A0A087Y140_POEFO Loading...

Zinc finger protein 385C

AlphaFold DB , UniProt , Accession A0A087Y140, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 652 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.6Very low35.7Very low221 Ų221142 Ų142100%1.08984%0.836SS**  0122.10-92.2-157.4-17900108.1
2F32.4Very low36.2Very low194 Ų194144.2 Ų144.285%0.85183%0.831SS**  trans55.9163.1168.4-64.8-82.5000117
3S34.1Very low36.1Very low104 Ų104147.7 Ų147.773%0.72783%0.83SS**  cis-151.8158.8-40.6-162.80000109.7
4S39.9Very low36.1Very low103 Ų103152.5 Ų152.572%0.7283%0.829SS**  trans-61.9166.9174.2-45.10000114.6
5C39.5Very low36.2Very low107 Ų107150.7 Ų150.772%0.72382%0.817SS**  111.9146.5122.1-117.40000120.4
6L36.7Very low36.2Very low154 Ų154155.2 Ų155.281%0.80682%0.82SS**  trans72152.4161-52.6158.7000115.7
7L36.3Very low35.9Very low156 Ų156149.9 Ų149.982%0.81781%0.812SS**  cis-142.61622.4-163.664.9000111.1
8A37Very low35.8Very low96 Ų96148.9 Ų148.979%0.79382%0.818SS**  trans-83.2160.9173.900000113.4
9G31.9Very low35.6Very low79 Ų79146.5 Ų146.581%0.81482%0.82SS**  trans-152.8112.317700000114.1
10F37Very low35.4Very low211 Ų211147.8 Ų147.893%0.92582%0.824SS**  trans-82.4147.5175.2-109.9-111000112.1
11C34.1Very low35.4Very low137 Ų137145 Ų14593%0.92682%0.82SS**  trans-161.5153144-110.90000113.9
12H41.7Very low36.3Very low168 Ų168139.7 Ų139.778%0.77880%0.802SS**  trans-158.8124.5-165.6174.6-106.5000112.6
13K34.9Very low36.1Very low190 Ų190135.8 Ų135.883%0.82680%0.798SS**  trans-164.2129.9169.7-100.4155-179.9176.70107.7
14R36.9Very low35.9Very low215 Ų215137.4 Ų137.481%0.81179%0.793SS**  70.3137.968.7-74.1-168.1172.2-168.31.5113.5
15I37.7Very low35.4Very low125 Ų125140.8 Ų140.864%0.64180%0.796SS**  cis-166.2154-7.1-118174.6000110.2
16Y35.1Very low34.9Very low223 Ų223138.6 Ų138.688%0.87578%0.781SS**  trans33.5148.3158.3-77.4-116.9000124.1
17G31.7Very low34.7Very low66 Ų66139.6 Ų139.668%0.6878%0.783SS**  trans155.1103.4134.700000120.8
18S33.2Very low34.5Very low132 Ų132140.2 Ų140.292%0.92378%0.78SS**  trans50.8127.8135.6-51.40000124.7
19A32Very low34.4Very low103 Ų103147 Ų14785%0.85179%0.785SS**  trans-169.9157137.400000111.9
20L33Very low35.5Very low171 Ų171147.3 Ų147.390%0.89577%0.772SS**  trans-148.5146.5-174.6-94.6170.2000114.4
21A34.5Very low35Very low91 Ų91146.7 Ų146.775%0.75277%0.77SS**  trans63.4-174.9155.100000116.5
22P52.9Low34.7Very low109 Ų109145.2 Ų145.271%0.70876%0.761SS**  cis-138.9-165.7-3.437.9-15.9000116.2
23C27.3Very low35.2Very low112 Ų112143.2 Ų143.276%0.75776%0.763SS**  trans78.3149154.1-64.40000119.8
24E31.2Very low34.8Very low137 Ų137139.8 Ų139.864%0.6476%0.763SS**  cis-161.4163-7.6-116.9-69.472.800113.6
25F28.8Very low34.3Very low175 Ų175134.1 Ų134.177%0.76876%0.756SS**  trans31163.1151.7-100.2-142.1000123.7
26C28.5Very low33.9Very low61 Ų61137.8 Ų137.841%0.41277%0.768SS.*  cis169.9146.9-27.3174.10000108.6K28C26-K28 PolarHBondContact SG-NZ 2.65Å
27M33.8Very low33.9Very low174 Ų174133 Ų13386%0.85776%0.764SS**  trans-177.5160.7144.1-102.9-57.2167.800113.1
28K31.6Very low33.9Very low170 Ų170138.1 Ų138.174%0.73977%0.768SS**  trans-146177.2-177.2-53.294.1174.8-174.60109.8C26C26-K28 PolarHBondContact SG-NZ 2.65Å
29R34.1Very low34.3Very low238 Ų238138 Ų13890%0.89876%0.764SS**  cis-137.1-858.7-176.5-175.5-174-176.62.5115.2
30P55.2Low34Very low86 Ų86139.3 Ų139.356%0.55876%0.757SS**  trans-137.6-180-160.343.8-23.4000117.5
31F26.1Very low33.8Very low198 Ų198139 Ų13987%0.86876%0.755SS**  -175.5174.5115.8-107.2-73.1000112.1
32S29.2Very low33.4Very low106 Ų106142.3 Ų142.374%0.74176%0.755SS**  trans-130.9-169.2-162.5-50.40000111.6
33P52.1Low32.2Very low125 Ų125148.6 Ų148.681%0.81276%0.764SS**  trans-89.7173.2-150.738.7-41.3000116.4
34S26.8Very low32.2Very low118 Ų118148.2 Ų148.283%0.82576%0.763SS**  trans-135.7168.116260.50000111.7
35S26.7Very low32.3Very low97 Ų97146.7 Ų146.768%0.67877%0.768SS**  trans-155.2-173.1-174.4-69.30000110.7
36F27.2Very low32.4Very low202 Ų202145.1 Ų145.189%0.88677%0.772SS**  trans78.2154.5178.6-49.9-72.8000116.5
37P36.7Very low32.5Very low122 Ų122145.9 Ų145.979%0.79279%0.79SS**  cis-128-179-24.928.9-7.9000114.3
38F30.9Very low32.3Very low174 Ų174149.1 Ų149.176%0.76379%0.793SS**  trans-79.1168.5173-77-104.9000112.4
39P41.5Very low32Very low129 Ų129148.2 Ų148.284%0.83879%0.791SS**  -133.9158.784.126.8-8.1000115.4
40D25.4Very low31.8Very low131 Ų131144.3 Ų144.370%0.70178%0.783SS**  trans-85167.9172.9-75.2-80.9000113.5
41L28.7Very low31.3Very low165 Ų165145.2 Ų145.286%0.86479%0.789SS**  trans-148.8105.8145-159.671.6000112.7
42E26.1Very low31.4Very low160 Ų160144.2 Ų144.275%0.74879%0.791SS**  trans40.2122.9148.6-66.7-56.7104.200121.8
43R29Very low31.6Very low240 Ų240147 Ų14791%0.90679%0.792SS**  trans-12696.2150.2-171.5-178.6-170-144.9-1.8110.3
44S27.7Very low30.5Very low105 Ų105149.9 Ų149.973%0.73480%0.797SS**  trans-61.1141.1174.2-175.30000112.1
45S31.6Very low30.5Very low105 Ų105151 Ų15173%0.73479%0.794SS**  trans-108.9143.8178.255.70000110.9
46V31.5Very low30.6Very low142 Ų142152 Ų15286%0.86180%0.801SS**  trans-139.3131.5149.9-1730000108.5
47G31.3Very low30.8Very low76 Ų76151.8 Ų151.878%0.78480%0.803SS**  trans-125.9146.3158.100000108.2
48R28.7Very low30.2Very low243 Ų243151.7 Ų151.792%0.91781%0.805SS**  trans-151.4141.2171.1-166.4170.7-177.6169.82.2110
49E25.8Very low29.9Very low151 Ų151148.9 Ų148.971%0.70681%0.805SS**  trans-101.4158.1177.5-84.9-145.6138.800112.7
50Q29.2Very low29Very low155 Ų155152.2 Ų152.272%0.72481%0.807SS**  trans63.6164.2151.9-72.817664.400118.2
51P45.9Very low29.1Very low106 Ų106151.9 Ų151.969%0.68880%0.801SS**  cis-131-179.4-45.238-24000111.1
52I28.2Very low29.1Very low177 Ų177152 Ų15291%0.90880%0.801SS**  trans-178.3154146.9-99.1152.6000110.1
53Q32.6Very low29.2Very low165 Ų165150.5 Ų150.577%0.77179%0.794SS**  trans-127.4136.7178.3166.1-169.3-12.700108.7
54M29.2Very low29Very low184 Ų184146.9 Ų146.991%0.90679%0.793SS**  trans-175.1163.6144.8-108.1168.8-178.200113
55D27.3Very low29.2Very low142 Ų142149.6 Ų149.676%0.75979%0.794SS**  trans-90.4159.9-165.6-50.7-100.6000114.5
56S27.9Very low29.2Very low118 Ų118147.4 Ų147.483%0.82579%0.788SS**  trans-161.4116154.863.80000111.5
57E30.8Very low29.1Very low198 Ų198148.1 Ų148.193%0.92578%0.782SS**  trans-89.2143.8168.7-60.318011900110.8
58S25.1Very low29Very low120 Ų120151.5 Ų151.584%0.83978%0.775SS**  trans-161115.3157.465.30000111.4
59C24.5Very low29Very low114 Ų114146 Ų14677%0.7776%0.763SS**  trans-90.3153.8171.4-69.30000111.8
60F23.6Very low29.2Very low199 Ų199146.3 Ų146.387%0.87376%0.764SS**  trans-167.7116.3142.8-87.3-64.7000105.1
61E27.1Very low29.1Very low124 Ų124144.5 Ų144.558%0.57976%0.759SS**  cis77.495.336-163.5179.3-151.900114.8Q63E61-Q63 HydrophobicContact CG-CB 4.22Å; E61-Q63 PolarHBondContact OE1-NE2 2.79Å
62I27.3Very low28.4Very low168 Ų168144.8 Ų144.886%0.86276%0.759SS**  trans-150.7112.7134-58.8-171.2000103.3
63Q28.8Very low28.3Very low128 Ų128141.6 Ų141.660%0.59875%0.753SS**  cis80.2103.232.7-162169.277.800114.3E61 E65E61-Q63 HydrophobicContact CG-CB 4.22Å; E61-Q63 PolarHBondContact OE1-NE2 2.79Å; Q63-E65 HydrophobicContact CG-CG 4.15Å
64D25Very low28.3Very low165 Ų165142.8 Ų142.888%0.88276%0.758SS**  trans-144.4133.9148-163.4-140.7000106.8
65E32.7Very low28.3Very low162 Ų162138 Ų13876%0.75776%0.755SS**  trans-125.3165.6-155.3-91.2-69.3153.400114Q63Q63-E65 HydrophobicContact CG-CG 4.15Å
66G31.2Very low28.4Very low59 Ų59134.7 Ų134.761%0.60876%0.755SS**  trans102.6144.7160.500000116.3
67E28.2Very low28.6Very low157 Ų157135.6 Ų135.673%0.73476%0.756SS**  cis-152.5162.46.1-73.2-103.893.600106.7
68K28.9Very low28.6Very low147 Ų147136.1 Ų136.164%0.63975%0.749SS**  cis-169.1170.2-4.7-115.6-169.4170.872.80105.6
69L29.5Very low28.8Very low127 Ų127138.4 Ų138.467%0.66575%0.746SS**  cis-167.5146.4-11.6-176.663000107.5
70H31.1Very low29.4Very low158 Ų158137.5 Ų137.573%0.73174%0.742SS**  trans64.4156.8160.3-93.1-130.8000118.5
71D27Very low30.2Very low116 Ų116133.9 Ų133.962%0.6274%0.738SS**  cis-149.9159.5-14.4-161.9-145.4000113.4
72T29.7Very low30.7Very low112 Ų112133.8 Ų133.869%0.68775%0.748SS**  trans-2130.3154.6-52.80000120.6
73S27.8Very low30.7Very low111 Ų111135.7 Ų135.778%0.77675%0.746SS**  -176.7166.1116.3-162.60000113.6
74H30.8Very low31Very low189 Ų189140.3 Ų140.388%0.87576%0.758SS**  trans-111163.6180-63.8-19.4000112.6
75G29.1Very low31.6Very low83 Ų83138.4 Ų138.486%0.85676%0.755SS**  trans128.6112.4165.100000113.5
76G30.6Very low31.5Very low73 Ų73139.8 Ų139.875%0.75376%0.758SS**  trans-117.9169.9-179.900000113.5
77T31.9Very low31.9Very low137 Ų137148.9 Ų148.984%0.8477%0.774SS**  trans-154.9120164.3-83.60000113
78R31.4Very low32.4Very low209 Ų209150 Ų15079%0.78978%0.779SS**  trans44.5132.5148.7-69.8-173.7175.3-88.5-1.6124
79H29.3Very low33Very low168 Ų168152.4 Ų152.478%0.77878%0.784SS**  trans84.1122.6142.9-83.4-67.3000121.8
80S35.8Very low33Very low96 Ų96155.6 Ų155.667%0.67179%0.793SS**  trans-93.1161.5170.362.30000111.8
81P41.1Very low33.5Very low123 Ų123156.1 Ų156.180%0.79980%0.795SS**  -133163.381.3139.5000114.8
82P36.8Very low34.3Very low122 Ų122159.1 Ų159.179%0.79280%0.798SS**PPolyproline II helixtrans-84.8124.9-169.732.1-35.2000114.8
83Y28.2Very low35.2Very low208 Ų208159.1 Ų159.182%0.81680%0.798SS**PPolyproline II helixtrans-78.3123.2167.8-170.2-94.3000110.9P85Y83-P85 WeakPolarHBondContact O-CD 3.24Å
84R35.2Very low36.6Very low225 Ų225158.7 Ų158.785%0.84978%0.78SS**PPolyproline II helixtrans-71.4126.6-178.1-84.8-167.8169.5-155.4-2.1112.5K86R84-K86 PolarHBondContact O-N 2.97Å
85P37.3Very low38.9Very low125 Ų125152.4 Ų152.481%0.81276%0.755SS**PPolyproline II helixtrans-58.6127.5170-26.236.3000112.4Y83 R87Y83-P85 WeakPolarHBondContact O-CD 3.24Å; P85-R87 PolarHBondContact O-N 2.93Å
86K31.1Very low41.6Very low190 Ų190153.5 Ų153.583%0.82674%0.741SS**PPolyproline II helixtrans-71123-179.8-161.6170.5-172.9170.80108.8R84 E88R84-K86 PolarHBondContact O-N 2.97Å; K86-E88 PolarHBondContact O-N 2.88Å
87R39.4Very low44.5Very low250 Ų250150 Ų15094%0.94371%0.705SS**  trans-48.1108-175.5-99.2-176.4173163.3-1.5112P85P85-R87 PolarHBondContact O-N 2.93Å
88E37.9Very low47.1Very low181 Ų181151.4 Ų151.485%0.84670%0.702SS**  trans-63.7146.7172.7-71.6-162106.600111.8K86 K90K86-E88 PolarHBondContact O-N 2.88Å; E88-K90 PolarHBondContact O-N 2.74Å
89R41.9Very low49.9Very low197 Ų197143 Ų14374%0.74367%0.674SS**  trans-78.969.1177.7-173.4173.7170.4172.5-6.1109.8Q91R89-Q91 PolarHBondContact O-N 2.9Å
90K29.5Very low52.7Low194 Ų194136 Ų13684%0.84364%0.643SS**  trans-38.8124.3-174.3-163.2166.8-170.7168.10112E88 R92E88-K90 PolarHBondContact O-N 2.74Å; K90-R92 PolarHBondContact O-N 3.22Å
91Q41Very low55.1Low169 Ų169137.2 Ų137.279%0.7964%0.642SS**  trans-54.5138.3-177.4-65.1179.7-3.100110.8R89 T93R89-Q91 PolarHBondContact O-N 2.9Å; Q91-T93 PolarHBondContact O-N 3.5Å
92R45.2Very low57.3Low180 Ų180135 Ų13568%0.67962%0.623SS**  trans-79.286.2176.8-72.6-172.6175.6-164.5-1.2110.1K90 Y94K90-R92 PolarHBondContact O-N 3.22Å; R92-Y94 VanDerWaalsContact C-N 3.31Å; R92-Y94 HydrophobicContact CB-CD2 4.37Å; R92-Y94 HydrophobicContact CB-CE1 4.43Å; R92-Y94 HydrophobicContact CB-CE2 3.8Å; R92-Y94 VanDerWaalsContact CD-OH 3.26Å; R92-Y94 WeakPolarHBondContact CD-OH 3.49Å; R92-Y94 WeakPolarHBondContact O-CD2 3.25Å; R92-Y94 WeakPolarHBondContact O-CE2 3.13Å; R92-Y94 PolarHBondContact O-N 3.45Å
93T48.8Very low59.7Low111 Ų111134.1 Ų134.168%0.68161%0.608SS**  trans-68.887.1169.946.70000110.1Q91 T95Q91-T93 PolarHBondContact O-N 3.5Å; T93-T95 PolarHBondContact O-N 3.45Å
94Y55.9Low62.7Low103 Ų103124.4 Ų124.440%0.40457%0.57SS.*  trans-69.1115.5173-59.2-80.8000109.4R92 Q103 L104 N105R92-Y94 VanDerWaalsContact C-N 3.31Å; R92-Y94 HydrophobicContact CB-CD2 4.37Å; R92-Y94 HydrophobicContact CB-CE1 4.43Å; R92-Y94 HydrophobicContact CB-CE2 3.8Å; R92-Y94 VanDerWaalsContact CD-OH 3.26Å; R92-Y94 WeakPolarHBondContact CD-OH 3.49Å; R92-Y94 WeakPolarHBondContact O-CD2 3.25Å; R92-Y94 WeakPolarHBondContact O-CE2 3.13Å; R92-Y94 PolarHBondContact O-N 3.45Å; Y94-Q103 HydrophobicContact CD1-CG 4.29Å; Y94-Q103 HydrophobicContact CG-CG 4.43Å; Y94-L104 WeakPolarHBondContact CA-O 3.19Å; Y94-N105 HydrophobicContact CE1-CB 4.48Å; Y94-N105 WeakPolarHBondContact CE1-OD1 3.26Å
95T78.6Confident65Low56 Ų56117.8 Ų117.834%0.34455%0.552SS.*EExtended strand (participates in β ladder)trans-91129.7173.638.90000109.1T93 L104T93-T95 PolarHBondContact O-N 3.45Å; T95-L104 PolarHBondContact N-O 3.31Å; T95-L104 VanDerWaalsContact N-O 3.11Å; T95-L104 WeakPolarHBondContact O-CA 3.4Å; T95-L104 VanDerWaalsContact O-CB 3.28Å; T95-L104 WeakPolarHBondContact O-CB 3.13Å; T95-L104 PolarHBondContact O-N 3.33Å
96L87.3Confident67.4Low106 Ų106114.8 Ų114.856%0.55553%0.534SS*.EExtended strand (participates in β ladder)trans-101.3121.6178-114.9162.7000108.9E98 Q103L96-E98 PolarHBondContact O-N 2.79Å; L96-Q103 HydrophobicContact CD2-CB 4.27Å; L96-Q103 HydrophobicContact CG-CB 4.2Å; L96-Q103 HydrophobicContact CG-CG 4.42Å
