Q374 WeakPolarHBondContact O-CB 3.36Å; R370-Q374 PolarHBondContact O-N 2.96Å; K371-Q374 WeakPolarHBondContact O-CB 3.46Å; K371-Q374 PolarHBondContact O-N 3.39Å; E372-Q374 PolarHBondContact O-N 3.44Å; E372-Q374 VanDerWaalsContact O-N 3.12Å; Q374-A378 WeakPolarHBondContact O-CB 3.44Å; Q374-A378 PolarHBondContact O-N 3.17Å
375I78.9Confident79.1Confident0 Ų070.7 Ų70.70%036%0.36CS..Hα-helixtrans-76.6-54.8171.1-62.7153.6000109.3Y311 L315 M323 A324 I333 K371 E372 S377 A378 D379Y311-I375 HydrophobicContact CD1-CG1 4.45Å; Y311-I375 HydrophobicContact CE1-CG2 4.38Å; L315-I375 HydrophobicContact CD1-CD1 4.3Å; L315-I375 HydrophobicContact CD1-CG1 4Å; M323-I375 HydrophobicContact CB-CD1 3.43Å; M323-I375 VanDerWaalsContact CB-CD1 3.43Å; M323-I375 HydrophobicContact CG-CD1 4.23Å; M323-I375 HydrophobicContact SD-CD1 3.83Å; A324-I375 HydrophobicContact CB-CG2 3.96Å; I333-I375 HydrophobicContact CD1-CD1 4.36Å; K371-I375 WeakPolarHBondContact O-CD1 3.46Å; K371-I375 WeakPolarHBondContact O-CG1 3.15Å; K371-I375 PolarHBondContact O-N 3.45Å; K371-I375 VanDerWaalsContact O-N 3.16Å; E372-I375 WeakPolarHBondContact O-CA 3.45Å; E372-I375 WeakPolarHBondContact O-CB 3.48Å; E372-I375 PolarHBondContact O-N 3.09Å; I375-S377 PolarHBondContact O-N 3.36Å; I375-A378 WeakPolarHBondContact O-CA 3.3Å; I375-A378 WeakPolarHBondContact O-CB 3.48Å; I375-A378 PolarHBondContact O-N 3.35Å; I375-D379 VanDerWaalsContact CG2-OD2 3.27Å; I375-D379 WeakPolarHBondContact CG2-OD2 3.4Å; I375-D379 PolarHBondContact O-N 2.8Å
376Y75.7Confident79.8Confident100 Ų10068.7 Ų68.739%0.39236%0.355SS..Hα-helixtrans-52.5-50.9176.4-65-55.9000111.9V327 E372 A378 D379 E380V327-Y376 HydrophobicContact CG1-CD1 4.14Å; V327-Y376 HydrophobicContact CG1-CE1 3.48Å; V327-Y376 VanDerWaalsContact CG1-CE1 3.48Å; E372-Y376 HydrophobicContact CB-CD2 4.24Å; E372-Y376 HydrophobicContact CB-CE2 3.91Å; E372-Y376 WeakPolarHBondContact O-CD2 3.5Å; E372-Y376 PolarHBondContact O-N 3.02Å; Y376-A378 PolarHBondContact O-N 3.48Å; Y376-A378 VanDerWaalsContact O-N 3.1Å; Y376-D379 PolarHBondContact O-N 2.86Å; Y376-E380 VanDerWaalsContact O-CB 3.23Å; Y376-E380 WeakPolarHBondContact O-CB 3.31Å; Y376-E380 VanDerWaalsContact O-CD 3.31Å; Y376-E380 WeakPolarHBondContact O-CG 3.34Å; Y376-E380 PolarHBondContact O-N 2.96Å
377S82.4Confident80.6Confident48 Ų4872.3 Ų72.334%0.33636%0.362SS..Hα-helixtrans-68.3-6.9176.7-700000115.3N373 I375 K381N373-S377 WeakPolarHBondContact O-CB 3.3Å; N373-S377 PolarHBondContact O-N 3.13Å; N373-S377 PolarHBondContact O-OG 3.41Å; N373-S377 VanDerWaalsContact O-OG 3.07Å; I375-S377 PolarHBondContact O-N 3.36Å; S377-K381 VanDerWaalsContact O-CD 3.27Å; S377-K381 WeakPolarHBondContact O-CD 3.46Å; S377-K381 VanDerWaalsContact O-CE 3.31Å; S377-K381 WeakPolarHBondContact O-CE 3.47Å; S377-K381 VanDerWaalsContact O-CG 3.29Å; S377-K381 WeakPolarHBondContact O-CG 3.42Å; S377-K381 PolarHBondContact O-NZ 3.17Å