97C90.7Very high70.1Confident1 Ų1109.1 Ų109.11%0.00752%0.522CS..EExtended strand (participates in β ladder)trans-86.3105.4172.41700000109.1C100 N101 I102 L104 H113 Y114 H119C97-C100 PolarHBondContact O-N 3.49Å; C97-N101 WeakPolarHBondContact O-CA 3.4Å; C97-N101 PolarHBondContact O-N 3.09Å; C97-I102 PolarHBondContact N-O 3.39Å; C97-I102 PolarHBondContact O-N 3.42Å; C97-L104 HydrophobicContact CB-CD1 3.79Å; C97-H113 VanDerWaalsContact SG-CD2 3.56Å; C97-H113 PolarHBondContact SG-NE2 3.41Å; C97-Y114 HydrophobicContact CB-CE1 4.09Å; C97-H119 PolarHBondContact SG-CE1 3.15Å; C97-H119 PolarHBondContact SG-ND1 2.99Å; C97-H119 VanDerWaalsContact SG-ND1 3.37Å
98E87.3Confident72.4Confident165 Ų16599.5 Ų99.577%0.77150%0.497SS*.THydrogen-bonded Turntrans-63.2-44.5-176.7-58-177.9162.700112.2L96 C100 N101L96-E98 PolarHBondContact O-N 2.79Å; E98-C100 PolarHBondContact O-N 2.92Å; E98-C100 VanDerWaalsContact O-N 3.11Å; E98-N101 PolarHBondContact O-N 3.32Å; E98-N101 VanDerWaalsContact O-N 3.12Å; E98-N101 PolarHBondContact O-ND2 3.09Å
99V89.6Confident74.8Confident34 Ų3495.1 Ų95.121%0.20648%0.476CS..THydrogen-bonded Turntrans-51.1-39.4177.4-179.50000112R122 L123 I126V99-R122 HydrophobicContact CG1-CB 4.24Å; V99-R122 HydrophobicContact CG1-CG 4.1Å; V99-R122 WeakPolarHBondContact O-CD 3.41Å; V99-R122 PolarHBondContact O-NE 3.34Å; V99-L123 HydrophobicContact CG1-CD2 4.11Å; V99-L123 HydrophobicContact CG1-CG 4.17Å; V99-L123 HydrophobicContact CG2-CD2 3.71Å; V99-I126 HydrophobicContact CB-CD1 4.43Å; V99-I126 HydrophobicContact CG1-CD1 3.93Å; V99-I126 HydrophobicContact CG2-CD1 4.06Å
100C87.5Confident77.1Confident19 Ų1986.1 Ų86.113%0.12844%0.444CS..THydrogen-bonded Turntrans-101.7-16.4-179.5-72.20000114.2C97 E98 I102 H113 H119 R122C97-C100 PolarHBondContact O-N 3.49Å; E98-C100 PolarHBondContact O-N 2.92Å; E98-C100 VanDerWaalsContact O-N 3.11Å; C100-I102 HydrophobicContact CB-CB 4.38Å; C100-I102 HydrophobicContact CB-CD1 3.94Å; C100-I102 HydrophobicContact CB-CG1 3.95Å; C100-H113 WeakPolarHBondContact CB-NE2 3.34Å; C100-H113 VanDerWaalsContact SG-CE1 3.56Å; C100-H113 PolarHBondContact SG-NE2 2.99Å; C100-H113 VanDerWaalsContact SG-NE2 3.4Å; C100-H119 PolarHBondContact SG-ND1 3.46Å; C100-R122 PolarHBondContact O-NH1 3.11Å
101N86.1Confident79.9Confident122 Ų12282.9 Ų82.965%0.65243%0.432SS*.THydrogen-bonded Turntrans51.851.7-164.4-75.2-98.3000112.4C97 E98C97-N101 WeakPolarHBondContact O-CA 3.4Å; C97-N101 PolarHBondContact O-N 3.09Å; E98-N101 PolarHBondContact O-N 3.32Å; E98-N101 VanDerWaalsContact O-N 3.12Å; E98-N101 PolarHBondContact O-ND2 3.09Å
102I88.2Confident82.4Confident77 Ų7781.1 Ų81.140%0.39543%0.426SS..EExtended strand (participates in β ladder)trans-121.5125.6179.4-64.1178.5000110C97 C100 L104C97-I102 PolarHBondContact N-O 3.39Å; C97-I102 PolarHBondContact O-N 3.42Å; C100-I102 HydrophobicContact CB-CB 4.38Å; C100-I102 HydrophobicContact CB-CD1 3.94Å; C100-I102 HydrophobicContact CB-CG1 3.95Å; I102-L104 HydrophobicContact CG2-CD2 4.15Å; I102-L104 HydrophobicContact CG2-CG 4.41Å
103Q87.7Confident84.7Confident104 Ų10473.8 Ų73.849%0.48640%0.4SS..EExtended strand (participates in β ladder)trans-82.3125.2173.1-171.4178.811.900110.3Y94 L96Y94-Q103 HydrophobicContact CD1-CG 4.29Å; Y94-Q103 HydrophobicContact CG-CG 4.43Å; L96-Q103 HydrophobicContact CD2-CB 4.27Å; L96-Q103 HydrophobicContact CG-CB 4.2Å; L96-Q103 HydrophobicContact CG-CG 4.42Å
104L91.1Very high86.8Confident3 Ų373 Ų732%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-110.7133.7-173.1-58.3150.5000108.5Y94 T95 C97 I102 Q109 A110 H113Y94-L104 WeakPolarHBondContact CA-O 3.19Å; T95-L104 PolarHBondContact N-O 3.31Å; T95-L104 VanDerWaalsContact N-O 3.11Å; T95-L104 WeakPolarHBondContact O-CA 3.4Å; T95-L104 VanDerWaalsContact O-CB 3.28Å; T95-L104 WeakPolarHBondContact O-CB 3.13Å; T95-L104 PolarHBondContact O-N 3.33Å; C97-L104 HydrophobicContact CB-CD1 3.79Å; I102-L104 HydrophobicContact CG2-CD2 4.15Å; I102-L104 HydrophobicContact CG2-CG 4.41Å; L104-Q109 HydrophobicContact CD2-CG 3.96Å; L104-A110 HydrophobicContact CB-CB 4.23Å; L104-A110 HydrophobicContact CD1-CB 3.94Å; L104-H113 HydrophobicContact CD1-CB 4.23Å; L104-H113 HydrophobicContact CD2-CB 3.64Å
105N84.1Confident88.5Confident87 Ų8773.9 Ų73.947%0.46540%0.397SS..SBendtrans-101.60.7-164-57-96.8000113Y94 Q109Y94-N105 HydrophobicContact CE1-CB 4.48Å; Y94-N105 WeakPolarHBondContact CE1-OD1 3.26Å; N105-Q109 PolarHBondContact ND2-OE1 3.46Å; N105-Q109 VanDerWaalsContact ND2-OE1 3.08Å
106S87.5Confident89.3Confident62 Ų6272 Ų7243%0.43439%0.388SS..SBendtrans-162146.9-177.6171.20000109.3A108 Q109 A110S106-A108 VanDerWaalsContact C-N 3.26Å; S106-A108 PolarHBondContact O-N 3.2Å; S106-A108 PolarHBondContact OG-N 3.12Å; S106-Q109 WeakPolarHBondContact O-CA 3.31Å; S106-Q109 WeakPolarHBondContact O-CB 3.34Å; S106-Q109 PolarHBondContact O-N 2.82Å; S106-A110 PolarHBondContact O-N 3.36Å
107A86.1Confident89.4Confident70 Ų7075.7 Ų75.758%0.57940%0.4SS*.Hα-helixtrans-56.5-39.2174.900000112.3Q109 A110 Q111A107-Q109 VanDerWaalsContact C-N 3.34Å; A107-Q109 PolarHBondContact O-N 3.14Å; A107-A110 WeakPolarHBondContact O-CB 3.43Å; A107-A110 PolarHBondContact O-N 3.28Å; A107-A110 VanDerWaalsContact O-N 3.12Å; A107-Q111 WeakPolarHBondContact O-CG 3.45Å; A107-Q111 PolarHBondContact O-N 3.16Å
108A87.6Confident89.4Confident49 Ų4980 Ų8041%0.40543%0.43SS..Hα-helixtrans-64.7-36.9174.700000112.3S106 A110 Q111 I112S106-A108 VanDerWaalsContact C-N 3.26Å; S106-A108 PolarHBondContact O-N 3.2Å; S106-A108 PolarHBondContact OG-N 3.12Å; A108-A110 VanDerWaalsContact C-N 3.29Å; A108-A110 PolarHBondContact O-N 3.38Å; A108-Q111 PolarHBondContact O-N 3.26Å; A108-I112 WeakPolarHBondContact O-CB 3.46Å; A108-I112 WeakPolarHBondContact O-CD1 3.49Å; A108-I112 VanDerWaalsContact O-CG1 3.23Å; A108-I112 WeakPolarHBondContact O-CG1 3.41Å; A108-I112 PolarHBondContact O-N 2.98Å
109Q89.1Confident89.7Confident89 Ų8972.4 Ų72.442%0.41640%0.395SS..Hα-helixtrans-65.3-36.2173.5-165.5-176.619.400110.9L104 N105 S106 A107 H113L104-Q109 HydrophobicContact CD2-CG 3.96Å; N105-Q109 PolarHBondContact ND2-OE1 3.46Å; N105-Q109 VanDerWaalsContact ND2-OE1 3.08Å; S106-Q109 WeakPolarHBondContact O-CA 3.31Å; S106-Q109 WeakPolarHBondContact O-CB 3.34Å; S106-Q109 PolarHBondContact O-N 2.82Å; A107-Q109 VanDerWaalsContact C-N 3.34Å; A107-Q109 PolarHBondContact O-N 3.14Å; Q109-H113 WeakPolarHBondContact O-CB 3.2Å; Q109-H113 PolarHBondContact O-N 3.39Å
110A90Very high89.8Confident8 Ų875 Ų757%0.06640%0.404CS..Hα-helixtrans-68.9-45.6176.400000112.5L104 S106 A107 A108 I112 H113 Y114L104-A110 HydrophobicContact CB-CB 4.23Å; L104-A110 HydrophobicContact CD1-CB 3.94Å; S106-A110 PolarHBondContact O-N 3.36Å; A107-A110 WeakPolarHBondContact O-CB 3.43Å; A107-A110 PolarHBondContact O-N 3.28Å; A107-A110 VanDerWaalsContact O-N 3.12Å; A108-A110 VanDerWaalsContact C-N 3.29Å; A108-A110 PolarHBondContact O-N 3.38Å; A110-I112 PolarHBondContact O-N 3.38Å; A110-H113 WeakPolarHBondContact O-CA 3.48Å; A110-H113 WeakPolarHBondContact O-CB 3.38Å; A110-H113 PolarHBondContact O-N 3.47Å; A110-Y114 HydrophobicContact CB-CD2 4.27Å; A110-Y114 HydrophobicContact CB-CE2 4.02Å; A110-Y114 WeakPolarHBondContact O-CD2 3.49Å; A110-Y114 PolarHBondContact O-N 3.45Å
111Q88.4Confident90Very high126 Ų12680.8 Ų80.859%0.58943%0.427SS*.Hα-helixtrans-58.1-46.5174.4-71.9169.2-39.900111.8A107 A108 H113 Y114 N115A107-Q111 WeakPolarHBondContact O-CG 3.45Å; A107-Q111 PolarHBondContact O-N 3.16Å; A108-Q111 PolarHBondContact O-N 3.26Å; Q111-H113 PolarHBondContact O-N 3.17Å; Q111-Y114 PolarHBondContact O-N 3.01Å; Q111-N115 VanDerWaalsContact O-CB 3.3Å; Q111-N115 WeakPolarHBondContact O-CB 3.3Å; Q111-N115 PolarHBondContact O-N 2.94Å
112I92.9Very high90Very high132 Ų13279 Ų7968%0.67741%0.412SS*.Hα-helixtrans-62.7-32.2175.2-66.7165.4000111.5A108 A110 G116A108-I112 WeakPolarHBondContact O-CB 3.46Å; A108-I112 WeakPolarHBondContact O-CD1 3.49Å; A108-I112 VanDerWaalsContact O-CG1 3.23Å; A108-I112 WeakPolarHBondContact O-CG1 3.41Å; A108-I112 PolarHBondContact O-N 2.98Å; A110-I112 PolarHBondContact O-N 3.38Å; I112-G116 PolarHBondContact O-N 2.94Å
113H94.3Very high90.2Very high26 Ų2678.7 Ų78.712%0.1241%0.41CS..Hα-helixtrans-72.5-51.9176.2-177.272.3000112.6C97 C100 L104 Q109 A110 Q111 N115 G116 H119C97-H113 VanDerWaalsContact SG-CD2 3.56Å; C97-H113 PolarHBondContact SG-NE2 3.41Å; C100-H113 WeakPolarHBondContact CB-NE2 3.34Å; C100-H113 VanDerWaalsContact SG-CE1 3.56Å; C100-H113 PolarHBondContact SG-NE2 2.99Å; C100-H113 VanDerWaalsContact SG-NE2 3.4Å; L104-H113 HydrophobicContact CD1-CB 4.23Å; L104-H113 HydrophobicContact CD2-CB 3.64Å; Q109-H113 WeakPolarHBondContact O-CB 3.2Å; Q109-H113 PolarHBondContact O-N 3.39Å; A110-H113 WeakPolarHBondContact O-CA 3.48Å; A110-H113 WeakPolarHBondContact O-CB 3.38Å; A110-H113 PolarHBondContact O-N 3.47Å; Q111-H113 PolarHBondContact O-N 3.17Å; H113-N115 VanDerWaalsContact C-N 3.34Å; H113-N115 PolarHBondContact O-N 2.83Å; H113-G116 WeakPolarHBondContact O-CA 3.45Å; H113-G116 PolarHBondContact O-N 3Å; H113-H119 AromaticContact CD2-ND1 3.61Å; H113-H119 AromaticContact NE2-CG 3.82Å; H113-H119 AromaticContact NE2-ND1 3.15Å; H113-H119 PolarHBondContact NE2-ND1 3.39Å; H113-H119 VanDerWaalsContact NE2-ND1 3.15Å; H113-H119 WeakPolarHBondContact O-CB 3.11Å
114Y93.9Very high90.2Very high93 Ų9381.2 Ų81.237%0.36542%0.42SS..Hα-helixtrans-62.9-39.8-179.2-69.2-56.7000112.1C97 A110 Q111 G116 H119C97-Y114 HydrophobicContact CB-CE1 4.09Å; A110-Y114 HydrophobicContact CB-CD2 4.27Å; A110-Y114 HydrophobicContact CB-CE2 4.02Å; A110-Y114 WeakPolarHBondContact O-CD2 3.49Å; A110-Y114 PolarHBondContact O-N 3.45Å; Q111-Y114 PolarHBondContact O-N 3.01Å; Y114-G116 PolarHBondContact O-N 2.99Å; Y114-H119 AromaticContact CD1-CE1 3.6Å; Y114-H119 AromaticContact CD1-NE2 3.5Å; Y114-H119 WeakPolarHBondContact CD1-NE2 3.47Å; Y114-H119 AromaticContact CE1-CE1 3.85Å; Y114-H119 PolarHBondContact O-CD2 3.12Å
115N91.5Very high89.7Confident122 Ų12285.7 Ų85.765%0.65244%0.44SS*.THydrogen-bonded Turntrans-77.9-0.7174.5-62.5-9.8000113Q111 H113Q111-N115 VanDerWaalsContact O-CB 3.3Å; Q111-N115 WeakPolarHBondContact O-CB 3.3Å; Q111-N115 PolarHBondContact O-N 2.94Å; H113-N115 VanDerWaalsContact C-N 3.34Å; H113-N115 PolarHBondContact O-N 2.83Å
116G94.4Very high89.6Confident16 Ų1685 Ų8517%0.16544%0.436CS..SBendtrans-75.3130.8-17800000112.9I112 H113 Y114 S118 H119 Q120I112-G116 PolarHBondContact O-N 2.94Å; H113-G116 WeakPolarHBondContact O-CA 3.45Å; H113-G116 PolarHBondContact O-N 3Å; Y114-G116 PolarHBondContact O-N 2.99Å; G116-S118 PolarHBondContact O-N 3.29Å; G116-H119 WeakPolarHBondContact O-CB 3.5Å; G116-H119 PolarHBondContact O-N 3.28Å; G116-Q120 PolarHBondContact O-N 3.48Å
117K89.3Confident89.3Confident184 Ų18486.7 Ų86.780%0.845%0.448SS*.Hα-helixtrans-54.4-26179-61.8-175.3-179.8-176.60113.9K121K117-K121 VanDerWaalsContact O-CB 3.31Å; K117-K121 WeakPolarHBondContact O-CB 3.09Å; K117-K121 PolarHBondContact O-N 3.37Å; K117-K121 VanDerWaalsContact O-N 3.16Å
118S91.1Very high88.7Confident93 Ų9387.2 Ų87.265%0.6545%0.447SS*.Hα-helixtrans-73.7-43.7173.949.10000113.1G116 R122G116-S118 PolarHBondContact O-N 3.29Å; S118-R122 PolarHBondContact O-N 3.46Å
119H93.4Very high87.3Confident4 Ų488 Ų882%0.01946%0.46CS..Hα-helixtrans-66-50.3175177.487.1000110.5C97 C100 H113 Y114 G116 K121 R122 L123C97-H119 PolarHBondContact SG-CE1 3.15Å; C97-H119 PolarHBondContact SG-ND1 2.99Å; C97-H119 VanDerWaalsContact SG-ND1 3.37Å; C100-H119 PolarHBondContact SG-ND1 3.46Å; H113-H119 AromaticContact CD2-ND1 3.61Å; H113-H119 AromaticContact NE2-CG 3.82Å; H113-H119 AromaticContact NE2-ND1 3.15Å; H113-H119 PolarHBondContact NE2-ND1 3.39Å; H113-H119 VanDerWaalsContact NE2-ND1 3.15Å; H113-H119 WeakPolarHBondContact O-CB 3.11Å; Y114-H119 AromaticContact CD1-CE1 3.6Å; Y114-H119 AromaticContact CD1-NE2 3.5Å; Y114-H119 WeakPolarHBondContact CD1-NE2 3.47Å; Y114-H119 AromaticContact CE1-CE1 3.85Å; Y114-H119 PolarHBondContact O-CD2 3.12Å; G116-H119 WeakPolarHBondContact O-CB 3.5Å; G116-H119 PolarHBondContact O-N 3.28Å; H119-K121 VanDerWaalsContact C-N 3.28Å; H119-K121 PolarHBondContact O-N 2.84Å; H119-R122 WeakPolarHBondContact O-CA 3.46Å; H119-R122 PolarHBondContact O-N 3.3Å; H119-L123 VanDerWaalsContact NE2-CD1 3.26Å; H119-L123 WeakPolarHBondContact NE2-CD1 3.28Å; H119-L123 WeakPolarHBondContact NE2-CG 3.42Å; H119-L123 PolarHBondContact O-N 2.98Å
120Q91.6Very high85.5Confident88 Ų8891.8 Ų91.841%0.41148%0.475SS..Hα-helixtrans-57.1-37.6177.1-68.3179.2-13.500113G116 K124G116-Q120 PolarHBondContact O-N 3.48Å; Q120-K124 WeakPolarHBondContact O-CG 3.49Å; Q120-K124 PolarHBondContact O-N 2.82Å; Q120-K124 VanDerWaalsContact O-N 3.12Å
121K91.5Very high83.1Confident141 Ų14199.1 Ų99.161%0.61351%0.51SS*.Hα-helixtrans-68.3-37.2174.4-174.7165.7-176.2167.30112.4K117 H119 Q125K117-K121 VanDerWaalsContact O-CB 3.31Å; K117-K121 WeakPolarHBondContact O-CB 3.09Å; K117-K121 PolarHBondContact O-N 3.37Å; K117-K121 VanDerWaalsContact O-N 3.16Å; H119-K121 VanDerWaalsContact C-N 3.28Å; H119-K121 PolarHBondContact O-N 2.84Å; K121-Q125 WeakPolarHBondContact O-CG 3.41Å; K121-Q125 PolarHBondContact O-N 3.12Å