378A78.5Confident81.5Confident22 Ų2273.5 Ų73.518%0.18237%0.366CS..Hα-helixtrans-93.2-46.6169.900000110.3Y311 Q374 I375 Y376 K381 R382Y311-A378 HydrophobicContact CD1-CB 3.94Å; Y311-A378 HydrophobicContact CE1-CB 4.41Å; Q374-A378 WeakPolarHBondContact O-CB 3.44Å; Q374-A378 PolarHBondContact O-N 3.17Å; I375-A378 WeakPolarHBondContact O-CA 3.3Å; I375-A378 WeakPolarHBondContact O-CB 3.48Å; I375-A378 PolarHBondContact O-N 3.35Å; Y376-A378 PolarHBondContact O-N 3.48Å; Y376-A378 VanDerWaalsContact O-N 3.1Å; A378-K381 PolarHBondContact O-N 3.21Å; A378-R382 PolarHBondContact O-N 3.24Å
379D76.1Confident82Confident41 Ų4174 Ų7422%0.21937%0.372CS..Hα-helixtrans-69.2-39.9-179.6-64.9-31.3000112.2I375 Y376 K381 R382 A383I375-D379 VanDerWaalsContact CG2-OD2 3.27Å; I375-D379 WeakPolarHBondContact CG2-OD2 3.4Å; I375-D379 PolarHBondContact O-N 2.8Å; Y376-D379 PolarHBondContact O-N 2.86Å; D379-K381 VanDerWaalsContact C-N 3.28Å; D379-K381 PolarHBondContact O-N 2.82Å; D379-R382 WeakPolarHBondContact O-CB 3.38Å; D379-R382 PolarHBondContact O-N 3.12Å; D379-A383 WeakPolarHBondContact O-CB 3.26Å; D379-A383 PolarHBondContact O-N 3.48Å
380E80.2Confident82.6Confident109 Ų10974.7 Ų74.751%0.50937%0.374SS..Hα-helixtrans-55-43.5169.6-73.3161.5-166.900111.6Y376 A383 L384Y376-E380 VanDerWaalsContact O-CB 3.23Å; Y376-E380 WeakPolarHBondContact O-CB 3.31Å; Y376-E380 VanDerWaalsContact O-CD 3.31Å; Y376-E380 WeakPolarHBondContact O-CG 3.34Å; Y376-E380 PolarHBondContact O-N 2.96Å; E380-A383 PolarHBondContact O-N 2.77Å; E380-L384 WeakPolarHBondContact O-CB 3.27Å; E380-L384 VanDerWaalsContact O-CG 3.29Å; E380-L384 WeakPolarHBondContact O-CG 3.39Å; E380-L384 PolarHBondContact O-N 3.19Å
381K84.3Confident83.1Confident140 Ų14070.3 Ų70.361%0.60936%0.36SS*.Hα-helixtrans-71.8-34.1179.4-70.7-178.1-166.9116.80112.2S377 A378 D379 A385S377-K381 VanDerWaalsContact O-CD 3.27Å; S377-K381 WeakPolarHBondContact O-CD 3.46Å; S377-K381 VanDerWaalsContact O-CE 3.31Å; S377-K381 WeakPolarHBondContact O-CE 3.47Å; S377-K381 VanDerWaalsContact O-CG 3.29Å; S377-K381 WeakPolarHBondContact O-CG 3.42Å; S377-K381 PolarHBondContact O-NZ 3.17Å; A378-K381 PolarHBondContact O-N 3.21Å; D379-K381 VanDerWaalsContact C-N 3.28Å; D379-K381 PolarHBondContact O-N 2.82Å; K381-A385 WeakPolarHBondContact O-CB 3.06Å; K381-A385 PolarHBondContact O-N 2.91Å
382R82Confident83.5Confident70 Ų7075.3 Ų75.326%0.26438%0.378SS..Hα-helixtrans-64.1-49.8172.7175.2-179.8170.1175.1-2.8110.3D305 A378 D379 L384 A385 S386D305-R382 PolarHBondContact O-NH2 2.88Å; D305-R382 IonicContact OD1-CZ 3.65Å; D305-R382 IonicContact OD1-NE 3.89Å; D305-R382 PolarHBondContact OD1-NE 2.86Å; D305-R382 IonicContact OD1-NH2 3.61Å; D305-R382 PolarHBondContact OD1-NH2 2.81Å; A378-R382 PolarHBondContact O-N 3.24Å; D379-R382 WeakPolarHBondContact O-CB 3.38Å; D379-R382 PolarHBondContact O-N 3.12Å; R382-L384 PolarHBondContact O-N 3.39Å; R382-A385 PolarHBondContact O-N 3.04Å; R382-A385 VanDerWaalsContact O-N 3.12Å; R382-S386 PolarHBondContact O-N 3.1Å; R382-S386 PolarHBondContact O-OG 2.86Å