122R87Confident81Confident86 Ų8696.9 Ų96.933%0.32551%0.506SS..Hα-helixtrans-71.6-41.1176.9-166.2170.7-175.6178.3-2.1111.8V99 C100 S118 H119 Q125 I126 N134V99-R122 HydrophobicContact CG1-CB 4.24Å; V99-R122 HydrophobicContact CG1-CG 4.1Å; V99-R122 WeakPolarHBondContact O-CD 3.41Å; V99-R122 PolarHBondContact O-NE 3.34Å; C100-R122 PolarHBondContact O-NH1 3.11Å; S118-R122 PolarHBondContact O-N 3.46Å; H119-R122 WeakPolarHBondContact O-CA 3.46Å; H119-R122 PolarHBondContact O-N 3.3Å; R122-Q125 PolarHBondContact O-N 3.34Å; R122-I126 PolarHBondContact O-N 2.88Å; R122-I126 VanDerWaalsContact O-N 3.09Å; R122-N134 PolarHBondContact NH2-OD1 3.2Å
123L91.3Very high78.6Confident69 Ų6993.4 Ų93.436%0.36150%0.503SS..Hα-helixtrans-49.8-57.5169.4-87.6177.5000111.1V99 H119 Q125 I126 S127V99-L123 HydrophobicContact CG1-CD2 4.11Å; V99-L123 HydrophobicContact CG1-CG 4.17Å; V99-L123 HydrophobicContact CG2-CD2 3.71Å; H119-L123 VanDerWaalsContact NE2-CD1 3.26Å; H119-L123 WeakPolarHBondContact NE2-CD1 3.28Å; H119-L123 WeakPolarHBondContact NE2-CG 3.42Å; H119-L123 PolarHBondContact O-N 2.98Å; L123-Q125 PolarHBondContact O-N 3.49Å; L123-Q125 VanDerWaalsContact O-N 3.14Å; L123-I126 WeakPolarHBondContact O-CG1 3.24Å; L123-I126 PolarHBondContact O-N 3.05Å; L123-I126 VanDerWaalsContact O-N 3.09Å; L123-S127 PolarHBondContact O-N 3.45Å; L123-S127 PolarHBondContact O-OG 3.43Å
124K89.3Confident75.9Confident157 Ų15797.2 Ų97.268%0.68352%0.524SS*.Hα-helixtrans-62.8-22.5-177.3-70.3-176.8178.3-168.20113.9Q120 S127 S128Q120-K124 WeakPolarHBondContact O-CG 3.49Å; Q120-K124 PolarHBondContact O-N 2.82Å; Q120-K124 VanDerWaalsContact O-N 3.12Å; K124-S127 WeakPolarHBondContact CA-OG 3.32Å; K124-S127 PolarHBondContact O-OG 3.21Å; K124-S128 WeakPolarHBondContact O-CB 3.38Å; K124-S128 PolarHBondContact O-N 2.93Å; K124-S128 PolarHBondContact O-OG 3.29Å
125Q80.5Confident73Confident97 Ų9798.2 Ų98.245%0.45354%0.54SS..Hα-helixtrans-82.8-32.1175-74.3179.6-41.200113.5K121 R122 L123 S128K121-Q125 WeakPolarHBondContact O-CG 3.41Å; K121-Q125 PolarHBondContact O-N 3.12Å; R122-Q125 PolarHBondContact O-N 3.34Å; L123-Q125 PolarHBondContact O-N 3.49Å; L123-Q125 VanDerWaalsContact O-N 3.14Å; Q125-S128 PolarHBondContact O-OG 2.87Å
126I81.3Confident70.2Confident73 Ų7398.4 Ų98.437%0.37455%0.546SS..Hα-helixtrans-80.9-33.4174.363.2167.2000111.9V99 R122 L123 S128V99-I126 HydrophobicContact CB-CD1 4.43Å; V99-I126 HydrophobicContact CG1-CD1 3.93Å; V99-I126 HydrophobicContact CG2-CD1 4.06Å; R122-I126 PolarHBondContact O-N 2.88Å; R122-I126 VanDerWaalsContact O-N 3.09Å; L123-I126 WeakPolarHBondContact O-CG1 3.24Å; L123-I126 PolarHBondContact O-N 3.05Å; L123-I126 VanDerWaalsContact O-N 3.09Å; I126-S128 VanDerWaalsContact C-N 3.31Å; I126-S128 PolarHBondContact O-N 2.83Å
127S81.9Confident67.2Low97 Ų97102.1 Ų102.168%0.67857%0.569SS**Hα-helixtrans-72.3-22.1177.669.70000113.3L123 K124 G129L123-S127 PolarHBondContact O-N 3.45Å; L123-S127 PolarHBondContact O-OG 3.43Å; K124-S127 WeakPolarHBondContact CA-OG 3.32Å; K124-S127 PolarHBondContact O-OG 3.21Å; S127-G129 VanDerWaalsContact C-N 3.25Å; S127-G129 PolarHBondContact O-N 2.94Å
128S72.4Confident64.3Low81 Ų81100.5 Ų100.557%0.56657%0.569SS**THydrogen-bonded Turntrans-88.627.2178.378.40000113.6K124 Q125 I126 K130K124-S128 WeakPolarHBondContact O-CB 3.38Å; K124-S128 PolarHBondContact O-N 2.93Å; K124-S128 PolarHBondContact O-OG 3.29Å; Q125-S128 PolarHBondContact O-OG 2.87Å; I126-S128 VanDerWaalsContact C-N 3.31Å; I126-S128 PolarHBondContact O-N 2.83Å; S128-K130 PolarHBondContact O-N 3.38Å
129G59.3Low61.7Low65 Ų65107.5 Ų107.567%0.6758%0.581SS**THydrogen-bonded Turntrans64.1-1.1174.600000117.1S127 M131S127-G129 VanDerWaalsContact C-N 3.25Å; S127-G129 PolarHBondContact O-N 2.94Å; G129-M131 PolarHBondContact O-N 3.45Å
130K50.7Low58.7Low169 Ų169115.5 Ų115.574%0.73562%0.616SS**  trans-97.666.7-169.1-153.772.1170.4-175.30111.7S128 P132S128-K130 PolarHBondContact O-N 3.38Å; K130-P132 WeakPolarHBondContact O-CD 3.47Å; K130-P132 VanDerWaalsContact O-N 3.08Å
131M38.5Very low55.9Low163 Ų163115.5 Ų115.580%0.80362%0.622SS**  trans-45.5108.5-177-76.2-66.8-79.500113.4G129G129-M131 PolarHBondContact O-N 3.45Å
132P45.4Very low53Low78 Ų78118.4 Ų118.451%0.50664%0.638SS.*  trans-82.8119.6174-3.422.2000109.1K130 N134K130-P132 WeakPolarHBondContact O-CD 3.47Å; K130-P132 VanDerWaalsContact O-N 3.08Å; P132-N134 PolarHBondContact O-N 3.12Å
133G42Very low50.6Low60 Ų60124.3 Ų124.362%0.61967%0.666SS**  trans-51.4135.8165.600000109.9T135G133-T135 PolarHBondContact O-N 3.11Å
134N37.4Very low47.7Very low105 Ų105131.2 Ų131.256%0.56169%0.693SS**  trans-7662.5-157.5-162.612.3000114.4R122 P132 V136R122-N134 PolarHBondContact NH2-OD1 3.2Å; P132-N134 PolarHBondContact O-N 3.12Å; N134-V136 PolarHBondContact O-N 2.8Å
135T33.1Very low44.9Very low114 Ų114128.9 Ų128.970%0.69970%0.696SS**  trans-78.9101.9174.157.10000110.1G133 S137G133-T135 PolarHBondContact O-N 3.11Å; T135-S137 VanDerWaalsContact C-N 3.29Å; T135-S137 PolarHBondContact O-N 3.27Å
136V33.3Very low42.5Very low126 Ų126132.7 Ų132.776%0.76471%0.714SS**  trans-69.287.1173.6-1790000109.5N134 N138N134-V136 PolarHBondContact O-N 2.8Å; V136-N138 VanDerWaalsContact C-N 3.31Å; V136-N138 PolarHBondContact O-N 3.32Å
137S30.9Very low40Very low94 Ų94137.1 Ų137.166%0.65774%0.738SS**  trans-71.179.4179.5-73.30000111.9T135 R139T135-S137 VanDerWaalsContact C-N 3.29Å; T135-S137 PolarHBondContact O-N 3.27Å; S137-R139 VanDerWaalsContact C-N 3.32Å; S137-R139 PolarHBondContact O-N 3.01Å
138N29.3Very low37.3Very low151 Ų151142.4 Ų142.481%0.80774%0.744SS**  trans-69.584.2173.4-174.77.8000111.2V136 K140V136-N138 VanDerWaalsContact C-N 3.31Å; V136-N138 PolarHBondContact O-N 3.32Å; N138-K140 PolarHBondContact O-N 2.72Å
139R35.9Very low35.2Very low239 Ų239145.6 Ų145.690%0.90275%0.754SS**  trans-81.989.3178.6-77.3-168.6174.3-166.6-0.2112.4S137S137-R139 VanDerWaalsContact C-N 3.32Å; S137-R139 PolarHBondContact O-N 3.01Å
140K29.2Very low33.7Very low172 Ų172149.5 Ų149.575%0.74876%0.759SS**SBendtrans-138.799.7145.6-157.3169.6-175.5178.40112.5N138N138-K140 PolarHBondContact O-N 2.72Å
141T34.1Very low32.6Very low88 Ų88151.1 Ų151.154%0.5477%0.766SS.*  trans55.597.4157.654.50000119.2
142E30.7Very low32Very low202 Ų202147.4 Ų147.494%0.94476%0.756SS**  trans-159.9126140.4-116.8156.5-146.900109.8
143K35.8Very low31.2Very low211 Ų211151.6 Ų151.692%0.91777%0.769SS**  trans-170.981.8166.7-158.7-178.5-171.9-1710112.5
144K31.2Very low30.7Very low214 Ų214157 Ų15793%0.9378%0.778SS**  trans-161.676.7154.1-157.7179.4-177-1760113.6
145S30.6Very low30.1Very low107 Ų107157.4 Ų157.475%0.74879%0.789SS**  trans-156.8170.5158.355.30000107.7
146E29.6Very low29.9Very low178 Ų178155.3 Ų155.383%0.83279%0.79SS**  trans62.572175.5-54-62.18300116.1
147L28Very low29.6Very low165 Ų165156.4 Ų156.486%0.86479%0.792SS**  trans-138.888.4136.8-17986.8000108
148Y26.7Very low29.5Very low209 Ų209158.1 Ų158.182%0.8280%0.803SS**  trans-163.7134.5158.8-122.3-79.6000109.6
149L27.5Very low29.5Very low148 Ų148159.2 Ų159.278%0.77580%0.804SS**  trans59.9147.2-176.7-92.263.4000115.5
150L28.5Very low29.3Very low146 Ų146159.1 Ų159.176%0.76480%0.803SS**  cis-141.7153.6-17.5-145.9162.6000107.1
151K27.1Very low29.3Very low204 Ų204153.8 Ų153.889%0.88780%0.798SS**  trans-132.3115.2-173.9-178.2-175179.3-172.10109.8
152S26.3Very low29.1Very low84 Ų84154 Ų15459%0.58781%0.809SS**  trans-150.3123.4176.948.20000110.6
153E27.8Very low29.2Very low167 Ų167153 Ų15378%0.7880%0.804SS**  trans70.2139.8148.7-64.1163.3143.500119
154Q31.2Very low29.1Very low173 Ų173151.1 Ų151.181%0.80880%0.798SS**  cis-146.5170.4-10.1-139.7165.920.500111.5
155S26.5Very low29.1Very low113 Ų113147.8 Ų147.879%0.7980%0.796SS**  trans-87.4158.3-177.745.10000113.5
156G27.1Very low29Very low70 Ų70146.3 Ų146.372%0.72280%0.797SS**  trans-153.1136.3163.300000109.3
157D28.1Very low29Very low150 Ų150144.6 Ų144.680%0.80280%0.799SS**  trans-85.5151.4-159.3-58.9-91.6000115.8
158S29.4Very low29Very low129 Ų129142.4 Ų142.490%0.90280%0.797SS**  trans-167.5136.8133.3-850000112
159E28.8Very low29.1Very low175 Ų175136.4 Ų136.482%0.81879%0.791SS**  trans-97142.5179.6-48.6166.395.700112.5
160R31.6Very low29.5Very low236 Ų236139 Ų13989%0.89180%0.8SS**  trans-166.1160.1130.3-150.2132.5-72.6-128.7-1.1111.9
161G29.4Very low29.4Very low61 Ų61136.1 Ų136.163%0.62981%0.805SS**  trans-62.4166.6173.800000114.1
162A30.2Very low29.9Very low93 Ų93133.7 Ų133.777%0.76980%0.802SS**  55.8128.460.300000111.6
163Q32.9Very low31Very low181 Ų181135.1 Ų135.185%0.84681%0.809SS**  cis-115.116424.9-62.411118.400113.1
164H32.3Very low31.2Very low170 Ų170134.1 Ų134.179%0.78781%0.808SS**  cis80.1116.241.8-102.5-123.4000116
165T30.7Very low31.2Very low145 Ų145134 Ų13489%0.8981%0.812SS**  trans61.8155.6169.659.50000117.8
166G28.9Very low31.4Very low76 Ų76133.3 Ų133.378%0.78481%0.813SS**  cis-165.3174.40.400000113
167T30.4Very low31.7Very low142 Ų142135.4 Ų135.487%0.87182%0.816SS**  trans-82.2149.1-172.8480000115.7
168S27.5Very low31.9Very low118 Ų118136.2 Ų136.283%0.82582%0.82SS**  156.9167.9115.5-160.30000114
169A28.9Very low32.8Very low84 Ų84135.1 Ų135.169%0.69481%0.81SS**  trans55.7120171.600000117.6
170Q35.1Very low33.1Very low203 Ų203133 Ų13395%0.94981%0.809SS**  69.5120.660.9-69.8-162.2-4.200115.1
171G27.7Very low33.8Very low84 Ų84127.8 Ų127.887%0.86681%0.805SS**  trans152.690.8172.500000114.1
172N37.4Very low33.8Very low154 Ų154128.6 Ų128.682%0.82481%0.813SS**  trans-112.8143160.6-13413.8000105.5
173P49.5Very low34Very low113 Ų113135.7 Ų135.773%0.73482%0.82SS**  -153.416388.339.6-21.4000117.7
174L32.4Very low34.4Very low147 Ų147132.3 Ų132.377%0.7781%0.814SS**  trans6.9133.4143-50.2171.3000119.5
175L30.7Very low34.2Very low170 Ų170131.4 Ų131.489%0.8981%0.814SS**  177.7174.998.4-95.8179.1000113.8
176A30.7Very low34.6Very low98 Ų98131.1 Ų131.181%0.8180%0.803SS**  trans77.6123.7161.200000120.3
177S33.4Very low35.3Very low114 Ų114133 Ų13380%0.79780%0.801SS**  trans-124172.1163.4-59.80000108.8
178L32.3Very low35.6Very low168 Ų168132.3 Ų132.388%0.8879%0.788SS**  trans121.9149.7160.9-63.8180000116
179P47.1Very low35.9Very low106 Ų106135 Ų13569%0.68879%0.792SS**  trans-144.1-163.3-134.640-17.1000117.6
180V37Very low36.2Very low131 Ų131134.9 Ų134.979%0.79478%0.78SS**  trans78.4156.6161.8173.30000115.2
181P45.6Very low36.7Very low125 Ų125133.4 Ų133.481%0.81278%0.778SS**  cis-125.8177.9-324.1-0.2000117.3
182G29.6Very low37.5Very low78 Ų78136.3 Ų136.380%0.80477%0.766SS**  trans155.7136.8157.900000117.1
183R33.6Very low38Very low243 Ų243137.4 Ų137.492%0.91777%0.766SS**  trans-128.5169.7-179.6-105.1-172.9-178.4-162.92.8110.4
184P41Very low37.4Very low109 Ų109140 Ų14071%0.70877%0.773SS**  cis-150.416836.541.7-19.7000121.5
185L30Very low37.9Very low152 Ų152140 Ų14080%0.79677%0.773SS**  trans57.7107.3143.8-67.3165.9000125.2
186Q38.3Very low38.3Very low139 Ų139137.1 Ų137.165%0.6577%0.765SS**  41.5160.8110.8-74-76.2-88.300123.3Q188Q186-Q188 VanDerWaalsContact OE1-CB 3.27Å
187P43.1Very low38.3Very low114 Ų114141.5 Ų141.574%0.7477%0.765SS**  cis-111.3154.710.241-31000114.7
188Q37.2Very low38.5Very low128 Ų128146.7 Ų146.760%0.59877%0.768SS**  63.5104.564-101.7-66.22.200116.1Q186Q186-Q188 VanDerWaalsContact OE1-CB 3.27Å
189L34.4Very low38.9Very low176 Ų176147 Ų14792%0.92177%0.769SS**  trans-145146.7131.5-103.2-178.5000109.9
190D35.2Very low38.3Very low80 Ų80148.3 Ų148.343%0.42877%0.77SS.*  trans-90.3142.4-177.1170.140.9000111.9K192D190-K192 VanDerWaalsContact OD1-CD 3.25Å; D190-K192 WeakPolarHBondContact OD1-CD 3.31Å; D190-K192 WeakPolarHBondContact OD1-CE 3.45Å; D190-K192 IonicContact OD1-NZ 3.76Å; D190-K192 VanDerWaalsContact OD2-CE 3.24Å; D190-K192 WeakPolarHBondContact OD2-CE 3.47Å; D190-K192 IonicContact OD2-NZ 3.08Å; D190-K192 PolarHBondContact OD2-NZ 2.86Å
191L43.8Very low38.6Very low173 Ų173146.2 Ų146.291%0.90678%0.775SS**  trans-156.9108.9149.7-138.573.5000110.9
192K44.6Very low38.3Very low144 Ų144144.8 Ų144.863%0.62677%0.768SS**  trans-78.3160.1178-57.7107.6176.8172.80112.4D190D190-K192 VanDerWaalsContact OD1-CD 3.25Å; D190-K192 WeakPolarHBondContact OD1-CD 3.31Å; D190-K192 WeakPolarHBondContact OD1-CE 3.45Å; D190-K192 IonicContact OD1-NZ 3.76Å; D190-K192 VanDerWaalsContact OD2-CE 3.24Å; D190-K192 WeakPolarHBondContact OD2-CE 3.47Å; D190-K192 IonicContact OD2-NZ 3.08Å; D190-K192 PolarHBondContact OD2-NZ 2.86Å
193H48.9Very low39.1Very low178 Ų178144.6 Ų144.682%0.82476%0.755SS**  trans59.376.6162.2-53.5-65.4000117.8
194L37.6Very low39.9Very low168 Ų168137.7 Ų137.788%0.8874%0.742SS**  trans-108.7122.2141.6-72.1176000109.2
195L41.2Very low40.4Very low147 Ų147136 Ų13677%0.7773%0.726SS**  trans-68.5149.2-176-72.3163.2000111.2F197L195-F197 PolarHBondContact O-N 3.01Å
196P39.7Very low41.4Very low109 Ų109133 Ų13371%0.70872%0.718SS**  trans-59.9109.3164.7-1931.4000109.1R198P196-R198 PolarHBondContact O-N 2.81Å
197F30.6Very low42.4Very low189 Ų189133.1 Ų133.183%0.82972%0.722SS**  trans-55.7108.9178.5-83.1-83.7000109.8L195 L199L195-F197 PolarHBondContact O-N 3.01Å; F197-L199 VanDerWaalsContact C-N 3.31Å; F197-L199 PolarHBondContact O-N 2.87Å
198R37.5Very low42.6Very low224 Ų224132 Ų13285%0.84571%0.706SS**  trans-71.391175.2-71.6-71.9177.6169.7-2.3108.3P196 N200P196-R198 PolarHBondContact O-N 2.81Å; R198-N200 PolarHBondContact O-N 3.04Å