383A83.4Confident84.1Confident55 Ų5579.2 Ų79.246%0.45539%0.391SS..Hα-helixtrans-60.4-42.2178.500000112.6D379 E380 S386 F387D379-A383 WeakPolarHBondContact O-CB 3.26Å; D379-A383 PolarHBondContact O-N 3.48Å; E380-A383 PolarHBondContact O-N 2.77Å; A383-S386 PolarHBondContact O-OG 3.25Å; A383-F387 VanDerWaalsContact O-CB 3.3Å; A383-F387 WeakPolarHBondContact O-CB 3.41Å; A383-F387 PolarHBondContact O-N 2.93Å
384L83.7Confident84.7Confident111 Ų11180.9 Ų80.958%0.58139%0.394SS*.Hα-helixtrans-67.6-36174.1-70.4171.2000112.5E380 R382 N388E380-L384 WeakPolarHBondContact O-CB 3.27Å; E380-L384 VanDerWaalsContact O-CG 3.29Å; E380-L384 WeakPolarHBondContact O-CG 3.39Å; E380-L384 PolarHBondContact O-N 3.19Å; R382-L384 PolarHBondContact O-N 3.39Å; L384-N388 WeakPolarHBondContact O-CB 3.27Å; L384-N388 PolarHBondContact O-N 3.01Å; L384-N388 VanDerWaalsContact O-N 3.07Å; L384-N388 PolarHBondContact O-ND2 2.86Å; L384-N388 VanDerWaalsContact O-ND2 3.15Å
385A85.9Confident85.3Confident55 Ų5585.2 Ų85.246%0.45541%0.409SS..Hα-helixtrans-71.4-41.9177.800000112.5K381 R382 N388 Q389K381-A385 WeakPolarHBondContact O-CB 3.06Å; K381-A385 PolarHBondContact O-N 2.91Å; R382-A385 PolarHBondContact O-N 3.04Å; R382-A385 VanDerWaalsContact O-N 3.12Å; A385-N388 PolarHBondContact O-N 3.28Å; A385-Q389 WeakPolarHBondContact O-CB 3.45Å; A385-Q389 PolarHBondContact O-N 2.76Å
386S83.3Confident86.1Confident43 Ų4389 Ų8930%0.30143%0.426SS..Hα-helixtrans-64.7-43.9175.1590000110.9R382 A383 N388 Q389 E390R382-S386 PolarHBondContact O-N 3.1Å; R382-S386 PolarHBondContact O-OG 2.86Å; A383-S386 PolarHBondContact O-OG 3.25Å; S386-N388 PolarHBondContact O-N 3.08Å; S386-Q389 PolarHBondContact O-N 3.37Å; S386-Q389 VanDerWaalsContact O-N 3.14Å; S386-E390 WeakPolarHBondContact O-CB 3.45Å; S386-E390 WeakPolarHBondContact O-CG 3.17Å; S386-E390 PolarHBondContact O-N 2.82Å
387F88.2Confident87Confident126 Ų12688.6 Ų88.655%0.55343%0.431SS*.Hα-helixtrans-56.7-49174.1-177.2-96.3000112.3A383 Q389 E390 E391A383-F387 VanDerWaalsContact O-CB 3.3Å; A383-F387 WeakPolarHBondContact O-CB 3.41Å; A383-F387 PolarHBondContact O-N 2.93Å; F387-Q389 VanDerWaalsContact C-N 3.31Å; F387-Q389 PolarHBondContact O-N 3.26Å; F387-E390 PolarHBondContact O-N 2.58Å; F387-E391 WeakPolarHBondContact O-CB 3.4Å; F387-E391 PolarHBondContact O-N 2.91Å
388N91.3Very high87.6Confident92 Ų9294 Ų9449%0.49245%0.448SS..Hα-helixtrans-63.3-35.5176.8-71.4-22.9000112.6L384 A385 S386 R392L384-N388 WeakPolarHBondContact O-CB 3.27Å; L384-N388 PolarHBondContact O-N 3.01Å; L384-N388 VanDerWaalsContact O-N 3.07Å; L384-N388 PolarHBondContact O-ND2 2.86Å; L384-N388 VanDerWaalsContact O-ND2 3.15Å; A385-N388 PolarHBondContact O-N 3.28Å; S386-N388 PolarHBondContact O-N 3.08Å; N388-R392 VanDerWaalsContact O-CB 3.29Å; N388-R392 WeakPolarHBondContact O-CB 3.31Å; N388-R392 PolarHBondContact O-N 3.4Å
389Q88.3Confident88.4Confident98 Ų9898.2 Ų98.246%0.45847%0.467SS..Hα-helixtrans-70.9-40.4176.7-172.7179.17.100111.8A385 S386 F387 R392 R393A385-Q389 WeakPolarHBondContact O-CB 3.45Å; A385-Q389 PolarHBondContact O-N 2.76Å; S386-Q389 PolarHBondContact O-N 3.37Å; S386-Q389 VanDerWaalsContact O-N 3.14Å; F387-Q389 VanDerWaalsContact C-N 3.31Å; F387-Q389 PolarHBondContact O-N 3.26Å; Q389-R392 PolarHBondContact O-N 2.9Å; Q389-R393 WeakPolarHBondContact O-CB 3.22Å; Q389-R393 PolarHBondContact O-N 3.19Å
390E89.1Confident89.4Confident85 Ų85100.5 Ų100.540%0.39748%0.479SS..Hα-helixtrans-65.5-42.6174-77.4178.5-145.800112.1S386 F387 R392 R393 K394S386-E390 WeakPolarHBondContact O-CB 3.45Å; S386-E390 WeakPolarHBondContact O-CG 3.17Å; S386-E390 PolarHBondContact O-N 2.82Å; F387-E390 PolarHBondContact O-N 2.58Å; E390-R392 VanDerWaalsContact C-N 3.33Å; E390-R392 PolarHBondContact O-N 3.43Å; E390-R393 PolarHBondContact O-N 3.06Å; E390-K394 WeakPolarHBondContact O-CB 3.41Å; E390-K394 VanDerWaalsContact O-CG 3.28Å; E390-K394 WeakPolarHBondContact O-CG 3.37Å; E390-K394 PolarHBondContact O-N 2.9Å
391E90.1Very high90.1Very high74 Ų7497.9 Ų97.935%0.34648%0.476SS..Hα-helixtrans-62.3-43.9176.1-160.1-154.2-175.500110.5F387 K394 R395F387-E391 WeakPolarHBondContact O-CB 3.4Å; F387-E391 PolarHBondContact O-N 2.91Å; E391-K394 PolarHBondContact O-N 2.7Å; E391-R395 VanDerWaalsContact CD-CZ 3.44Å; E391-R395 WeakPolarHBondContact O-CG 3.4Å; E391-R395 PolarHBondContact O-N 3.43Å; E391-R395 IonicContact OE1-CZ 3.47Å; E391-R395 IonicContact OE1-NE 2.66Å; E391-R395 IonicContact OE1-NH2 2.7Å; E391-R395 PolarHBondContact OE1-NH2 2.91Å; E391-R395 IonicContact OE2-CZ 3.27Å; E391-R395 VanDerWaalsContact OE2-CZ 3.27Å; E391-R395 IonicContact OE2-NH1 3.29Å; E391-R395 PolarHBondContact OE2-NH1 3.02Å; E391-R395 IonicContact OE2-NH2 2.7Å; E391-R395 PolarHBondContact OE2-NH2 3.44Å
392R91Very high90.6Very high153 Ų15394.2 Ų94.258%0.57747%0.468SS*.Hα-helixtrans-59.8-47.7172.6-179.9173.3173.9152.87.4111.9N388 Q389 E390 K394 R395 E396N388-R392 VanDerWaalsContact O-CB 3.29Å; N388-R392 WeakPolarHBondContact O-CB 3.31Å; N388-R392 PolarHBondContact O-N 3.4Å; Q389-R392 PolarHBondContact O-N 2.9Å; E390-R392 VanDerWaalsContact C-N 3.33Å; E390-R392 PolarHBondContact O-N 3.43Å; R392-K394 VanDerWaalsContact C-N 3.29Å; R392-K394 PolarHBondContact O-N 2.9Å; R392-R395 WeakPolarHBondContact O-CB 3.28Å; R392-R395 PolarHBondContact O-N 2.95Å; R392-R395 VanDerWaalsContact O-N 3.08Å; R392-E396 HydrophobicContact CG-CG 4.38Å; R392-E396 WeakPolarHBondContact CG-OE1 3.24Å; R392-E396 IonicContact CZ-OE1 2.72Å; R392-E396 IonicContact NE-OE1 3.99Å; R392-E396 PolarHBondContact NE-OE1 2.94Å; R392-E396 IonicContact NH2-OE1 3.35Å; R392-E396 PolarHBondContact NH2-OE1 3.14Å; R392-E396 WeakPolarHBondContact O-CG 3.34Å; R392-E396 PolarHBondContact O-N 3.28Å
393R90.8Very high91.3Very high107 Ų10796.8 Ų96.840%0.40448%0.481SS..Hα-helixtrans-60.1-37.6176.3-168.7-172.2-63.7149.10.3111.6Q389 E390 E396 N397Q389-R393 WeakPolarHBondContact O-CB 3.22Å; Q389-R393 PolarHBondContact O-N 3.19Å; E390-R393 PolarHBondContact O-N 3.06Å; R393-E396 PolarHBondContact O-N 2.84Å; R393-N397 VanDerWaalsContact O-CB 3.27Å; R393-N397 WeakPolarHBondContact O-CB 3.35Å; R393-N397 PolarHBondContact O-N 3.38Å; R393-N397 PolarHBondContact O-OD1 2.93Å