199L41.5Very low43.5Very low173 Ų173131.5 Ų131.591%0.90671%0.713SS**  trans-65.361.3163.5-84162.7000110.6F197F197-L199 VanDerWaalsContact C-N 3.31Å; F197-L199 PolarHBondContact O-N 2.87Å
200N34.9Very low44.5Very low134 Ų134128.7 Ų128.772%0.71770%0.699SS**  trans-66.2136.7161.2-115.826000107.4R198 S202R198-N200 PolarHBondContact O-N 3.04Å; N200-S202 PolarHBondContact O-N 2.91Å
201G42.6Very low45.7Very low87 Ų87126.3 Ų126.390%0.89769%0.685SS**  trans-7553.2-16700000116.2
202S39.3Very low46.6Very low95 Ų95125.3 Ų125.366%0.66468%0.681SS**  trans-82.6131165.5470000110.7N200N200-S202 PolarHBondContact O-N 2.91Å
203S46Very low47.7Very low74 Ų74123.9 Ų123.952%0.51768%0.684SS.*  trans-56154.6179.1-53.10000113L205 S206S203-L205 PolarHBondContact O-N 2.78Å; S203-S206 PolarHBondContact O-N 3.41Å
204P50.5Low48.7Very low99 Ų99117.7 Ų117.764%0.64366%0.656SS**G310 helixtrans-64.87177.928.3-37.2000115.4S206P204-S206 PolarHBondContact O-N 3.23Å
205L52.4Low50.4Low74 Ų74113.6 Ų113.639%0.38764%0.635SS.*G310 helixtrans-76.1-4.3175.5-57.9176.3000113S203 L207 F211S203-L205 PolarHBondContact O-N 2.78Å; L205-L207 VanDerWaalsContact C-N 3.25Å; L205-L207 PolarHBondContact O-N 3.47Å; L205-F211 HydrophobicContact CD1-CE1 4.42Å; L205-F211 HydrophobicContact CD2-CE1 4.35Å
206S51.2Low52.2Low89 Ų89111.4 Ų111.462%0.62263%0.63SS**G310 helixtrans-77-3.2178.155.40000114.7S203 P204 F208S203-S206 PolarHBondContact O-N 3.41Å; P204-S206 PolarHBondContact O-N 3.23Å; S206-F208 PolarHBondContact O-N 2.68Å
207L57.4Low53.5Low141 Ų141110.9 Ų110.974%0.73862%0.624SS**G310 helixtrans-71.7-15.1174.4-67.2175.5000113.4L205L205-L207 VanDerWaalsContact C-N 3.25Å; L205-L207 PolarHBondContact O-N 3.47Å
208F48.9Very low55.4Low91 Ų91106.6 Ų106.640%0.39961%0.607SS.*SBendtrans-116.4105.3174.7-63-72.3000110.2S206 N210 F211 I222S206-F208 PolarHBondContact O-N 2.68Å; F208-N210 PolarHBondContact O-N 3.34Å; F208-F211 HydrophobicContact CB-CB 4.34Å; F208-F211 PolarHBondContact O-N 3.32Å; F208-I222 HydrophobicContact CE2-CG2 4.4Å
209P55.5Low57.2Low116 Ų11698 Ų9875%0.75358%0.576SS**THydrogen-bonded Turntrans-49.6136.7160.6-23.234000109.1F211P209-F211 PolarHBondContact O-N 3.03Å
210N55.6Low58.7Low117 Ų11792.5 Ų92.563%0.62656%0.555SS**THydrogen-bonded Turntrans67.720.2179.1-62.9-23.8000118.3F208 N212 T213 M214F208-N210 PolarHBondContact O-N 3.34Å; N210-N212 PolarHBondContact O-N 3.36Å; N210-T213 PolarHBondContact O-N 2.79Å; N210-T213 PolarHBondContact O-OG1 2.97Å; N210-M214 PolarHBondContact O-N 2.95Å
211F61Low60.7Low31 Ų3190.1 Ų90.114%0.13655%0.546CS..THydrogen-bonded Turntrans-54.1-20.7170.9-166.8-100.1000114.4L205 F208 P209 M214 K219 I222L205-F211 HydrophobicContact CD1-CE1 4.42Å; L205-F211 HydrophobicContact CD2-CE1 4.35Å; F208-F211 HydrophobicContact CB-CB 4.34Å; F208-F211 PolarHBondContact O-N 3.32Å; P209-F211 PolarHBondContact O-N 3.03Å; F211-M214 HydrophobicContact CD2-SD 3.93Å; F211-K219 HydrophobicContact CE1-CD 4.31Å; F211-K219 HydrophobicContact CE1-CG 4.48Å; F211-K219 HydrophobicContact CE2-CG 4.25Å; F211-K219 HydrophobicContact CZ-CB 4.16Å; F211-K219 HydrophobicContact CZ-CD 4.4Å; F211-K219 HydrophobicContact CZ-CG 4.09Å; F211-K219 VanDerWaalsContact O-CE 3.24Å; F211-K219 WeakPolarHBondContact O-CE 3.48Å; F211-K219 PolarHBondContact O-NZ 3.03Å; F211-I222 HydrophobicContact CE2-CB 4.41Å; F211-I222 HydrophobicContact CE2-CD1 4.33Å; F211-I222 HydrophobicContact CE2-CG2 4.01Å
212N60.8Low62.2Low152 Ų15287.5 Ų87.581%0.81351%0.51SS*.THydrogen-bonded Turntrans-72.2-32.3172-96.6-14.2000114.1N210 K219N210-N212 PolarHBondContact O-N 3.36Å; N212-K219 VanDerWaalsContact C-NZ 3.29Å; N212-K219 PolarHBondContact O-NZ 2.88Å
213T67.8Low63.6Low113 Ų11387 Ų8769%0.69350%0.5SS*.THydrogen-bonded Turntrans-98.5-4.1-175.967.30000114.4N210N210-T213 PolarHBondContact O-N 2.79Å; N210-T213 PolarHBondContact O-OG1 2.97Å
214M70.1Confident64.5Low49 Ų4991.3 Ų91.324%0.24151%0.512CS..SBendtrans-62.7155.5174.5-60.6-175.577.500112.3N210 F211 Q218 K219 I222N210-M214 PolarHBondContact O-N 2.95Å; F211-M214 HydrophobicContact CD2-SD 3.93Å; M214-Q218 HydrophobicContact CE-CB 3.99Å; M214-K219 HydrophobicContact CB-CG 4.11Å; M214-K219 WeakPolarHBondContact O-CE 3.23Å; M214-I222 HydrophobicContact CE-CD1 3.66Å; M214-I222 HydrophobicContact SD-CD1 4.06Å
215D74.9Confident65.6Low82 Ų8291.2 Ų91.244%0.43951%0.51SS..  trans-60.1135.3173.5-176.2-34.8000110.7V217 Q218 K219D215-V217 PolarHBondContact O-N 3.49Å; D215-V217 VanDerWaalsContact O-N 3.12Å; D215-V217 WeakPolarHBondContact OD1-CB 3.47Å; D215-V217 WeakPolarHBondContact OD1-CG2 3.47Å; D215-V217 PolarHBondContact OD1-N 3.37Å; D215-Q218 HydrophobicContact CB-CB 4.32Å; D215-Q218 HydrophobicContact CB-CG 4.06Å; D215-Q218 WeakPolarHBondContact O-CB 3.22Å; D215-Q218 PolarHBondContact O-N 2.93Å; D215-K219 WeakPolarHBondContact O-CG 3.41Å; D215-K219 PolarHBondContact O-N 2.94Å
216P77.2Confident66.4Low101 Ų10194 Ų9466%0.65652%0.519SS*.Hα-helixtrans-50.1-31.3172.421-33.8000114.6K219 A220P216-K219 PolarHBondContact O-N 3.4Å; P216-A220 WeakPolarHBondContact O-CB 3.46Å; P216-A220 PolarHBondContact O-N 3.48Å
217V68.9Low66.9Low97 Ų9792.5 Ų92.559%0.58852%0.518SS*.Hα-helixtrans-65.1-47.2173-179.50000110.9D215 K219 A220 V221D215-V217 PolarHBondContact O-N 3.49Å; D215-V217 VanDerWaalsContact O-N 3.12Å; D215-V217 WeakPolarHBondContact OD1-CB 3.47Å; D215-V217 WeakPolarHBondContact OD1-CG2 3.47Å; D215-V217 PolarHBondContact OD1-N 3.37Å; V217-K219 VanDerWaalsContact C-N 3.32Å; V217-K219 PolarHBondContact O-N 2.75Å; V217-A220 WeakPolarHBondContact O-CB 3.33Å; V217-A220 PolarHBondContact O-N 3.15Å; V217-A220 VanDerWaalsContact O-N 3.15Å; V217-V221 WeakPolarHBondContact O-CG2 2.82Å; V217-V221 PolarHBondContact O-N 3.44Å
218Q69.8Low66.8Low100 Ų10088.9 Ų88.947%0.46750%0.501SS..Hα-helixtrans-63.1-38.9175.4-67.4177.1-25.500111.6M214 D215 A220 V221 I222M214-Q218 HydrophobicContact CE-CB 3.99Å; D215-Q218 HydrophobicContact CB-CB 4.32Å; D215-Q218 HydrophobicContact CB-CG 4.06Å; D215-Q218 WeakPolarHBondContact O-CB 3.22Å; D215-Q218 PolarHBondContact O-N 2.93Å; Q218-A220 VanDerWaalsContact C-N 3.33Å; Q218-A220 PolarHBondContact O-N 2.95Å; Q218-V221 PolarHBondContact O-N 3.43Å; Q218-I222 WeakPolarHBondContact O-CB 3.47Å; Q218-I222 WeakPolarHBondContact O-CG1 3.37Å; Q218-I222 PolarHBondContact O-N 3.12Å
219K75.7Confident66.9Low43 Ų4390 Ų9019%0.18752%0.517CS..Hα-helixtrans-63.8-38.2173.7-59.4-172.5-151.1-153.30111.9F211 N212 M214 D215 P216 V217 N223F211-K219 HydrophobicContact CE1-CD 4.31Å; F211-K219 HydrophobicContact CE1-CG 4.48Å; F211-K219 HydrophobicContact CE2-CG 4.25Å; F211-K219 HydrophobicContact CZ-CB 4.16Å; F211-K219 HydrophobicContact CZ-CD 4.4Å; F211-K219 HydrophobicContact CZ-CG 4.09Å; F211-K219 VanDerWaalsContact O-CE 3.24Å; F211-K219 WeakPolarHBondContact O-CE 3.48Å; F211-K219 PolarHBondContact O-NZ 3.03Å; N212-K219 VanDerWaalsContact C-NZ 3.29Å; N212-K219 PolarHBondContact O-NZ 2.88Å; M214-K219 HydrophobicContact CB-CG 4.11Å; M214-K219 WeakPolarHBondContact O-CE 3.23Å; D215-K219 WeakPolarHBondContact O-CG 3.41Å; D215-K219 PolarHBondContact O-N 2.94Å; P216-K219 PolarHBondContact O-N 3.4Å; V217-K219 VanDerWaalsContact C-N 3.32Å; V217-K219 PolarHBondContact O-N 2.75Å; K219-N223 VanDerWaalsContact O-CB 3.31Å; K219-N223 WeakPolarHBondContact O-CB 3.33Å; K219-N223 PolarHBondContact O-N 2.97Å; K219-N223 PolarHBondContact O-ND2 3.46Å
220A72.1Confident66.9Low58 Ų5891 Ų9148%0.47951%0.512SS..Hα-helixtrans-64.6-45.5175.400000111.6P216 V217 Q218 N223 H224P216-A220 WeakPolarHBondContact O-CB 3.46Å; P216-A220 PolarHBondContact O-N 3.48Å; V217-A220 WeakPolarHBondContact O-CB 3.33Å; V217-A220 PolarHBondContact O-N 3.15Å; V217-A220 VanDerWaalsContact O-N 3.15Å; Q218-A220 VanDerWaalsContact C-N 3.33Å; Q218-A220 PolarHBondContact O-N 2.95Å; A220-N223 PolarHBondContact O-N 2.99Å; A220-H224 VanDerWaalsContact O-CB 3.32Å; A220-H224 WeakPolarHBondContact O-CB 3.46Å; A220-H224 PolarHBondContact O-N 2.77Å
221V77.4Confident66.7Low84 Ų8490.2 Ų90.251%0.50951%0.513SS..Hα-helixtrans-61.5-45.8175.8173.40000111.4V217 Q218 N223 H224 T225V217-V221 WeakPolarHBondContact O-CG2 2.82Å; V217-V221 PolarHBondContact O-N 3.44Å; Q218-V221 PolarHBondContact O-N 3.43Å; V221-N223 PolarHBondContact O-N 3.04Å; V221-H224 PolarHBondContact O-N 3.01Å; V221-T225 WeakPolarHBondContact O-CB 3.15Å; V221-T225 PolarHBondContact O-N 3.32Å; V221-T225 PolarHBondContact O-OG1 3Å; V221-T225 VanDerWaalsContact O-OG1 3.12Å
222I74.7Confident66.4Low31 Ų3196.8 Ų96.816%0.15955%0.549CS..Hα-helixtrans-63.5-43.3177.7-69.7168.4000111.1F208 F211 M214 Q218 H224 F226F208-I222 HydrophobicContact CE2-CG2 4.4Å; F211-I222 HydrophobicContact CE2-CB 4.41Å; F211-I222 HydrophobicContact CE2-CD1 4.33Å; F211-I222 HydrophobicContact CE2-CG2 4.01Å; M214-I222 HydrophobicContact CE-CD1 3.66Å; M214-I222 HydrophobicContact SD-CD1 4.06Å; Q218-I222 WeakPolarHBondContact O-CB 3.47Å; Q218-I222 WeakPolarHBondContact O-CG1 3.37Å; Q218-I222 PolarHBondContact O-N 3.12Å; I222-H224 VanDerWaalsContact C-N 3.3Å; I222-H224 PolarHBondContact O-N 3.39Å; I222-F226 HydrophobicContact CG2-CD2 3.94Å; I222-F226 WeakPolarHBondContact O-CB 3.18Å; I222-F226 WeakPolarHBondContact O-CD2 3.47Å; I222-F226 PolarHBondContact O-N 2.93Å
223N66.9Low66Low85 Ų8597.3 Ų97.346%0.45554%0.543SS..Hα-helixtrans-63.3-35.3175.9-74.1-32.1000112.7K219 A220 V221 G227K219-N223 VanDerWaalsContact O-CB 3.31Å; K219-N223 WeakPolarHBondContact O-CB 3.33Å; K219-N223 PolarHBondContact O-N 2.97Å; K219-N223 PolarHBondContact O-ND2 3.46Å; A220-N223 PolarHBondContact O-N 2.99Å; V221-N223 PolarHBondContact O-N 3.04Å; N223-G227 PolarHBondContact O-N 3.49Å
224H65.8Low65.6Low165 Ų165101.4 Ų101.476%0.76455%0.552SS**Hα-helixtrans-73.4-46.9178.7-173.8-89.9000111.9A220 V221 I222A220-H224 VanDerWaalsContact O-CB 3.32Å; A220-H224 WeakPolarHBondContact O-CB 3.46Å; A220-H224 PolarHBondContact O-N 2.77Å; V221-H224 PolarHBondContact O-N 3.01Å; I222-H224 VanDerWaalsContact C-N 3.3Å; I222-H224 PolarHBondContact O-N 3.39Å
225T73.1Confident65.3Low97 Ų97105.8 Ų105.860%0.59557%0.569SS**Hα-helixtrans-74-37.6-176.1-59.90000113.1V221V221-T225 WeakPolarHBondContact O-CB 3.15Å; V221-T225 PolarHBondContact O-N 3.32Å; V221-T225 PolarHBondContact O-OG1 3Å; V221-T225 VanDerWaalsContact O-OG1 3.12Å
226F69.4Low64.8Low133 Ų133109.4 Ų109.458%0.58358%0.584SS**SBendtrans-94.13.3-177.9-68.3-80.2000114.4I222 V228I222-F226 HydrophobicContact CG2-CD2 3.94Å; I222-F226 WeakPolarHBondContact O-CB 3.18Å; I222-F226 WeakPolarHBondContact O-CD2 3.47Å; I222-F226 PolarHBondContact O-N 2.93Å; F226-V228 PolarHBondContact O-N 2.86Å
227G63Low64.8Low57 Ų57108.6 Ų108.659%0.58857%0.573SS**  trans54.730.3162.800000116N223 P229N223-G227 PolarHBondContact O-N 3.49Å; G227-P229 WeakPolarHBondContact O-CD 3.35Å; G227-P229 VanDerWaalsContact O-N 3.12Å
228V55.2Low65.8Low65 Ų65106.1 Ų106.139%0.39456%0.556SS.*  trans-58117-168.8179.70000110.5F226 H230F226-V228 PolarHBondContact O-N 2.86Å; V228-H230 PolarHBondContact O-N 3.32Å
229P49.8Very low67Low114 Ų114104 Ų10474%0.7455%0.552SS**  trans-63.4115.9179.124.9-32.9000108.9G227 P231G227-P229 WeakPolarHBondContact O-CD 3.35Å; G227-P229 VanDerWaalsContact O-N 3.12Å; P229-P231 WeakPolarHBondContact O-CD 3.48Å
230H55.6Low67.9Low138 Ų138101.9 Ų101.964%0.63954%0.543SS*.  trans-52.9112.6-170.8-15192.9000109.6V228 L232 K233V228-H230 PolarHBondContact O-N 3.32Å; H230-L232 PolarHBondContact O-N 3.47Å; H230-K233 WeakPolarHBondContact NE2-CE 3.4Å; H230-K233 PolarHBondContact NE2-NZ 3.46Å
231P51.8Low68.8Low99 Ų99105.2 Ų105.264%0.64355%0.553SS**  trans-61116.5-164.520.7-32.5000109.6P229 K233P229-P231 WeakPolarHBondContact O-CD 3.48Å; P231-K233 WeakPolarHBondContact O-CA 3.23Å; P231-K233 PolarHBondContact O-N 3.31Å
232L54Low69.5Low170 Ų170103.9 Ų103.989%0.8954%0.542SS*.  trans-51.5105.3-167.3-69.9176.7000110.1H230 K234H230-L232 PolarHBondContact O-N 3.47Å; L232-K234 PolarHBondContact O-N 2.95Å
233K52.6Low70.3Confident162 Ų162103.5 Ų103.570%0.70454%0.542SS*.  trans-57.4101.4-161.5-68.5-178.1-179.6173.50110.1H230 P231 K235H230-K233 WeakPolarHBondContact NE2-CE 3.4Å; H230-K233 PolarHBondContact NE2-NZ 3.46Å; P231-K233 WeakPolarHBondContact O-CA 3.23Å; P231-K233 PolarHBondContact O-N 3.31Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.03Å
234K59.2Low71.4Confident200 Ų200106.3 Ų106.387%0.8755%0.552SS**  trans-60.594.9-178.7-172.9175.5-174.71750108L232 Q236L232-K234 PolarHBondContact O-N 2.95Å; K234-Q236 PolarHBondContact O-N 3.47Å
235K63.5Low72.7Confident140 Ų140102.3 Ų102.361%0.60954%0.536SS*.  trans-47.8109.6-163.7-61-175.7-179.9-179.20110.3K233 I237 N248K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.03Å; K235-I237 WeakPolarHBondContact O-CG1 3.44Å; K235-I237 PolarHBondContact O-N 2.88Å; K235-N248 WeakPolarHBondContact CD-OD1 3.38Å; K235-N248 PolarHBondContact NZ-OD1 2.9Å
236Q66.1Low73.7Confident159 Ų159105.8 Ų105.874%0.74354%0.538SS*.  trans-65.1110.9-176.1-69.9-173.1-4.300108.9K234 I238K234-Q236 PolarHBondContact O-N 3.47Å; Q236-I238 VanDerWaalsContact C-N 3.3Å; Q236-I238 PolarHBondContact O-N 3.24Å