394K94.6Very high91.8Very high128 Ų128103 Ų10356%0.55749%0.493SS*.Hα-helixtrans-65.2-39.5173.8-74.5166.4-177.4167.10111.8E390 E391 R392 K398E390-K394 WeakPolarHBondContact O-CB 3.41Å; E390-K394 VanDerWaalsContact O-CG 3.28Å; E390-K394 WeakPolarHBondContact O-CG 3.37Å; E390-K394 PolarHBondContact O-N 2.9Å; E391-K394 PolarHBondContact O-N 2.7Å; R392-K394 VanDerWaalsContact C-N 3.29Å; R392-K394 PolarHBondContact O-N 2.9Å; K394-K398 VanDerWaalsContact O-CG 3.31Å; K394-K398 WeakPolarHBondContact O-CG 3.39Å; K394-K398 PolarHBondContact O-N 3.25Å
395R94.6Very high92.2Very high132 Ų132102.6 Ų102.650%0.49849%0.488SS..Hα-helixtrans-66.4-46.5172.8-64.7-176.7-166.4117.1-5.1111.6E391 R392 K398 I399E391-R395 VanDerWaalsContact CD-CZ 3.44Å; E391-R395 WeakPolarHBondContact O-CG 3.4Å; E391-R395 PolarHBondContact O-N 3.43Å; E391-R395 IonicContact OE1-CZ 3.47Å; E391-R395 IonicContact OE1-NE 2.66Å; E391-R395 IonicContact OE1-NH2 2.7Å; E391-R395 PolarHBondContact OE1-NH2 2.91Å; E391-R395 IonicContact OE2-CZ 3.27Å; E391-R395 VanDerWaalsContact OE2-CZ 3.27Å; E391-R395 IonicContact OE2-NH1 3.29Å; E391-R395 PolarHBondContact OE2-NH1 3.02Å; E391-R395 IonicContact OE2-NH2 2.7Å; E391-R395 PolarHBondContact OE2-NH2 3.44Å; R392-R395 WeakPolarHBondContact O-CB 3.28Å; R392-R395 PolarHBondContact O-N 2.95Å; R392-R395 VanDerWaalsContact O-N 3.08Å; R395-K398 WeakPolarHBondContact O-CB 3.4Å; R395-K398 PolarHBondContact O-N 3.35Å; R395-I399 WeakPolarHBondContact O-CG1 3.45Å; R395-I399 PolarHBondContact O-N 3.41Å
396E94.3Very high92.6Very high79 Ų79104.7 Ų104.737%0.36949%0.49SS..Hα-helixtrans-61.9-43.5178.6-71.9168168.900111.3R392 R393 K398 I399 L400R392-E396 HydrophobicContact CG-CG 4.38Å; R392-E396 WeakPolarHBondContact CG-OE1 3.24Å; R392-E396 IonicContact CZ-OE1 2.72Å; R392-E396 IonicContact NE-OE1 3.99Å; R392-E396 PolarHBondContact NE-OE1 2.94Å; R392-E396 IonicContact NH2-OE1 3.35Å; R392-E396 PolarHBondContact NH2-OE1 3.14Å; R392-E396 WeakPolarHBondContact O-CG 3.34Å; R392-E396 PolarHBondContact O-N 3.28Å; R393-E396 PolarHBondContact O-N 2.84Å; E396-K398 VanDerWaalsContact C-N 3.34Å; E396-K398 PolarHBondContact O-N 3.34Å; E396-I399 PolarHBondContact O-N 3.44Å; E396-L400 WeakPolarHBondContact O-CG 3.5Å; E396-L400 PolarHBondContact O-N 3.09Å
397N94.6Very high93.1Very high93 Ų93105.7 Ų105.750%0.49749%0.494SS..Hα-helixtrans-62-37.3174.7-75.3-0.5000112.9R393 L400 A401R393-N397 VanDerWaalsContact O-CB 3.27Å; R393-N397 WeakPolarHBondContact O-CB 3.35Å; R393-N397 PolarHBondContact O-N 3.38Å; R393-N397 PolarHBondContact O-OD1 2.93Å; N397-L400 PolarHBondContact O-N 2.85Å; N397-A401 WeakPolarHBondContact O-CB 3.36Å; N397-A401 PolarHBondContact O-N 3.23Å
398K95.8Very high93.2Very high160 Ų160106.1 Ų106.170%0.69649%0.493SS*.Hα-helixtrans-64.5-42.3173.7-74.1173.2-179.8-170.40111.6K394 R395 E396 A401 S402K394-K398 VanDerWaalsContact O-CG 3.31Å; K394-K398 WeakPolarHBondContact O-CG 3.39Å; K394-K398 PolarHBondContact O-N 3.25Å; R395-K398 WeakPolarHBondContact O-CB 3.4Å; R395-K398 PolarHBondContact O-N 3.35Å; E396-K398 VanDerWaalsContact C-N 3.34Å; E396-K398 PolarHBondContact O-N 3.34Å; K398-A401 PolarHBondContact O-N 3.37Å; K398-S402 PolarHBondContact O-N 2.87Å; K398-S402 PolarHBondContact O-OG 2.9Å
399I95.8Very high93.2Very high111 Ų111110 Ų11057%0.56950%0.5SS*.Hα-helixtrans-63.3-47.6176-65.2164.4000109.9R395 E396 A401 S402 F403R395-I399 WeakPolarHBondContact O-CG1 3.45Å; R395-I399 PolarHBondContact O-N 3.41Å; E396-I399 PolarHBondContact O-N 3.44Å; I399-A401 VanDerWaalsContact C-N 3.32Å; I399-A401 PolarHBondContact O-N 2.78Å; I399-S402 PolarHBondContact O-N 3.06Å; I399-S402 PolarHBondContact O-OG 2.77Å; I399-F403 WeakPolarHBondContact O-CB 3.38Å; I399-F403 PolarHBondContact O-N 2.85Å
400L95.3Very high93.2Very high89 Ų89112.2 Ų112.247%0.46651%0.508SS..Hα-helixtrans-59.9-38.8176-70.1173.1000112.6E396 N397 F403 R404E396-L400 WeakPolarHBondContact O-CG 3.5Å; E396-L400 PolarHBondContact O-N 3.09Å; N397-L400 PolarHBondContact O-N 2.85Å; L400-F403 PolarHBondContact O-N 3.49Å; L400-R404 WeakPolarHBondContact O-CB 3.4Å; L400-R404 VanDerWaalsContact O-CG 3.24Å; L400-R404 WeakPolarHBondContact O-CG 3.36Å; L400-R404 PolarHBondContact O-N 2.79Å
401A95.1Very high93.2Very high54 Ų54111.4 Ų111.445%0.44651%0.51SS..Hα-helixtrans-63.2-48.4173.900000111.7N397 K398 I399 F403 R404 E405N397-A401 WeakPolarHBondContact O-CB 3.36Å; N397-A401 PolarHBondContact O-N 3.23Å; K398-A401 PolarHBondContact O-N 3.37Å; I399-A401 VanDerWaalsContact C-N 3.32Å; I399-A401 PolarHBondContact O-N 2.78Å; A401-F403 VanDerWaalsContact C-N 3.27Å; A401-F403 PolarHBondContact O-N 3.44Å; A401-R404 PolarHBondContact O-N 3.45Å; A401-E405 PolarHBondContact O-N 3.38Å
402S94.7Very high92.6Very high64 Ų64112.9 Ų112.945%0.44852%0.515SS..Hα-helixtrans-62.1-33.5176.468.40000113.2K398 I399 M406K398-S402 PolarHBondContact O-N 2.87Å; K398-S402 PolarHBondContact O-OG 2.9Å; I399-S402 PolarHBondContact O-N 3.06Å; I399-S402 PolarHBondContact O-OG 2.77Å; S402-M406 WeakPolarHBondContact O-CB 3.32Å; S402-M406 PolarHBondContact O-N 3.01Å
403F96.8Very high91.2Very high124 Ų124108.3 Ų108.354%0.54452%0.516SS..Hα-helixtrans-71.1-43.4175.9-174.3-99.4000111.6I399 L400 A401 E405 M406 V407I399-F403 WeakPolarHBondContact O-CB 3.38Å; I399-F403 PolarHBondContact O-N 2.85Å; L400-F403 PolarHBondContact O-N 3.49Å; A401-F403 VanDerWaalsContact C-N 3.27Å; A401-F403 PolarHBondContact O-N 3.44Å; F403-E405 VanDerWaalsContact C-N 3.32Å; F403-E405 PolarHBondContact O-N 3.15Å; F403-M406 PolarHBondContact O-N 2.87Å; F403-V407 HydrophobicContact CD1-CG2 4.1Å; F403-V407 HydrophobicContact CE1-CG2 3.68Å; F403-V407 HydrophobicContact CE2-CG2 4.37Å; F403-V407 HydrophobicContact CZ-CG2 3.83Å; F403-V407 WeakPolarHBondContact O-CG2 3.34Å; F403-V407 PolarHBondContact O-N 2.94Å
404R94.6Very high89.7Confident184 Ų184111.1 Ų111.169%0.69453%0.531SS*.Hα-helixtrans-58.1-43.8173-73.4168.4-178-175.7-0.4111.5L400 A401 V407 Y408L400-R404 WeakPolarHBondContact O-CB 3.4Å; L400-R404 VanDerWaalsContact O-CG 3.24Å; L400-R404 WeakPolarHBondContact O-CG 3.36Å; L400-R404 PolarHBondContact O-N 2.79Å; A401-R404 PolarHBondContact O-N 3.45Å; R404-V407 PolarHBondContact O-N 3.42Å; R404-Y408 VanDerWaalsContact O-CB 3.28Å; R404-Y408 WeakPolarHBondContact O-CB 3.42Å; R404-Y408 PolarHBondContact O-N 3.38Å