237I77Confident74.9Confident83 Ų83100.5 Ų100.543%0.42652%0.515SS..  trans-80.782-175.3-54.1-178000108.7K235 S239 R246 F247K235-I237 WeakPolarHBondContact O-CG1 3.44Å; K235-I237 PolarHBondContact O-N 2.88Å; I237-S239 PolarHBondContact O-N 2.83Å; I237-R246 HydrophobicContact CG2-CB 3.87Å; I237-F247 WeakPolarHBondContact CA-O 3.41Å; I237-F247 WeakPolarHBondContact CG2-O 3.26Å
238I89.6Confident76.2Confident45 Ų45101.8 Ų101.823%0.23151%0.508CS..  trans-66.6121.9179.7-64.7157.4000108.9Q236 F247 T250 A253 Y257Q236-I238 VanDerWaalsContact C-N 3.3Å; Q236-I238 PolarHBondContact O-N 3.24Å; I238-F247 PolarHBondContact N-O 3.08Å; I238-F247 PolarHBondContact O-N 3.26Å; I238-T250 HydrophobicContact CD1-CG2 3.81Å; I238-A253 HydrophobicContact CB-CB 3.98Å; I238-A253 HydrophobicContact CG2-CB 3.52Å; I238-Y257 HydrophobicContact CG2-CE2 4.38Å
239S93.9Very high77.9Confident55 Ų55100.8 Ų100.839%0.38550%0.504SS..EExtended strand (participates in β ladder)trans-111.9134.1-178.1560000112.2I237 L245 Y257I237-S239 PolarHBondContact O-N 2.83Å; S239-L245 CarbonylContact C-O 3.57Å; S239-L245 WeakPolarHBondContact CA-O 3.27Å; S239-Y257 PolarHBondContact O-OH 3.41Å
240C95Very high80Confident0 Ų098.5 Ų98.50%049%0.488CS..EExtended strand (participates in β ladder)trans-88.6107.1175.1177.50000110.6I242 C243 H244 L245 F247 H256 Y257 H262C240-I242 VanDerWaalsContact C-N 3.3Å; C240-I242 PolarHBondContact O-N 3.33Å; C240-C243 PolarHBondContact O-N 2.84Å; C240-H244 VanDerWaalsContact O-CA 3.27Å; C240-H244 WeakPolarHBondContact O-CA 3.36Å; C240-H244 PolarHBondContact O-N 2.89Å; C240-L245 PolarHBondContact N-O 3.31Å; C240-F247 HydrophobicContact CB-CE2 4.17Å; C240-H256 PolarHBondContact SG-NE2 2.95Å; C240-H256 VanDerWaalsContact SG-NE2 3.35Å; C240-Y257 WeakPolarHBondContact CA-OH 3.36Å; C240-Y257 HydrophobicContact CB-CE1 4Å; C240-H262 PolarHBondContact SG-CE1 2.75Å; C240-H262 PolarHBondContact SG-ND1 3.31Å
241N91.8Very high81.8Confident127 Ų12797.6 Ų97.668%0.67949%0.488SS*.THydrogen-bonded Turntrans-65.1-30-177.3-66.6-15.1000113.6H244N241-H244 PolarHBondContact O-CE1 3.32Å; N241-H244 PolarHBondContact O-ND1 3.26Å
242I92.6Very high83.8Confident56 Ų5698 Ų9829%0.28748%0.481SS..THydrogen-bonded Turntrans-71.7-39178.9-67.4145.3000111.2C240 K265 L266C240-I242 VanDerWaalsContact C-N 3.3Å; C240-I242 PolarHBondContact O-N 3.33Å; I242-K265 HydrophobicContact CG2-CB 4.1Å; I242-K265 HydrophobicContact CG2-CD 4.18Å; I242-K265 HydrophobicContact CG2-CG 4.02Å; I242-K265 VanDerWaalsContact O-CD 3.24Å; I242-K265 WeakPolarHBondContact O-CD 3.28Å; I242-K265 WeakPolarHBondContact O-CE 3.49Å; I242-K265 PolarHBondContact O-NZ 2.87Å; I242-L266 HydrophobicContact CD1-CD2 3.49Å; I242-L266 VanDerWaalsContact CD1-CD2 3.49Å; I242-L266 HydrophobicContact CD1-CG 4.11Å; I242-L266 HydrophobicContact CG1-CD2 4.39Å
243C91.1Very high85.7Confident23 Ų2390 Ų9016%0.15544%0.44CS..THydrogen-bonded Turntrans-101.8-14.8-176.1-66.10000114.4C240 L245 H256C240-C243 PolarHBondContact O-N 2.84Å; C243-L245 VanDerWaalsContact C-N 3.27Å; C243-L245 HydrophobicContact CB-CD1 3.68Å; C243-L245 PolarHBondContact O-N 2.76Å; C243-H256 WeakPolarHBondContact CB-NE2 3.42Å; C243-H256 PolarHBondContact SG-NE2 3.07Å; C243-H256 VanDerWaalsContact SG-NE2 3.38Å
244H90.5Very high87.6Confident145 Ų14586.8 Ų86.867%0.67143%0.427SS*.THydrogen-bonded Turntrans58.929.1-171.3-43.2-68.6000114.6C240 N241C240-H244 VanDerWaalsContact O-CA 3.27Å; C240-H244 WeakPolarHBondContact O-CA 3.36Å; C240-H244 PolarHBondContact O-N 2.89Å; N241-H244 PolarHBondContact O-CE1 3.32Å; N241-H244 PolarHBondContact O-ND1 3.26Å
245L92.4Very high89.3Confident80 Ų8080.6 Ų80.642%0.41941%0.413SS..EExtended strand (participates in β ladder)trans-88.7144168.1-80.183.7000110.4S239 C240 C243 F247S239-L245 CarbonylContact C-O 3.57Å; S239-L245 WeakPolarHBondContact CA-O 3.27Å; C240-L245 PolarHBondContact N-O 3.31Å; C243-L245 VanDerWaalsContact C-N 3.27Å; C243-L245 HydrophobicContact CB-CD1 3.68Å; C243-L245 PolarHBondContact O-N 2.76Å; L245-F247 HydrophobicContact CB-CE1 4.2Å; L245-F247 HydrophobicContact CB-CE2 3.67Å; L245-F247 HydrophobicContact CB-CZ 3.43Å; L245-F247 VanDerWaalsContact CB-CZ 3.43Å; L245-F247 HydrophobicContact CD2-CE1 3.97Å; L245-F247 HydrophobicContact CD2-CZ 3.69Å; L245-F247 HydrophobicContact CG-CZ 4.19Å
246R93.6Very high90.9Very high170 Ų17075.1 Ų75.164%0.64239%0.39SS*.EExtended strand (participates in β ladder)trans-114.4127.8173.1-61.9179.671-165.63.7108.5I237I237-R246 HydrophobicContact CG2-CB 3.87Å
247F94.4Very high92.3Very high23 Ų2371.9 Ų71.910%0.10137%0.371CS..  trans-110.3145.9-176.6-59.8-76.5000111.1I237 I238 C240 L245 Q252 A253 H256I237-F247 WeakPolarHBondContact CA-O 3.41Å; I237-F247 WeakPolarHBondContact CG2-O 3.26Å; I238-F247 PolarHBondContact N-O 3.08Å; I238-F247 PolarHBondContact O-N 3.26Å; C240-F247 HydrophobicContact CB-CE2 4.17Å; L245-F247 HydrophobicContact CB-CE1 4.2Å; L245-F247 HydrophobicContact CB-CE2 3.67Å; L245-F247 HydrophobicContact CB-CZ 3.43Å; L245-F247 VanDerWaalsContact CB-CZ 3.43Å; L245-F247 HydrophobicContact CD2-CE1 3.97Å; L245-F247 HydrophobicContact CD2-CZ 3.69Å; L245-F247 HydrophobicContact CG-CZ 4.19Å; F247-Q252 HydrophobicContact CB-CB 4.19Å; F247-Q252 HydrophobicContact CD1-CB 3.88Å; F247-Q252 HydrophobicContact CG-CB 4.3Å; F247-A253 HydrophobicContact CB-CB 4.1Å; F247-A253 HydrophobicContact CD2-CB 3.77Å; F247-A253 HydrophobicContact CG-CB 4.1Å; F247-H256 HydrophobicContact CE1-CB 4.03Å; F247-H256 HydrophobicContact CE2-CB 3.76Å; F247-H256 AromaticContact CE2-CD2 3.84Å; F247-H256 AromaticContact CE2-CG 3.7Å; F247-H256 HydrophobicContact CZ-CB 3.37Å; F247-H256 AromaticContact CZ-CD2 3.9Å; F247-H256 AromaticContact CZ-CG 3.33Å; F247-H256 AromaticContact CZ-ND1 3.64Å
248N91.3Very high93.2Very high83 Ų8376.7 Ų76.744%0.44439%0.389SS..SBendtrans-90.6-0.5179.3-163.7-118.5000113.2K235K235-N248 WeakPolarHBondContact CD-OD1 3.38Å; K235-N248 PolarHBondContact NZ-OD1 2.9Å
249S91.4Very high93.5Very high44 Ų4475.5 Ų75.531%0.30839%0.388SS..SBendtrans-152.2141.1-174164.80000110.1N251 Q252 A253S249-N251 PolarHBondContact O-N 3.22Å; S249-Q252 PolarHBondContact O-N 3.31Å; S249-A253 PolarHBondContact O-N 2.82Å
250T92.3Very high93.6Very high66 Ų6679.9 Ų79.941%0.40540%0.402SS..Hα-helixtrans-56.1-48.4177.8-42.90000111.9I238 Q252 A253 E254I238-T250 HydrophobicContact CD1-CG2 3.81Å; T250-Q252 PolarHBondContact O-N 3.24Å; T250-A253 CarbonylContact O-C 3.58Å; T250-A253 WeakPolarHBondContact O-CA 3.39Å; T250-A253 WeakPolarHBondContact O-CB 3.39Å; T250-A253 PolarHBondContact O-N 3.21Å; T250-E254 WeakPolarHBondContact CG2-OE1 3.42Å; T250-E254 PolarHBondContact O-N 3.4Å
251N95Very high93.5Very high120 Ų12088.5 Ų88.564%0.64244%0.44SS*.Hα-helixtrans-59.5-33-179.1-5350.2000112.1S249 A255S249-N251 PolarHBondContact O-N 3.22Å; N251-A255 VanDerWaalsContact O-CB 3.24Å; N251-A255 WeakPolarHBondContact O-CB 3.01Å; N251-A255 PolarHBondContact O-N 2.81Å
252Q91.9Very high93.7Very high107 Ų10782.8 Ų82.850%0.541%0.409SS..Hα-helixtrans-71.6-36.6174.3-65-178.722.700112.3F247 S249 T250 H256F247-Q252 HydrophobicContact CB-CB 4.19Å; F247-Q252 HydrophobicContact CD1-CB 3.88Å; F247-Q252 HydrophobicContact CG-CB 4.3Å; S249-Q252 PolarHBondContact O-N 3.31Å; T250-Q252 PolarHBondContact O-N 3.24Å; Q252-H256 WeakPolarHBondContact O-CB 3.49Å; Q252-H256 PolarHBondContact O-N 2.88Å
253A94.1Very high93.8Very high2 Ų281.6 Ų81.62%0.01741%0.407CS..Hα-helixtrans-67.8-43.9173.800000111.3I238 F247 S249 T250 H256 Y257I238-A253 HydrophobicContact CB-CB 3.98Å; I238-A253 HydrophobicContact CG2-CB 3.52Å; F247-A253 HydrophobicContact CB-CB 4.1Å; F247-A253 HydrophobicContact CD2-CB 3.77Å; F247-A253 HydrophobicContact CG-CB 4.1Å; S249-A253 PolarHBondContact O-N 2.82Å; T250-A253 CarbonylContact O-C 3.58Å; T250-A253 WeakPolarHBondContact O-CA 3.39Å; T250-A253 WeakPolarHBondContact O-CB 3.39Å; T250-A253 PolarHBondContact O-N 3.21Å; A253-H256 CarbonylContact O-C 3.59Å; A253-H256 WeakPolarHBondContact O-CA 3.24Å; A253-H256 WeakPolarHBondContact O-CB 3.4Å; A253-H256 PolarHBondContact O-N 3.47Å; A253-H256 VanDerWaalsContact O-N 3.15Å; A253-Y257 HydrophobicContact CB-CD2 4.4Å; A253-Y257 HydrophobicContact CB-CE2 4.14Å; A253-Y257 WeakPolarHBondContact O-CD2 3.34Å; A253-Y257 PolarHBondContact O-N 3.18Å
254E93.6Very high94Very high95 Ų9588.5 Ų88.544%0.44443%0.43SS..Hα-helixtrans-62.4-46.6176.2-71.6177.8-150.800112.6T250 H256 Y257 K258T250-E254 WeakPolarHBondContact CG2-OE1 3.42Å; T250-E254 PolarHBondContact O-N 3.4Å; E254-H256 PolarHBondContact O-N 2.93Å; E254-Y257 PolarHBondContact O-N 3.23Å; E254-K258 WeakPolarHBondContact O-CB 3.43Å; E254-K258 PolarHBondContact O-N 3.26Å
255A95.4Very high94.1Very high69 Ų6985.4 Ų85.457%0.5742%0.415SS*.Hα-helixtrans-62-28.7174.100000112.3N251 G259N251-A255 VanDerWaalsContact O-CB 3.24Å; N251-A255 WeakPolarHBondContact O-CB 3.01Å; N251-A255 PolarHBondContact O-N 2.81Å; A255-G259 WeakPolarHBondContact O-CA 3.14Å; A255-G259 PolarHBondContact O-N 3.17Å
256H96.1Very high94.2Very high25 Ų2584.1 Ų84.112%0.11641%0.408CS..Hα-helixtrans-71.3-50.8169.8176.980.3000112.2C240 C243 F247 Q252 A253 E254 K258 G259 H262C240-H256 PolarHBondContact SG-NE2 2.95Å; C240-H256 VanDerWaalsContact SG-NE2 3.35Å; C243-H256 WeakPolarHBondContact CB-NE2 3.42Å; C243-H256 PolarHBondContact SG-NE2 3.07Å; C243-H256 VanDerWaalsContact SG-NE2 3.38Å; F247-H256 HydrophobicContact CE1-CB 4.03Å; F247-H256 HydrophobicContact CE2-CB 3.76Å; F247-H256 AromaticContact CE2-CD2 3.84Å; F247-H256 AromaticContact CE2-CG 3.7Å; F247-H256 HydrophobicContact CZ-CB 3.37Å; F247-H256 AromaticContact CZ-CD2 3.9Å; F247-H256 AromaticContact CZ-CG 3.33Å; F247-H256 AromaticContact CZ-ND1 3.64Å; Q252-H256 WeakPolarHBondContact O-CB 3.49Å; Q252-H256 PolarHBondContact O-N 2.88Å; A253-H256 CarbonylContact O-C 3.59Å; A253-H256 WeakPolarHBondContact O-CA 3.24Å; A253-H256 WeakPolarHBondContact O-CB 3.4Å; A253-H256 PolarHBondContact O-N 3.47Å; A253-H256 VanDerWaalsContact O-N 3.15Å; E254-H256 PolarHBondContact O-N 2.93Å; H256-K258 PolarHBondContact O-N 3.25Å; H256-G259 WeakPolarHBondContact O-CA 3.43Å; H256-G259 PolarHBondContact O-N 2.86Å; H256-H262 AromaticContact CD2-ND1 3.68Å; H256-H262 AromaticContact NE2-CG 3.93Å; H256-H262 AromaticContact NE2-ND1 3.29Å; H256-H262 PolarHBondContact NE2-ND1 3.31Å; H256-H262 WeakPolarHBondContact O-CB 3.24Å
257Y96.2Very high94.2Very high92 Ų9283.3 Ų83.336%0.36141%0.409SS..Hα-helixtrans-60.8-44.2-178.7-73.5-60.6000112.4I238 S239 C240 A253 E254 G259 H262I238-Y257 HydrophobicContact CG2-CE2 4.38Å; S239-Y257 PolarHBondContact O-OH 3.41Å; C240-Y257 WeakPolarHBondContact CA-OH 3.36Å; C240-Y257 HydrophobicContact CB-CE1 4Å; A253-Y257 HydrophobicContact CB-CD2 4.4Å; A253-Y257 HydrophobicContact CB-CE2 4.14Å; A253-Y257 WeakPolarHBondContact O-CD2 3.34Å; A253-Y257 PolarHBondContact O-N 3.18Å; E254-Y257 PolarHBondContact O-N 3.23Å; Y257-G259 PolarHBondContact O-N 3.48Å; Y257-H262 AromaticContact CD1-CE1 3.55Å; Y257-H262 AromaticContact CD1-NE2 3.63Å; Y257-H262 AromaticContact CE1-CE1 3.83Å; Y257-H262 PolarHBondContact O-CD2 2.7Å
258K95.4Very high94.2Very high183 Ų18385 Ų8580%0.79643%0.428SS*.THydrogen-bonded Turntrans-74.8-5.4173-64.7179.6178.41740113E254 H256E254-K258 WeakPolarHBondContact O-CB 3.43Å; E254-K258 PolarHBondContact O-N 3.26Å; H256-K258 PolarHBondContact O-N 3.25Å
259G96.4Very high94.1Very high20 Ų2085.8 Ų85.821%0.20643%0.43CS..SBendtrans-83.6142.7-173.900000114.6A255 H256 Y257 K261 H262 A263A255-G259 WeakPolarHBondContact O-CA 3.14Å; A255-G259 PolarHBondContact O-N 3.17Å; H256-G259 WeakPolarHBondContact O-CA 3.43Å; H256-G259 PolarHBondContact O-N 2.86Å; Y257-G259 PolarHBondContact O-N 3.48Å; G259-K261 PolarHBondContact O-N 3.2Å; G259-H262 WeakPolarHBondContact O-CB 3.07Å; G259-H262 PolarHBondContact O-N 2.86Å; G259-A263 PolarHBondContact O-N 3.35Å; G259-A263 VanDerWaalsContact O-N 3.08Å
260H95.8Very high94.1Very high147 Ų14788.5 Ų88.568%0.68144%0.437SS*.Hα-helixtrans-54.6-29.7-179.2-168.251.1000114.4R264H260-R264 WeakPolarHBondContact O-CB 3.39Å; H260-R264 WeakPolarHBondContact O-CG 3.48Å; H260-R264 PolarHBondContact O-N 3.25Å
261K92.1Very high94.1Very high182 Ų18288 Ų8879%0.79144%0.44SS*.Hα-helixtrans-64.6-38.6175.2-67.2173.3-174.3-850112.1G259G259-K261 PolarHBondContact O-N 3.2Å
262H95.7Very high93.7Very high7 Ų788.4 Ų88.43%0.03244%0.438CS..Hα-helixtrans-75.8-49.5176.9-175.185.1000110.8C240 H256 Y257 G259 R264 K265 L266C240-H262 PolarHBondContact SG-CE1 2.75Å; C240-H262 PolarHBondContact SG-ND1 3.31Å; H256-H262 AromaticContact CD2-ND1 3.68Å; H256-H262 AromaticContact NE2-CG 3.93Å; H256-H262 AromaticContact NE2-ND1 3.29Å; H256-H262 PolarHBondContact NE2-ND1 3.31Å; H256-H262 WeakPolarHBondContact O-CB 3.24Å; Y257-H262 AromaticContact CD1-CE1 3.55Å; Y257-H262 AromaticContact CD1-NE2 3.63Å; Y257-H262 AromaticContact CE1-CE1 3.83Å; Y257-H262 PolarHBondContact O-CD2 2.7Å; G259-H262 WeakPolarHBondContact O-CB 3.07Å; G259-H262 PolarHBondContact O-N 2.86Å; H262-R264 VanDerWaalsContact C-N 3.27Å; H262-R264 PolarHBondContact O-N 3.1Å; H262-K265 WeakPolarHBondContact O-CA 3.41Å; H262-K265 PolarHBondContact O-N 3.3Å; H262-L266 WeakPolarHBondContact NE2-CD1 3.47Å; H262-L266 PolarHBondContact O-N 2.95Å
263A95.2Very high93.6Very high31 Ų3190.4 Ų90.426%0.25645%0.445SS..Hα-helixtrans-56.3-36.4178.400000113.6G259 K267G259-A263 PolarHBondContact O-N 3.35Å; G259-A263 VanDerWaalsContact O-N 3.08Å; A263-K267 WeakPolarHBondContact O-CG 3.45Å; A263-K267 PolarHBondContact O-N 3.15Å; A263-K267 VanDerWaalsContact O-N 3.16Å
264R95.6Very high93.1Very high167 Ų16794.9 Ų94.963%0.6347%0.469SS*.Hα-helixtrans-66.1-37.7172.2-78.6-175.7179.7-125.5-2113.1H260 H262 A268H260-R264 WeakPolarHBondContact O-CB 3.39Å; H260-R264 WeakPolarHBondContact O-CG 3.48Å; H260-R264 PolarHBondContact O-N 3.25Å; H262-R264 VanDerWaalsContact C-N 3.27Å; H262-R264 PolarHBondContact O-N 3.1Å; R264-A268 PolarHBondContact O-N 3.03Å
265K92.6Very high92.6Very high80 Ų80100.5 Ų100.535%0.34849%0.486SS..Hα-helixtrans-75.9-35179.8-160175.1-179.4-163.50111.8I242 H262 A268 M269I242-K265 HydrophobicContact CG2-CB 4.1Å; I242-K265 HydrophobicContact CG2-CD 4.18Å; I242-K265 HydrophobicContact CG2-CG 4.02Å; I242-K265 VanDerWaalsContact O-CD 3.24Å; I242-K265 WeakPolarHBondContact O-CD 3.28Å; I242-K265 WeakPolarHBondContact O-CE 3.49Å; I242-K265 PolarHBondContact O-NZ 2.87Å; H262-K265 WeakPolarHBondContact O-CA 3.41Å; H262-K265 PolarHBondContact O-N 3.3Å; K265-A268 PolarHBondContact O-N 3.23Å; K265-M269 VanDerWaalsContact O-CG 3.28Å; K265-M269 WeakPolarHBondContact O-CG 3.49Å; K265-M269 PolarHBondContact O-N 3.35Å
266L94Very high91.6Very high53 Ų53102.5 Ų102.528%0.27748%0.484SS..Hα-helixtrans-53.4-60.8167.1-88.1173000111.3I242 H262 A268 M269 E270I242-L266 HydrophobicContact CD1-CD2 3.49Å; I242-L266 VanDerWaalsContact CD1-CD2 3.49Å; I242-L266 HydrophobicContact CD1-CG 4.11Å; I242-L266 HydrophobicContact CG1-CD2 4.39Å; H262-L266 WeakPolarHBondContact NE2-CD1 3.47Å; H262-L266 PolarHBondContact O-N 2.95Å; L266-A268 PolarHBondContact O-N 2.83Å; L266-A268 VanDerWaalsContact O-N 3.15Å; L266-M269 CarbonylContact O-C 3.52Å; L266-M269 WeakPolarHBondContact O-CA 3.48Å; L266-M269 WeakPolarHBondContact O-CB 3.41Å; L266-M269 PolarHBondContact O-N 2.81Å; L266-E270 WeakPolarHBondContact O-CG 3.5Å; L266-E270 PolarHBondContact O-N 2.93Å
267K94.8Very high90.4Very high153 Ų153109.5 Ų109.567%0.66551%0.509SS*.Hα-helixtrans-58.8-32.8-177.4-69.3-174.3177.2-167.30113.8A263 E270 A271A263-K267 WeakPolarHBondContact O-CG 3.45Å; A263-K267 PolarHBondContact O-N 3.15Å; A263-K267 VanDerWaalsContact O-N 3.16Å; K267-E270 WeakPolarHBondContact CA-OE2 3.31Å; K267-A271 WeakPolarHBondContact O-CB 3.35Å; K267-A271 PolarHBondContact O-N 3.46Å
268A94.2Very high88.6Confident60 Ų60115.1 Ų115.150%0.49653%0.53SS..Hα-helixtrans-68.5-43.8172.900000112.8R264 K265 L266 Q272R264-A268 PolarHBondContact O-N 3.03Å; K265-A268 PolarHBondContact O-N 3.23Å; L266-A268 PolarHBondContact O-N 2.83Å; L266-A268 VanDerWaalsContact O-N 3.15Å; A268-Q272 PolarHBondContact O-N 3.19Å; A268-Q272 VanDerWaalsContact O-N 3.12Å
269M88.9Confident86.8Confident98 Ų98108.4 Ų108.448%0.48351%0.513SS..Hα-helixtrans-67.3-38.5176.2-70.9-66-66.200112.1K265 L266 Q272 K273K265-M269 VanDerWaalsContact O-CG 3.28Å; K265-M269 WeakPolarHBondContact O-CG 3.49Å; K265-M269 PolarHBondContact O-N 3.35Å; L266-M269 CarbonylContact O-C 3.52Å; L266-M269 WeakPolarHBondContact O-CA 3.48Å; L266-M269 WeakPolarHBondContact O-CB 3.41Å; L266-M269 PolarHBondContact O-N 2.81Å; M269-Q272 PolarHBondContact O-N 3Å; M269-K273 WeakPolarHBondContact O-CB 3.4Å; M269-K273 PolarHBondContact O-N 3.15Å
270E91.9Very high84.8Confident101 Ų101109.3 Ų109.347%0.47252%0.522SS..Hα-helixtrans-63.2-46.7175.2-72.4156.5-167.400111.4L266 K267 Q272 K273 N274L266-E270 WeakPolarHBondContact O-CG 3.5Å; L266-E270 PolarHBondContact O-N 2.93Å; K267-E270 WeakPolarHBondContact CA-OE2 3.31Å; E270-Q272 VanDerWaalsContact C-N 3.28Å; E270-Q272 PolarHBondContact O-N 3.04Å; E270-K273 PolarHBondContact O-N 2.97Å; E270-N274 VanDerWaalsContact O-CB 3.31Å; E270-N274 WeakPolarHBondContact O-CB 3.42Å; E270-N274 PolarHBondContact O-N 3.38Å
271A91.4Very high82.5Confident56 Ų56108.6 Ų108.646%0.46352%0.523SS..Hα-helixtrans-60.3-37.5174.600000112.3K267 R275K267-A271 WeakPolarHBondContact O-CB 3.35Å; K267-A271 PolarHBondContact O-N 3.46Å; A271-R275 WeakPolarHBondContact O-CB 3.34Å; A271-R275 WeakPolarHBondContact O-CG 3.44Å; A271-R275 PolarHBondContact O-N 3.44Å; A271-R275 VanDerWaalsContact O-N 3.14Å
272Q87.2Confident80.6Confident128 Ų128106.1 Ų106.160%0.59852%0.523SS*.Hα-helixtrans-69.1-41.5174.6-170.3174.6-61.400112.3A268 M269 E270 Q276A268-Q272 PolarHBondContact O-N 3.19Å; A268-Q272 VanDerWaalsContact O-N 3.12Å; M269-Q272 PolarHBondContact O-N 3Å; E270-Q272 VanDerWaalsContact C-N 3.28Å; E270-Q272 PolarHBondContact O-N 3.04Å; Q272-Q276 PolarHBondContact O-N 3.3Å; Q272-Q276 VanDerWaalsContact O-N 3.1Å
273K88.9Confident78.6Confident149 Ų149109.9 Ų109.965%0.64855%0.55SS**Hα-helixtrans-66.7-40.3177.4-170.6178.8-179.2-176.90112.1M269 E270 Q276 R277M269-K273 WeakPolarHBondContact O-CB 3.4Å; M269-K273 PolarHBondContact O-N 3.15Å; E270-K273 PolarHBondContact O-N 2.97Å; K273-Q276 PolarHBondContact O-N 2.94Å; K273-R277 PolarHBondContact O-N 2.88Å
274N83.6Confident76.5Confident97 Ų97115.3 Ų115.352%0.51958%0.581SS.*Hα-helixtrans-63.9-46.2176.3-170.6-12.8000111.1E270 Q276 R277 R278E270-N274 VanDerWaalsContact O-CB 3.31Å; E270-N274 WeakPolarHBondContact O-CB 3.42Å; E270-N274 PolarHBondContact O-N 3.38Å; N274-Q276 VanDerWaalsContact C-N 3.27Å; N274-Q276 PolarHBondContact O-N 3.48Å; N274-R277 PolarHBondContact O-N 3.34Å; N274-R277 VanDerWaalsContact O-N 3.15Å; N274-R278 PolarHBondContact O-N 3.29Å
275R83.6Confident74.3Confident212 Ų212112.9 Ų112.980%0.859%0.585SS**Hα-helixtrans-56.9-37.4171.5-80.3178.9167.4-176.8-4.6113.3A271 G279A271-R275 WeakPolarHBondContact O-CB 3.34Å; A271-R275 WeakPolarHBondContact O-CG 3.44Å; A271-R275 PolarHBondContact O-N 3.44Å; A271-R275 VanDerWaalsContact O-N 3.14Å; R275-G279 PolarHBondContact O-N 2.9Å
276Q75.3Confident72.2Confident111 Ų111112 Ų11252%0.51960%0.599SS.*Hα-helixtrans-75.2-27.7178.1-17754.952.100113.3Q272 K273 N274Q272-Q276 PolarHBondContact O-N 3.3Å; Q272-Q276 VanDerWaalsContact O-N 3.1Å; K273-Q276 PolarHBondContact O-N 2.94Å; N274-Q276 VanDerWaalsContact C-N 3.27Å; N274-Q276 PolarHBondContact O-N 3.48Å
277R69Low70Confident172 Ų172117.2 Ų117.265%0.64962%0.619SS**Hα-helixtrans-74.1-52171.3-76-137.7177.7-80.67.7112.2K273 N274 G279 G280K273-R277 PolarHBondContact O-N 2.88Å; N274-R277 PolarHBondContact O-N 3.34Å; N274-R277 VanDerWaalsContact O-N 3.15Å; R277-G279 PolarHBondContact O-N 3.37Å; R277-G280 PolarHBondContact O-N 3.18Å
278R58.9Low67.8Low210 Ų210117.4 Ų117.479%0.79262%0.622SS**THydrogen-bonded Turntrans-61.7-10.4178.2-77.7-173171.3-91.12.3115.1N274N274-R278 PolarHBondContact O-N 3.29Å
279G57.7Low65.7Low43 Ų43123.7 Ų123.744%0.44363%0.633SS.*THydrogen-bonded Turntrans-10718.7171.700000114.5R275 R277R275-G279 PolarHBondContact O-N 2.9Å; R277-G279 PolarHBondContact O-N 3.37Å
280G54Low63.9Low39 Ų39125.7 Ų125.740%0.40264%0.641SS.*THydrogen-bonded Turntrans-113.8-38.2175.600000113.6R277 T282R277-G280 PolarHBondContact O-N 3.18Å; G280-T282 PolarHBondContact O-N 2.84Å
281D49Very low61.9Low131 Ų131128.9 Ų128.970%0.70165%0.649SS**  trans-81.542.4-169.3-49.4-46000114
282T51.5Low60.1Low130 Ų130132.5 Ų132.580%0.79866%0.656SS**  trans-123.752.4174.661.30000111.4G280G280-T282 PolarHBondContact O-N 2.84Å
283S52.9Low58.7Low86 Ų86135 Ų13560%0.60166%0.66SS**SBendtrans-135.1146.5166.954.10000110.8T285S283-T285 PolarHBondContact O-N 2.9Å
284T52.3Low56.9Low145 Ų145133.6 Ų133.689%0.8966%0.66SS**SBendtrans70.3-42.8170.769.50000121.6
285T49.8Very low55.7Low117 Ų117137.7 Ų137.772%0.71867%0.668SS**SBendtrans-111-13.2-167.856.50000117.9S283 K287S283-T285 PolarHBondContact O-N 2.9Å; T285-K287 PolarHBondContact O-N 3.04Å
286G48.2Very low54.3Low62 Ų62134.8 Ų134.864%0.63966%0.663SS**THydrogen-bonded Turntrans-77.4-17.8-169.300000117.5
287K47.1Very low53.4Low162 Ų162139.9 Ų139.970%0.70468%0.678SS**THydrogen-bonded Turntrans-89.6-3.8-165-80.9-169.4171.4-173.60116.4T285 R291T285-K287 PolarHBondContact O-N 3.04Å; K287-R291 WeakPolarHBondContact O-CD 3.48Å
288E48.3Very low52.3Low156 Ų156138.8 Ų138.873%0.72969%0.685SS**Hα-helixtrans-87.2-60.5-173.6-167.5161.9-137.100111E290 R291 E292E288-E290 PolarHBondContact O-N 3.49Å; E288-R291 PolarHBondContact O-N 3.21Å; E288-E292 PolarHBondContact O-N 3.12Å
289R50.8Low52Low193 Ų193139.1 Ų139.173%0.72869%0.686SS**Hα-helixtrans-62.9-8.6-178.7-66.9179.5173.3179.5-3.6116.3
290E49.8Very low51.6Low139 Ų139144.3 Ų144.365%0.6570%0.704SS**Hα-helixtrans-86.8-40.7173.6-166.7168.6-133.300110.6E288 E292E288-E290 PolarHBondContact O-N 3.49Å; E290-E292 VanDerWaalsContact C-N 3.32Å; E290-E292 PolarHBondContact O-N 2.9Å
291R51.8Low51.4Low169 Ų169151.6 Ų151.664%0.63872%0.724SS**Hα-helixtrans-78-14.1-179.3-69.7175159.8-172.8-10.4114.5K287 E288 R295K287-R291 WeakPolarHBondContact O-CD 3.48Å; E288-R291 PolarHBondContact O-N 3.21Å; R291-R295 PolarHBondContact O-NH1 3.36Å
292E53.2Low50.9Low131 Ų131152 Ų15261%0.61273%0.732SS**Hα-helixtrans-75.8-46.2175.1-172.1170-141.100110.5E288 E290 D294 R295E288-E292 PolarHBondContact O-N 3.12Å; E290-E292 VanDerWaalsContact C-N 3.32Å; E290-E292 PolarHBondContact O-N 2.9Å; E292-D294 PolarHBondContact O-N 2.82Å; E292-R295 PolarHBondContact O-N 3.15Å
293R56.8Low50.4Low180 Ų180152 Ų15268%0.67973%0.732SS**Hα-helixtrans-71.1-27.1-171.3-154-179.5-55.8-107-8.9114.6
294D51.7Low50.4Low121 Ų121153.7 Ų153.765%0.64774%0.741SS**THydrogen-bonded Turntrans-72-33.4173.8-77.6-26.2000112.2E292 E296 R297E292-D294 PolarHBondContact O-N 2.82Å; D294-E296 VanDerWaalsContact C-N 3.33Å; D294-E296 PolarHBondContact O-N 3.14Å; D294-R297 PolarHBondContact O-N 2.96Å
295R58.1Low49.4Very low182 Ų182152.8 Ų152.869%0.68774%0.741SS**THydrogen-bonded Turntrans-72.1-26.2-176.9-72.4-173.7171.793.6-11.8113.9R291 E292 R297R291-R295 PolarHBondContact O-NH1 3.36Å; E292-R295 PolarHBondContact O-N 3.15Å; R295-R297 VanDerWaalsContact C-N 3.26Å; R295-R297 PolarHBondContact O-N 2.84Å
296E54.4Low48.5Very low151 Ų151155 Ų15571%0.70675%0.748SS**THydrogen-bonded Turntrans-70.3-24.4177.3-167.1171.2-144.400112D294D294-E296 VanDerWaalsContact C-N 3.33Å; D294-E296 PolarHBondContact O-N 3.14Å
297R56.7Low47.9Very low218 Ų218156.3 Ų156.382%0.82375%0.753SS**THydrogen-bonded Turntrans-79.7-30.1-174.4-176.5153.7-73.8-105.8-9.6114.5D294 R295D294-R297 PolarHBondContact O-N 2.96Å; R295-R297 VanDerWaalsContact C-N 3.26Å; R295-R297 PolarHBondContact O-N 2.84Å
298D45.9Very low47Very low149 Ų149153.6 Ų153.680%0.79776%0.76SS**THydrogen-bonded Turntrans-80.5-12.5-179.1-95.5-47.4000114.1
299R52.3Low46.4Very low218 Ų218154.1 Ų154.182%0.82377%0.767SS**THydrogen-bonded Turntrans-84.4-12.9-170.9-148.9171.5-1711722.1115
300N48.9Very low46.1Very low151 Ų151150.5 Ų150.581%0.80777%0.769SS**SBendtrans-102.941.7-172.7-72.325.8000113.3
301K50.9Low45.3Very low192 Ų192148.1 Ų148.184%0.83577%0.773SS**  trans-138.851.2-179-154.8-165.2173.6-172.90115
302T37Very low45.1Very low139 Ų139145.6 Ų145.685%0.85378%0.779SS**  trans-133.1152.6163-36.20000109.7
303T40.7Very low44.2Very low131 Ų131147.7 Ų147.780%0.80479%0.792SS**  trans-100.7-160.1-156.855.40000112.8
304P53.8Low42.8Very low121 Ų121145.7 Ų145.779%0.78680%0.795SS**  -127.1175-105.438.5-19.2000115.1
305S32Very low41.8Very low127 Ų127145.5 Ų145.589%0.88880%0.798SS**  trans-155.1157.3161.658.90000111.6
306D31.1Very low40.5Very low164 Ų164141.8 Ų141.888%0.87780%0.8SS**  trans-117179.9-169-158.2-11.2000111.9
307A34.2Very low39.4Very low89 Ų89141.6 Ų141.674%0.73680%0.803SS**  trans94.2142.916600000120.2
308A28.9Very low38.2Very low105 Ų105137.1 Ų137.187%0.86880%0.8SS**  trans84.9115.3168.400000119.6
309L36.2Very low37.4Very low166 Ų166138.1 Ų138.187%0.86980%0.797SS**  trans-108.2173.6171.7-85.7174.9000108.4
310P43.2Very low36.3Very low117 Ų117134.9 Ų134.976%0.7679%0.791SS**  cis-155.7165.43844.2-22.1000122.5
311A34Very low35.3Very low90 Ų90134 Ų13474%0.74479%0.792SS**  trans76.1148.5139.400000122.6
312P47.9Very low34.2Very low116 Ų116129.5 Ų129.575%0.75378%0.784SS**  trans-128.6-177.5-171.944.6-28.9000115.2
313I33.8Very low33.8Very low174 Ų174129.9 Ų129.989%0.89278%0.78SS**  trans-143.697.6146.826172000111.6
314D27.9Very low33.2Very low138 Ų138130.9 Ų130.974%0.73878%0.776SS**  trans37.8156.7140.7-111.3-56000127.3
315T30.9Very low31.9Very low117 Ų117133.5 Ų133.572%0.71878%0.775SS**  trans-17.7145.4165.541.80000120.1
316S29.3Very low31.6Very low104 Ų104133.3 Ų133.373%0.72776%0.764SS**  cis100.6144.730.7-173.60000114.8
317L31.1Very low31.5Very low148 Ų148132.5 Ų132.578%0.77576%0.759SS**  trans93.1124.4159.2-138.178.8000119
318V32.1Very low31.1Very low124 Ų124135.6 Ų135.675%0.75276%0.758SS**  trans29.2142.4154.7-57.10000120.3
319K29Very low31.6Very low169 Ų169136 Ų13674%0.73575%0.752SS**  -176.1136.458.2179.5164.7-179.9-171.80113.5
320E28.9Very low31.1Very low151 Ų151132 Ų13271%0.70674%0.738SS**  trans24.8124.4137.7-161.5176.4-12800120.1
321T27.8Very low30.6Very low132 Ų132133.7 Ų133.781%0.8174%0.739SS**  159.7153.9129.8-67.20000114.3
322S27.4Very low30.4Very low97 Ų97136 Ų13668%0.67874%0.739SS**  trans-50.2152.1176.8-65.40000121.5
323L29.9Very low29.6Very low147 Ų147138 Ų13877%0.7774%0.737SS**  trans74.5113.1134.8-70.7168.2000123.5