405E93Very high88.1Confident104 Ų104111 Ų11149%0.48654%0.536SS..Hα-helixtrans-61.9-46.9174.9-166.9-154.7133.700111.6A401 F403 V407 Y408 R409A401-E405 PolarHBondContact O-N 3.38Å; F403-E405 VanDerWaalsContact C-N 3.32Å; F403-E405 PolarHBondContact O-N 3.15Å; E405-V407 VanDerWaalsContact C-N 3.34Å; E405-V407 PolarHBondContact O-N 3.47Å; E405-Y408 PolarHBondContact O-N 2.94Å; E405-R409 WeakPolarHBondContact O-CB 3.5Å; E405-R409 VanDerWaalsContact O-CG 3.29Å; E405-R409 WeakPolarHBondContact O-CG 3.45Å; E405-R409 PolarHBondContact O-N 2.96Å; E405-R409 WeakPolarHBondContact OE1-CD 3.31Å; E405-R409 IonicContact OE1-NH1 3.11Å; E405-R409 PolarHBondContact OE1-NH1 3.35Å; E405-R409 VanDerWaalsContact OE1-NH1 3.11Å
406M92.5Very high86.3Confident99 Ų99111.8 Ų111.849%0.48855%0.55SS.*Hα-helixtrans-60.7-41.9178.4-171.9-167.6-59.800112.4S402 F403 K410S402-M406 WeakPolarHBondContact O-CB 3.32Å; S402-M406 PolarHBondContact O-N 3.01Å; F403-M406 PolarHBondContact O-N 2.87Å; M406-K410 WeakPolarHBondContact O-CG 3.46Å; M406-K410 PolarHBondContact O-N 2.8Å; M406-K410 VanDerWaalsContact O-N 3.15Å
407V94.1Very high84.2Confident64 Ų64120.2 Ų120.239%0.38859%0.586SS.*Hα-helixtrans-65.5-50.2175.9172.70000110.2F403 R404 E405 R409 K410 T411F403-V407 HydrophobicContact CD1-CG2 4.1Å; F403-V407 HydrophobicContact CE1-CG2 3.68Å; F403-V407 HydrophobicContact CE2-CG2 4.37Å; F403-V407 HydrophobicContact CZ-CG2 3.83Å; F403-V407 WeakPolarHBondContact O-CG2 3.34Å; F403-V407 PolarHBondContact O-N 2.94Å; R404-V407 PolarHBondContact O-N 3.42Å; E405-V407 VanDerWaalsContact C-N 3.34Å; E405-V407 PolarHBondContact O-N 3.47Å; V407-R409 VanDerWaalsContact C-N 3.3Å; V407-R409 PolarHBondContact O-N 2.81Å; V407-K410 CarbonylContact O-C 3.51Å; V407-K410 WeakPolarHBondContact O-CA 3.4Å; V407-K410 WeakPolarHBondContact O-CB 3.22Å; V407-K410 PolarHBondContact O-N 3.1Å; V407-T411 HydrophobicContact CG1-CG2 4.19Å; V407-T411 PolarHBondContact O-N 2.9Å; V407-T411 PolarHBondContact O-OG1 3.01Å
408Y91.8Very high83.6Confident134 Ų134121.6 Ų121.653%0.52559%0.59SS.*Hα-helixtrans-56.4-42.4179.1-177.4-94.7000112.4R404 E405 K410 T411 K412R404-Y408 VanDerWaalsContact O-CB 3.28Å; R404-Y408 WeakPolarHBondContact O-CB 3.42Å; R404-Y408 PolarHBondContact O-N 3.38Å; E405-Y408 PolarHBondContact O-N 2.94Å; Y408-K410 VanDerWaalsContact C-N 3.32Å; Y408-K410 PolarHBondContact O-N 3.18Å; Y408-T411 PolarHBondContact O-N 3.17Å; Y408-T411 PolarHBondContact O-OG1 3.22Å; Y408-K412 HydrophobicContact CD1-CG 4.48Å; Y408-K412 HydrophobicContact CD2-CG 4.26Å; Y408-K412 HydrophobicContact CE1-CD 4.12Å; Y408-K412 HydrophobicContact CE1-CG 4.17Å; Y408-K412 HydrophobicContact CE2-CD 3.96Å; Y408-K412 HydrophobicContact CE2-CG 3.94Å; Y408-K412 WeakPolarHBondContact O-CB 3.19Å; Y408-K412 PolarHBondContact O-N 3.41Å; Y408-K412 WeakPolarHBondContact OH-CD 3.35Å; Y408-K412 VanDerWaalsContact OH-CE 3.23Å; Y408-K412 WeakPolarHBondContact OH-CE 3.37Å; Y408-K412 PolarHBondContact OH-NZ 3.23Å
409R89.6Confident83Confident174 Ų174119.5 Ų119.566%0.65759%0.585SS**Hα-helixtrans-64.6-32.9174.6-72.2173.265.5172.10.9113.1E405 V407E405-R409 WeakPolarHBondContact O-CB 3.5Å; E405-R409 VanDerWaalsContact O-CG 3.29Å; E405-R409 WeakPolarHBondContact O-CG 3.45Å; E405-R409 PolarHBondContact O-N 2.96Å; E405-R409 WeakPolarHBondContact OE1-CD 3.31Å; E405-R409 IonicContact OE1-NH1 3.11Å; E405-R409 PolarHBondContact OE1-NH1 3.35Å; E405-R409 VanDerWaalsContact OE1-NH1 3.11Å; V407-R409 VanDerWaalsContact C-N 3.3Å; V407-R409 PolarHBondContact O-N 2.81Å
410K89.9Confident82.3Confident144 Ų144120 Ų12063%0.62659%0.585SS**Hα-helixtrans-80.8-27.7177.6-78-179.5175.8-178.10113.9M406 V407 Y408M406-K410 WeakPolarHBondContact O-CG 3.46Å; M406-K410 PolarHBondContact O-N 2.8Å; M406-K410 VanDerWaalsContact O-N 3.15Å; V407-K410 CarbonylContact O-C 3.51Å; V407-K410 WeakPolarHBondContact O-CA 3.4Å; V407-K410 WeakPolarHBondContact O-CB 3.22Å; V407-K410 PolarHBondContact O-N 3.1Å; Y408-K410 VanDerWaalsContact C-N 3.32Å; Y408-K410 PolarHBondContact O-N 3.18Å
411T87.8Confident81.5Confident69 Ų69121.8 Ų121.842%0.42359%0.592SS.*Hα-helixtrans-85.4-53.9178.356.70000111V407 Y408 G413 K414V407-T411 HydrophobicContact CG1-CG2 4.19Å; V407-T411 PolarHBondContact O-N 2.9Å; V407-T411 PolarHBondContact O-OG1 3.01Å; Y408-T411 PolarHBondContact O-N 3.17Å; Y408-T411 PolarHBondContact O-OG1 3.22Å; T411-G413 VanDerWaalsContact C-N 3.26Å; T411-G413 PolarHBondContact O-N 3.17Å; T411-K414 WeakPolarHBondContact O-CB 3.47Å; T411-K414 PolarHBondContact O-N 3.17Å
412K77.6Confident80.7Confident104 Ų104126.1 Ų126.145%0.45260%0.602SS.*Hα-helixtrans-59.9-33.3-178.5-76.9-127.8168.2-178.70113.9Y408 K414 D415Y408-K412 HydrophobicContact CD1-CG 4.48Å; Y408-K412 HydrophobicContact CD2-CG 4.26Å; Y408-K412 HydrophobicContact CE1-CD 4.12Å; Y408-K412 HydrophobicContact CE1-CG 4.17Å; Y408-K412 HydrophobicContact CE2-CD 3.96Å; Y408-K412 HydrophobicContact CE2-CG 3.94Å; Y408-K412 WeakPolarHBondContact O-CB 3.19Å; Y408-K412 PolarHBondContact O-N 3.41Å; Y408-K412 WeakPolarHBondContact OH-CD 3.35Å; Y408-K412 VanDerWaalsContact OH-CE 3.23Å; Y408-K412 WeakPolarHBondContact OH-CE 3.37Å; Y408-K412 PolarHBondContact OH-NZ 3.23Å; K412-K414 PolarHBondContact O-N 2.95Å; K412-D415 PolarHBondContact O-N 3.4Å
413G62.3Low79.7Confident58 Ų58130.2 Ų130.260%0.59861%0.612SS**Hα-helixtrans-68.33.7174.900000115.7T411T411-G413 VanDerWaalsContact C-N 3.26Å; T411-G413 PolarHBondContact O-N 3.17Å
414K59.6Low78.5Confident165 Ų165130.6 Ų130.672%0.71762%0.617SS**Hα-helixtrans-108.9-18.9172.7-71.8-177.3164.5-171.10114.1T411 K412T411-K414 WeakPolarHBondContact O-CB 3.47Å; T411-K414 PolarHBondContact O-N 3.17Å; K412-K414 PolarHBondContact O-N 2.95Å
415D60.3Low77.3Confident126 Ų126126.5 Ų126.567%0.67461%0.611SS**Hα-helixtrans-88.8-17.8-173.9-53.6-41.3000112.1K412K412-D415 PolarHBondContact O-N 3.4Å
416D57.4Low76Confident148 Ų148128.4 Ų128.479%0.79162%0.621SS**  trans-95.938.5178.9-64.8-42.3000112.8
417K48.9Very low74.5Confident256 Ų256131.1 Ų131.1100%1.11363%0.633SS**  trans-1490-176.5-136-176.7-171.6-175.30116.4

Retrieved 417 of 417 residues in 197.8 ms (Link to these results)