324Q27.8Very low29.4Very low153 Ų153132 Ų13272%0.71572%0.719SS**  87160.2116.9-158.4165.5-1.400120.7
325F26.5Very low29.3Very low176 Ų176134.5 Ų134.577%0.77272%0.724SS**  trans74.1141.2-175.1-72.8-98.3000115.7
326D25.5Very low29.1Very low123 Ų123136.7 Ų136.766%0.65873%0.73SS**  cis-165.7175.3-22.7-149.6-15.2000111.3
327L30Very low29.1Very low147 Ų147138.8 Ų138.877%0.7773%0.728SS**  trans64.6101.3155.3-75.4149.5000121.2
328E25.9Very low28.8Very low153 Ų153140.7 Ų140.772%0.71573%0.733SS**  trans-34.7153.8142.6-89.4-70.3144.700115.5S330E328-S330 PolarHBondContact OE2-N 2.99Å
329P38.1Very low28.7Very low113 Ų113139 Ų13973%0.73473%0.727SS**  -153.3130.580.837.9-16.2000120.4
330S26.3Very low29.7Very low83 Ų83135.3 Ų135.358%0.5872%0.72SS**  76.2138.1115.3-60.20000124.6E328E328-S330 PolarHBondContact OE2-N 2.99Å
331I31.8Very low29.7Very low152 Ų152139.1 Ų139.178%0.77973%0.728SS**  trans75.3133.8134.1-75.5170.9000118.4
332L31.6Very low29.7Very low140 Ų140138.7 Ų138.773%0.73373%0.73SS**  cis-152.4-173-6.9-108172.8000107.3
333E29.5Very low29.8Very low156 Ų156139.2 Ų139.273%0.72973%0.734SS**  cis-149.3179.77.4-120.5-74.987.700105.1
334G29.6Very low29.9Very low50 Ų50139 Ų13952%0.51574%0.739SS.*  cis175.91563.200000115
335K25.6Very low30Very low190 Ų190140 Ų14083%0.82675%0.745SS**  trans70.7119.6-177.5-58.6-175.7177.6-178.90117
336L27.9Very low30.1Very low162 Ų162139.8 Ų139.885%0.84875%0.752SS**  cis87.6130.231.9-167.8165.3000112.5
337E28.7Very low30.7Very low149 Ų149140.1 Ų140.170%0.69676%0.758SS**  cis-171.8164-18.5-117.5-70.8108.300107.3
338E25.1Very low30.8Very low187 Ų187139.1 Ų139.187%0.87476%0.761SS**  172.3159.3123.5-164.5158.6130.900110.2
339S30.3Very low30.8Very low88 Ų88138 Ų13862%0.61576%0.763SS**  trans-144.2-159.5-156-141.30000110.2
340P50.3Low30.5Very low93 Ų93136.8 Ų136.860%0.60476%0.758SS**  cis-138.4-171.7-12.828.2-3.4000115.6
341R27.7Very low30.5Very low231 Ų231140.5 Ų140.587%0.87277%0.766SS**  trans93.7135.4156.1-55.6175-175160.73.8117.4
342S27.7Very low30.3Very low122 Ų122139.1 Ų139.185%0.85377%0.765SS**  cis-157.8161.7-13.749.50000111.4
343S29.8Very low30Very low108 Ų108137.5 Ų137.576%0.75577%0.765SS**  trans-111.3149.7-161.937.80000115.6
344V31.5Very low30.1Very low143 Ų143134.6 Ų134.687%0.86776%0.762SS**  trans54141.7139.9-177.70000121
345M31.4Very low30.2Very low173 Ų173138.7 Ų138.785%0.85278%0.776SS**  trans-72.8141.4177.6-65.9-83.615500114.1
346L28.2Very low30.3Very low173 Ų173137.1 Ų137.191%0.90677%0.772SS**  trans-141.2153.2148.8-77.6-177.7000110.6
347T37.9Very low30.3Very low129 Ų129136.3 Ų136.379%0.79177%0.768SS**  trans-98.4136.9-178.547.50000112.5
348P32Very low30.2Very low127 Ų127134.7 Ų134.783%0.82577%0.768SS**  trans-88.4171.2165.335.7-32.9000112.8
349V25.3Very low30.2Very low128 Ų128130.8 Ų130.878%0.77676%0.757SS**  trans-133.9167.9-171.7-177.10000109.3
350S32.3Very low30Very low89 Ų89134.2 Ų134.262%0.62277%0.768SS**  trans70.6155.8170.4-75.30000116.5
351E27.2Very low28.8Very low161 Ų161135.2 Ų135.275%0.75278%0.777SS**  cis-155.6-172.1-18.1-113.5163.6122.400106.6
352V26.4Very low29.9Very low123 Ų123129.9 Ų129.975%0.74577%0.772SS**  cis-161.7156.528.8-140.20000110.7
353S25.6Very low30.4Very low106 Ų106130 Ų13074%0.74177%0.77SS**  trans63.9143.7136-156.20000121.8
354S32.4Very low30.4Very low95 Ų95133.1 Ų133.166%0.66477%0.773SS**  cis-172.7-173.4-19-850000109.1
355V30.2Very low30Very low135 Ų135133 Ų13382%0.81877%0.772SS**  trans84.1125.8158.3-1740000116.3
356E29.4Very low30Very low157 Ų157130.2 Ų130.273%0.73477%0.769SS**  cis-165.3-169.9-27.8-138.1-169.5132.900110.5
357L27.8Very low30.4Very low145 Ų145127.3 Ų127.376%0.75976%0.761SS**  trans71.2100171.1-105.657.1000116.3
358V26.4Very low29.8Very low115 Ų115126.6 Ų126.670%0.69776%0.761SS**  83.2134.752.6168.90000112.8
359T24.1Very low29.7Very low106 Ų106124.8 Ų124.865%0.6575%0.751SS**  cis-166.4155.5-22.3-80.90000106.2
360L27.3Very low29.9Very low160 Ų160126 Ų12684%0.83875%0.749SS**  trans150127.2136-78.8169000110.6
361S24Very low29.6Very low114 Ų114128.8 Ų128.880%0.79776%0.756SS**  trans-118.1-155.2178.2-58.10000109.7
362P51.1Low29.7Very low118 Ų118125.2 Ų125.277%0.76675%0.749SS**  -105.4-166.7-120.438.5-20.3000112.5
363P39Very low29.8Very low125 Ų125127.2 Ų127.281%0.81275%0.75SS**  -149.7-174.688.140.2-21.7000115.7
364Q28.6Very low29.7Very low174 Ų174128 Ų12881%0.81375%0.751SS**  trans-70.1148167.2-61-89.11500111.8
365V23.7Very low29.4Very low140 Ų140127.6 Ų127.685%0.84875%0.753SS**  174.2155.5118.6-84.50000112.5
366S30.2Very low29.3Very low114 Ų114126.2 Ų126.280%0.79775%0.749SS**  trans-119155.6156-480000107.8
367P38.2Very low29.1Very low112 Ų112125.8 Ų125.873%0.72775%0.752SS**  -157.9177.488.141.6-22.7000117
368S23.7Very low29Very low114 Ų114125.2 Ų125.280%0.79776%0.755SS**  trans63.7157.2159-64.50000117.6
369S31.1Very low29Very low89 Ų89124.6 Ų124.662%0.62276%0.755SS**  cis-157.7174.3-0.1-1120000107.6
370Q28.8Very low29.2Very low154 Ų154125.3 Ų125.372%0.7276%0.759SS**  cis-151.2154.6-1.7-117.6144.4-110.200106.5
371L26.3Very low29.9Very low148 Ų148123.2 Ų123.278%0.77576%0.756SS**  47.8140.990.4-54.8177.8000116.3
372S29.5Very low30Very low86 Ų86126.3 Ų126.360%0.60176%0.757SS**  cis-157.6149.616.9-7.80000115.8
373E28.2Very low28.8Very low164 Ų164124.6 Ų124.677%0.76676%0.761SS**  65.8158.7128.6-63.3175.6107.900121.6
374T24.4Very low28.1Very low124 Ų124122.3 Ų122.376%0.76176%0.76SS**  cis-161.7179-8.318.50000112.6
375A25.1Very low28Very low86 Ų86123.4 Ų123.471%0.71177%0.765SS**  trans84.986.4147.700000121.9
376S28.7Very low28Very low105 Ų105121.5 Ų121.573%0.73477%0.765SS**  38.9149.7107.4-40.60000126
377D24.7Very low27.9Very low149 Ų149121 Ų12180%0.79777%0.768SS**  trans92.6140.2138.6-63.6-29.8000124.8
378T25.7Very low27.3Very low133 Ų133124.1 Ų124.182%0.81677%0.772SS**  trans71.3137144.8-69.40000119.7
379S27Very low28Very low102 Ų102123.4 Ų123.471%0.71377%0.765SS**  cis-164.1179.9-13.860.80000112.2
380T27.9Very low27.8Very low120 Ų120125 Ų12574%0.73677%0.771SS**  trans-74.2173.316244.50000112.6
381P42Very low27.5Very low117 Ų117126.3 Ų126.376%0.7678%0.777SS**  -149.3150109.738.5-22.5000118.4
382E26.9Very low27.5Very low178 Ų178122.9 Ų122.983%0.83277%0.77SS**  trans43.4129.1134.3-54.4-54.889.400126
383G24.6Very low27.5Very low82 Ų82125.8 Ų125.885%0.84579%0.785SS**  104.9128.8121.900000120.4
384G24.7Very low27.4Very low77 Ų77126.1 Ų126.179%0.79479%0.786SS**  trans152.340.5162.100000123.5
385E26.3Very low27.4Very low197 Ų197124.4 Ų124.492%0.92178%0.784SS**  trans50148.2152-57.7-159.995.400126.3
386A24.9Very low27.5Very low101 Ų101127.6 Ų127.684%0.83579%0.786SS**  trans95.8136.8141.600000124
387A27Very low27.4Very low104 Ų104128.2 Ų128.286%0.8679%0.789SS**  trans83.789.9154.900000122.5
388E25.1Very low27.7Very low177 Ų177128.9 Ų128.983%0.82779%0.792SS**  trans-63.4175.2135.9-80.3-81.414700111.1
389P38.8Very low27.6Very low99 Ų99129.8 Ų129.864%0.64380%0.798SS**  cis-141.2-158.215.136.1-11.6000116
390T26.6Very low27.6Very low122 Ų122128 Ų12875%0.74880%0.795SS**  trans91.1109.116667.60000116.5
391E24.2Very low27.6Very low182 Ų182131.3 Ų131.385%0.8580%0.802SS**  cis81.713233.3-73.6-87.581.700117.6
392A24.4Very low27.1Very low76 Ų76130.6 Ų130.663%0.62880%0.8SS**  trans52.1125.9155.500000121.7
393T29.5Very low27.1Very low147 Ų147125.8 Ų125.890%0.90280%0.798SS**  -176.9166.79728.40000112.5
394E26.4Very low27.4Very low170 Ų170129.9 Ų129.979%0.79480%0.801SS**  trans-122.1143.5-167.9-57.618099.300114.7
395A25.4Very low27.6Very low88 Ų88131 Ų13173%0.72780%0.803SS**  trans62.3-171136.400000121.7
396M26.3Very low27.7Very low153 Ų153126.7 Ų126.775%0.75480%0.8SS**  trans47.295.9176.530.7-86.9172.100122.5
397C26.4Very low27.9Very low118 Ų118128.2 Ų128.280%0.79780%0.795SS**  10.7138116.6-75.80000122.8
398L31.7Very low28.8Very low164 Ų164129.1 Ų129.186%0.85979%0.792SS**  trans78.4110.9136.8-67.8172.5000122.5
399T24.4Very low29Very low151 Ų151124.6 Ų124.693%0.92678%0.779SS**  trans-157.3161.9135.432.20000106.9
400G27.1Very low28.7Very low64 Ų64127.7 Ų127.766%0.6679%0.789SS**  cis153.3113.9-8.600000111.1
401E27.7Very low29Very low190 Ų190127.7 Ų127.789%0.88879%0.789SS**  trans63.9166.4166.6-66.6-157.266.100117.8
402S30.9Very low29.7Very low103 Ų103125.2 Ų125.272%0.7279%0.789SS**  cis-159.7157.9-27.4-96.40000108.5
403G27.3Very low29.8Very low76 Ų76125.2 Ų125.278%0.78480%0.796SS**  trans177110.5175.400000115.5
404N29.8Very low30.1Very low169 Ų169126.6 Ų126.690%0.90479%0.792SS**  trans-103.8155.9-178.1-64.3-36.4000112.6
405A29.1Very low30.6Very low100 Ų100124 Ų12483%0.82679%0.79SS**  trans-168152.9141.500000113.1
406A28.9Very low31Very low106 Ų106124.8 Ų124.888%0.87679%0.789SS**  trans68.795.4160.900000120
407D29.2Very low31.3Very low134 Ų134125.8 Ų125.872%0.71779%0.794SS**  trans-105.9164.1145.4-176.228.8000107.7S409D407-S409 PolarHBondContact OD1-N 3.02Å; D407-S409 VanDerWaalsContact OD1-N 3.14Å; D407-S409 PolarHBondContact OD2-N 3.44Å; D407-S409 VanDerWaalsContact OD2-N 3.14Å
408P45.8Very low31.7Very low123 Ų123127.3 Ų127.380%0.79980%0.795SS**  -148.5117.1106.634.7-16.2000116.9
409S30.2Very low31.9Very low81 Ų81125 Ų12557%0.56678%0.783SS**  trans-1.1139.2137.1-174.70000120.6D407D407-S409 PolarHBondContact OD1-N 3.02Å; D407-S409 VanDerWaalsContact OD1-N 3.14Å; D407-S409 PolarHBondContact OD2-N 3.44Å; D407-S409 VanDerWaalsContact OD2-N 3.14Å
410I31.9Very low32.7Very low164 Ų164124.6 Ų124.684%0.84178%0.775SS**  -163152.2126.1-101.5157.8000110.6
411T31.9Very low33.3Very low122 Ų122128.9 Ų128.975%0.74878%0.776SS**  trans-141.5-179.8179.663.40000109.8
412P39.6Very low33.9Very low130 Ų130126.5 Ų126.584%0.84477%0.769SS**  cis-119.9178.7-25.838.8-25.8000112.2
413G27.4Very low34.6Very low76 Ų76126 Ų12678%0.78476%0.763SS**  trans-177.6100.5168.900000115.6
414E35.5Very low35.8Very low176 Ų176132.3 Ų132.382%0.82277%0.769SS**  trans-82.9141.1161.8-75.7-75.6135.600109.1
415P37Very low36.9Very low115 Ų115132.4 Ų132.475%0.74776%0.762SS**  -138.7148.198.437.7-26.7000114.8
416C32.7Very low38.2Very low105 Ų105133 Ų13371%0.70976%0.759SS**  trans-64.8135.9173.3179.80000112.8
417M32.1Very low39.8Very low174 Ų174134.9 Ų134.986%0.85775%0.748SS**  trans-139.4144.7159.7-76.6-65.5157.100109.8
418D36.3Very low41.8Very low151 Ų151132 Ų13281%0.80774%0.743SS**  trans-83.8131.1-178.3-173.2-90.6000111.9
419D34.6Very low43Very low115 Ų115131.4 Ų131.462%0.61573%0.729SS**  trans-154.6104.6159.3-162.2-24.8000110.7K421D419-K421 IonicContact OD1-NZ 3.53Å; D419-K421 PolarHBondContact OD1-NZ 3.38Å; D419-K421 IonicContact OD2-NZ 2.65Å; D419-K421 PolarHBondContact OD2-NZ 3Å
420N41.7Very low45.8Very low142 Ų142130.3 Ų130.376%0.75972%0.716SS**  trans-87.7108.4177.8-171.2-25.1000111.2
421K38.8Very low48.5Very low155 Ų155128.4 Ų128.467%0.67470%0.703SS**  trans-134118.7176.4-87.1-179.1-174.177.10114.2D419 P423D419-K421 IonicContact OD1-NZ 3.53Å; D419-K421 PolarHBondContact OD1-NZ 3.38Å; D419-K421 IonicContact OD2-NZ 2.65Å; D419-K421 PolarHBondContact OD2-NZ 3Å; K421-P423 WeakPolarHBondContact O-CD 3.28Å
422D40.5Very low51.4Low140 Ų140122.6 Ų122.675%0.74967%0.668SS**  trans-56.2122.3172.9-88.3-74000113.5K424D422-K424 PolarHBondContact O-N 2.83Å
423P46.8Very low53.6Low93 Ų93120.9 Ų120.960%0.60466%0.657SS**  trans-70.6105.3168.728-32.4000109.8K421 K425K421-P423 WeakPolarHBondContact O-CD 3.28Å; P423-K425 VanDerWaalsContact C-N 3.31Å; P423-K425 PolarHBondContact O-N 3.24Å
424K51.2Low56.4Low207 Ų207119.9 Ų119.990%0.964%0.635SS**  trans-60.490.6169.6-77.1177.4178.5169.80109.8D422 S426D422-K424 PolarHBondContact O-N 2.83Å; K424-S426 PolarHBondContact O-N 2.98Å
425K53.6Low58.8Low172 Ų172112.2 Ų112.275%0.74860%0.601SS**  trans-58.489.3-174.8-76.2144.2-175.5159.80112.6P423 K427P423-K425 VanDerWaalsContact C-N 3.31Å; P423-K425 PolarHBondContact O-N 3.24Å; K425-K427 PolarHBondContact O-N 3.15Å
426S56.1Low61.2Low111 Ų111115.9 Ų115.978%0.77661%0.605SS**  trans-56.9117.1159.250.50000108K424 A428K424-S426 PolarHBondContact O-N 2.98Å; S426-A428 VanDerWaalsContact C-N 3.31Å; S426-A428 PolarHBondContact O-N 3.11Å
427K64Low63.9Low147 Ų147113.6 Ų113.664%0.63959%0.588SS**  trans-73.685.8-172.9-71.9168.8176.6174.60110K425 H429K425-K427 PolarHBondContact O-N 3.15Å; K427-H429 PolarHBondContact O-N 2.87Å; K427-H429 PolarHBondContact O-ND1 3.13Å
428A69.2Low66.6Low73 Ų73110 Ų11060%0.60358%0.576SS**  trans-57.1106.5168.100000108.8S426 L430S426-A428 VanDerWaalsContact C-N 3.31Å; S426-A428 PolarHBondContact O-N 3.11Å; A428-L430 PolarHBondContact O-N 2.94Å; A428-L430 VanDerWaalsContact O-N 3.15Å
429H71.5Confident69.3Low111 Ų111103.8 Ų103.851%0.51454%0.544SS..  trans-76.8104.2178-74.766.6000108.1K427 V439 N440K427-H429 PolarHBondContact O-N 2.87Å; K427-H429 PolarHBondContact O-ND1 3.13Å; H429-V439 CarbonylContact C-O 3.56Å; H429-V439 WeakPolarHBondContact CA-O 3.2Å; H429-N440 PolarHBondContact CE1-ND2 3.45Å; H429-N440 PolarHBondContact NE2-ND2 3.43Å
430L88.8Confident71.9Confident57 Ų57101.4 Ų101.430%0.29853%0.531SS..EExtended strand (participates in β ladder)trans-74135.4-178.2-54.5175.8000109A428 T438 V439 T442 L445A428-L430 PolarHBondContact O-N 2.94Å; A428-L430 VanDerWaalsContact O-N 3.15Å; L430-T438 WeakPolarHBondContact O-CA 3.37Å; L430-V439 HydrophobicContact CB-CG2 4.41Å; L430-V439 PolarHBondContact N-O 2.87Å; L430-V439 WeakPolarHBondContact O-CG2 3.44Å; L430-V439 PolarHBondContact O-N 3.05Å; L430-T442 HydrophobicContact CD1-CG2 3.61Å; L430-L445 HydrophobicContact CB-CB 4.45Å; L430-L445 HydrophobicContact CB-CD2 3.78Å; L430-L445 HydrophobicContact CD1-CD2 4.41Å
431H88.9Confident74.3Confident124 Ų12496.8 Ų96.857%0.57451%0.51SS*.EExtended strand (participates in β ladder)trans-109.7137.8-176.465.8-89.6000110.5P433 T438H431-P433 WeakPolarHBondContact O-CD 3.49Å; H431-T438 HydrophobicContact CB-CG2 4.1Å
432C92.5Very high76.8Confident1 Ų194.3 Ų94.31%0.00751%0.507CS..EExtended strand (participates in β ladder)trans-87.7111.5165.9175.40000108.8V434 C435 K436 V437 L445 H448 H454C432-V434 PolarHBondContact O-N 2.96Å; C432-C435 HydrophobicContact CB-CB 4.48Å; C432-C435 PolarHBondContact SG-N 3.04Å; C432-K436 WeakPolarHBondContact O-CA 3.45Å; C432-K436 PolarHBondContact O-N 3.03Å; C432-V437 PolarHBondContact N-O 3.16Å; C432-V437 PolarHBondContact O-N 3.08Å; C432-L445 HydrophobicContact CB-CD1 3.84Å; C432-H448 PolarHBondContact SG-NE2 3.04Å; C432-H454 PolarHBondContact SG-CE1 3.23Å; C432-H454 PolarHBondContact SG-ND1 3.25Å
433P86.1Confident79.2Confident94 Ų9491.1 Ų91.161%0.6150%0.496SS*.THydrogen-bonded Turntrans-66.1-37.4-179.624.9-33000112.3H431H431-P433 WeakPolarHBondContact O-CD 3.49Å
434V85.9Confident81.2Confident54 Ų5491.4 Ų91.433%0.32749%0.49SS..THydrogen-bonded Turntrans-64.9-48.1-177.6-178.10000112.2C432 M457 L458C432-V434 PolarHBondContact O-N 2.96Å; V434-M457 HydrophobicContact CG1-CB 3.84Å; V434-M457 WeakPolarHBondContact O-CE 3.48Å; V434-L458 HydrophobicContact CG1-CD2 4.46Å; V434-L458 HydrophobicContact CG1-CG 4.46Å; V434-L458 HydrophobicContact CG2-CD2 3.73Å; V434-L458 HydrophobicContact CG2-CG 4.34Å
435C87.4Confident83.2Confident16 Ų1683 Ų8311%0.10846%0.455CS..THydrogen-bonded Turntrans-96.1-7.1-177.6-70.80000114.1C432 V437 H448C432-C435 HydrophobicContact CB-CB 4.48Å; C432-C435 PolarHBondContact SG-N 3.04Å; C435-V437 VanDerWaalsContact C-N 3.26Å; C435-V437 HydrophobicContact CB-CG2 3.97Å; C435-V437 PolarHBondContact O-N 3.22Å; C435-H448 VanDerWaalsContact CB-NE2 3.32Å; C435-H448 WeakPolarHBondContact CB-NE2 3.32Å
436K86.9Confident85Confident192 Ų19281.4 Ų81.484%0.83545%0.449SS*.THydrogen-bonded Turntrans52.140-172.3-56.6-172.1-179.9-1740113.5C432C432-K436 WeakPolarHBondContact O-CA 3.45Å; C432-K436 PolarHBondContact O-N 3.03Å
437V88.4Confident86.8Confident56 Ų5679.1 Ų79.134%0.33944%0.437SS..EExtended strand (participates in β ladder)trans-107.2126.9177.3-179.60000109.6C432 C435 V439C432-V437 PolarHBondContact N-O 3.16Å; C432-V437 PolarHBondContact O-N 3.08Å; C435-V437 VanDerWaalsContact C-N 3.26Å; C435-V437 HydrophobicContact CB-CG2 3.97Å; C435-V437 PolarHBondContact O-N 3.22Å; V437-V439 HydrophobicContact CG1-CG1 4.15Å
438T89.4Confident88.2Confident98 Ų9873.9 Ų73.960%0.60142%0.415SS*.EExtended strand (participates in β ladder)trans-94.3139.5170.450.80000111L430 H431L430-T438 WeakPolarHBondContact O-CA 3.37Å; H431-T438 HydrophobicContact CB-CG2 4.1Å
439V92.6Very high89.3Confident22 Ų2273.5 Ų73.513%0.13340%0.403CS..EExtended strand (participates in β ladder)trans-135.5157.5-179.6-67.50000111.2H429 L430 V437 Q444 L445H429-V439 CarbonylContact C-O 3.56Å; H429-V439 WeakPolarHBondContact CA-O 3.2Å; L430-V439 HydrophobicContact CB-CG2 4.41Å; L430-V439 PolarHBondContact N-O 2.87Å; L430-V439 WeakPolarHBondContact O-CG2 3.44Å; L430-V439 PolarHBondContact O-N 3.05Å; V437-V439 HydrophobicContact CG1-CG1 4.15Å; V439-Q444 HydrophobicContact CB-CB 3.8Å; V439-Q444 HydrophobicContact CG1-CB 4.22Å; V439-Q444 HydrophobicContact CG2-CB 4.16Å; V439-L445 HydrophobicContact CG2-CB 3.65Å; V439-L445 HydrophobicContact CG2-CD1 4.24Å; V439-L445 HydrophobicContact CG2-CG 4.48Å
440N89.9Confident90.3Very high65 Ų6572.6 Ų72.635%0.34841%0.409SS..SBendtrans-92.5-1-167.8-160.9-107.1000113.7H429H429-N440 PolarHBondContact CE1-ND2 3.45Å; H429-N440 PolarHBondContact NE2-ND2 3.43Å
441S91.3Very high90.5Very high45 Ų4571 Ų7132%0.31541%0.406SS..SBendtrans-154.6149.5-173172.30000111.9S443 Q444 L445S441-S443 PolarHBondContact O-N 3.2Å; S441-S443 PolarHBondContact OG-N 2.83Å; S441-Q444 WeakPolarHBondContact O-CB 3.48Å; S441-Q444 PolarHBondContact O-N 3.31Å; S441-Q444 VanDerWaalsContact O-N 3.11Å; S441-L445 PolarHBondContact O-N 3.4Å; S441-L445 VanDerWaalsContact O-N 3.13Å
442T91.1Very high90.5Very high102 Ų10270.9 Ų70.963%0.62641%0.414SS*.Hα-helixtrans-50.6-51.2171.345.20000112.1L430 Q444 L445 E446L430-T442 HydrophobicContact CD1-CG2 3.61Å; T442-Q444 PolarHBondContact O-N 3.15Å; T442-L445 WeakPolarHBondContact O-CA 3.42Å; T442-L445 WeakPolarHBondContact O-CB 3.48Å; T442-L445 PolarHBondContact O-N 3.26Å; T442-E446 PolarHBondContact O-N 2.79Å
443S91.1Very high90.2Very high74 Ų7476.8 Ų76.852%0.51744%0.44SS..Hα-helixtrans-61.3-30.8179.1178.60000112.9S441 A447S441-S443 PolarHBondContact O-N 3.2Å; S441-S443 PolarHBondContact OG-N 2.83Å; S443-A447 WeakPolarHBondContact O-CB 3.36Å; S443-A447 PolarHBondContact O-N 3Å
444Q90.3Very high90.4Very high99 Ų9972.8 Ų72.846%0.46341%0.413SS..Hα-helixtrans-72.9-31.8173.5-67.3175.50.300112.3V439 S441 T442 H448V439-Q444 HydrophobicContact CB-CB 3.8Å; V439-Q444 HydrophobicContact CG1-CB 4.22Å; V439-Q444 HydrophobicContact CG2-CB 4.16Å; S441-Q444 WeakPolarHBondContact O-CB 3.48Å; S441-Q444 PolarHBondContact O-N 3.31Å; S441-Q444 VanDerWaalsContact O-N 3.11Å; T442-Q444 PolarHBondContact O-N 3.15Å; Q444-H448 VanDerWaalsContact O-CB 3.28Å; Q444-H448 WeakPolarHBondContact O-CB 3.38Å; Q444-H448 PolarHBondContact O-N 3.28Å
445L92.4Very high90.6Very high31 Ų3175.8 Ų75.816%0.16242%0.422CS..Hα-helixtrans-74.9-39.9174.6-175.557.7000110.9L430 C432 V439 S441 T442 H448 N449L430-L445 HydrophobicContact CB-CB 4.45Å; L430-L445 HydrophobicContact CB-CD2 3.78Å; L430-L445 HydrophobicContact CD1-CD2 4.41Å; C432-L445 HydrophobicContact CB-CD1 3.84Å; V439-L445 HydrophobicContact CG2-CB 3.65Å; V439-L445 HydrophobicContact CG2-CD1 4.24Å; V439-L445 HydrophobicContact CG2-CG 4.48Å; S441-L445 PolarHBondContact O-N 3.4Å; S441-L445 VanDerWaalsContact O-N 3.13Å; T442-L445 WeakPolarHBondContact O-CA 3.42Å; T442-L445 WeakPolarHBondContact O-CB 3.48Å; T442-L445 PolarHBondContact O-N 3.26Å; L445-H448 CarbonylContact O-C 3.59Å; L445-H448 WeakPolarHBondContact O-CB 3.37Å; L445-H448 PolarHBondContact O-N 3.13Å; L445-H448 VanDerWaalsContact O-N 3.17Å; L445-N449 WeakPolarHBondContact CD1-OD1 3.39Å; L445-N449 WeakPolarHBondContact O-CB 3.32Å; L445-N449 PolarHBondContact O-N 2.93Å; L445-N449 PolarHBondContact O-OD1 3.48Å
446E90.4Very high90.7Very high137 Ų13778.9 Ų78.964%0.6444%0.437SS*.Hα-helixtrans-63.5-44.8175.3-171.4178.2-165.300111.9T442 H448 N449 S450T442-E446 PolarHBondContact O-N 2.79Å; E446-H448 VanDerWaalsContact C-N 3.27Å; E446-H448 PolarHBondContact O-N 3.4Å; E446-N449 PolarHBondContact O-N 3.4Å; E446-S450 WeakPolarHBondContact O-CB 3.07Å; E446-S450 PolarHBondContact O-N 3.3Å; E446-S450 PolarHBondContact O-OG 3.17Å
447A94Very high90.6Very high63 Ų6372.8 Ų72.852%0.52141%0.412SS..Hα-helixtrans-65.5-27.7172.200000113S443 S450 G451S443-A447 WeakPolarHBondContact O-CB 3.36Å; S443-A447 PolarHBondContact O-N 3Å; A447-S450 WeakPolarHBondContact CA-OG 3.43Å; A447-G451 PolarHBondContact O-N 3.4Å
448H93.8Very high90.3Very high38 Ų3875.1 Ų75.118%0.17642%0.422CS..Hα-helixtrans-72.5-48.6171.3176.585.7000111.2C432 C435 Q444 L445 E446 G451 H454C432-H448 PolarHBondContact SG-NE2 3.04Å; C435-H448 VanDerWaalsContact CB-NE2 3.32Å; C435-H448 WeakPolarHBondContact CB-NE2 3.32Å; Q444-H448 VanDerWaalsContact O-CB 3.28Å; Q444-H448 WeakPolarHBondContact O-CB 3.38Å; Q444-H448 PolarHBondContact O-N 3.28Å; L445-H448 CarbonylContact O-C 3.59Å; L445-H448 WeakPolarHBondContact O-CB 3.37Å; L445-H448 PolarHBondContact O-N 3.13Å; L445-H448 VanDerWaalsContact O-N 3.17Å; E446-H448 VanDerWaalsContact C-N 3.27Å; E446-H448 PolarHBondContact O-N 3.4Å; H448-G451 WeakPolarHBondContact O-CA 3.41Å; H448-G451 PolarHBondContact O-N 3.14Å; H448-H454 AromaticContact CD2-CG 4Å; H448-H454 AromaticContact CD2-ND1 3.28Å; H448-H454 PolarHBondContact CD2-ND1 3.14Å; H448-H454 VanDerWaalsContact CD2-ND1 3.28Å; H448-H454 AromaticContact NE2-CG 3.95Å; H448-H454 AromaticContact NE2-ND1 3.2Å; H448-H454 PolarHBondContact NE2-ND1 2.72Å; H448-H454 VanDerWaalsContact NE2-ND1 3.2Å; H448-H454 WeakPolarHBondContact O-CB 3.21Å
449N92.2Very high90Very high65 Ų6574.6 Ų74.635%0.34842%0.415SS..Hα-helixtrans-66.5-40-175.5-68.1-4.9000112.2L445 E446 G451 H454L445-N449 WeakPolarHBondContact CD1-OD1 3.39Å; L445-N449 WeakPolarHBondContact O-CB 3.32Å; L445-N449 PolarHBondContact O-N 2.93Å; L445-N449 PolarHBondContact O-OD1 3.48Å; E446-N449 PolarHBondContact O-N 3.4Å; N449-G451 PolarHBondContact O-N 3.35Å; N449-H454 PolarHBondContact O-CD2 3.32Å; N449-H454 PolarHBondContact OD1-CE1 3.47Å
450S92.6Very high88.9Confident92 Ų9276.6 Ų76.664%0.64344%0.441SS*.THydrogen-bonded Turntrans-72.9-10.917156.90000113.7E446 A447E446-S450 WeakPolarHBondContact O-CB 3.07Å; E446-S450 PolarHBondContact O-N 3.3Å; E446-S450 PolarHBondContact O-OG 3.17Å; A447-S450 WeakPolarHBondContact CA-OG 3.43Å
451G92.6Very high87.6Confident23 Ų2379.5 Ų79.524%0.23745%0.452CS..SBendtrans-69.6137.6179.200000112.8A447 H448 N449 K453 H454 K455A447-G451 PolarHBondContact O-N 3.4Å; H448-G451 WeakPolarHBondContact O-CA 3.41Å; H448-G451 PolarHBondContact O-N 3.14Å; N449-G451 PolarHBondContact O-N 3.35Å; G451-K453 PolarHBondContact O-N 2.89Å; G451-K453 VanDerWaalsContact O-N 3.09Å; G451-H454 WeakPolarHBondContact O-CB 3.46Å; G451-H454 PolarHBondContact O-N 3.23Å; G451-K455 PolarHBondContact O-N 3.47Å
452T89.3Confident85.6Confident121 Ų12181.6 Ų81.674%0.74247%0.466SS*.Hα-helixtrans-54.8-33.5-176.952.90000114.2L456T452-L456 WeakPolarHBondContact O-CB 3.25Å; T452-L456 VanDerWaalsContact O-CG 3.31Å; T452-L456 WeakPolarHBondContact O-CG 3.48Å; T452-L456 PolarHBondContact O-N 3.12Å
453K86.5Confident83.7Confident125 Ų12582 Ų8254%0.54347%0.468SS..Hα-helixtrans-65.5-40.2174.5-176.7-173175-61.20112.4G451 M457G451-K453 PolarHBondContact O-N 2.89Å; G451-K453 VanDerWaalsContact O-N 3.09Å; K453-M457 PolarHBondContact NZ-SD 3.26Å; K453-M457 WeakPolarHBondContact O-CG 3.45Å; K453-M457 PolarHBondContact O-N 3.32Å
454H91.4Very high81.4Confident10 Ų1084.3 Ų84.35%0.04647%0.474CS..Hα-helixtrans-72-47.3177.6179106.7000110.1C432 H448 N449 G451 L456 M457 L458C432-H454 PolarHBondContact SG-CE1 3.23Å; C432-H454 PolarHBondContact SG-ND1 3.25Å; H448-H454 AromaticContact CD2-CG 4Å; H448-H454 AromaticContact CD2-ND1 3.28Å; H448-H454 PolarHBondContact CD2-ND1 3.14Å; H448-H454 VanDerWaalsContact CD2-ND1 3.28Å; H448-H454 AromaticContact NE2-CG 3.95Å; H448-H454 AromaticContact NE2-ND1 3.2Å; H448-H454 PolarHBondContact NE2-ND1 2.72Å; H448-H454 VanDerWaalsContact NE2-ND1 3.2Å; H448-H454 WeakPolarHBondContact O-CB 3.21Å; N449-H454 PolarHBondContact O-CD2 3.32Å; N449-H454 PolarHBondContact OD1-CE1 3.47Å; G451-H454 WeakPolarHBondContact O-CB 3.46Å; G451-H454 PolarHBondContact O-N 3.23Å; H454-L456 VanDerWaalsContact C-N 3.34Å; H454-L456 PolarHBondContact O-N 3.2Å; H454-M457 CarbonylContact O-C 3.45Å; H454-M457 WeakPolarHBondContact O-CA 3.42Å; H454-M457 WeakPolarHBondContact O-CB 3.33Å; H454-M457 PolarHBondContact O-N 3.19Å; H454-L458 WeakPolarHBondContact NE2-CD1 3.31Å; H454-L458 PolarHBondContact O-N 2.89Å
455K89.9Confident79.8Confident118 Ų11885.8 Ų85.851%0.51349%0.493SS..Hα-helixtrans-54.9-47177.7178.2163.4-177.6170.90112.3G451 M457 L458 D459G451-K455 PolarHBondContact O-N 3.47Å; K455-M457 VanDerWaalsContact C-N 3.26Å; K455-M457 PolarHBondContact O-N 2.96Å; K455-L458 PolarHBondContact O-N 3.09Å; K455-L458 VanDerWaalsContact O-N 3.08Å; K455-D459 WeakPolarHBondContact CE-OD2 3Å; K455-D459 VanDerWaalsContact CG-OD2 3.22Å; K455-D459 WeakPolarHBondContact CG-OD2 3.22Å; K455-D459 WeakPolarHBondContact O-CB 3.35Å; K455-D459 PolarHBondContact O-N 3.03Å
456L88.8Confident77.3Confident81 Ų8194.4 Ų94.442%0.42452%0.523SS..Hα-helixtrans-60.7-33.1175.1-73.4168.2000113.2T452 H454 H461T452-L456 WeakPolarHBondContact O-CB 3.25Å; T452-L456 VanDerWaalsContact O-CG 3.31Å; T452-L456 WeakPolarHBondContact O-CG 3.48Å; T452-L456 PolarHBondContact O-N 3.12Å; H454-L456 VanDerWaalsContact C-N 3.34Å; H454-L456 PolarHBondContact O-N 3.2Å; L456-H461 HydrophobicContact CD2-CB 4.25Å; L456-H461 CarbonylContact O-C 3.59Å; L456-H461 WeakPolarHBondContact O-CA 3.39Å; L456-H461 WeakPolarHBondContact O-CB 3.5Å; L456-H461 PolarHBondContact O-N 3.24Å; L456-H461 VanDerWaalsContact O-N 3.14Å
457M84.6Confident75.2Confident64 Ų6499 Ų9932%0.31553%0.534SS..Hα-helixtrans-77-24.6175.4-70.1-178.360.900113.5V434 K453 H454 K455 V463V434-M457 HydrophobicContact CG1-CB 3.84Å; V434-M457 WeakPolarHBondContact O-CE 3.48Å; K453-M457 PolarHBondContact NZ-SD 3.26Å; K453-M457 WeakPolarHBondContact O-CG 3.45Å; K453-M457 PolarHBondContact O-N 3.32Å; H454-M457 CarbonylContact O-C 3.45Å; H454-M457 WeakPolarHBondContact O-CA 3.42Å; H454-M457 WeakPolarHBondContact O-CB 3.33Å; H454-M457 PolarHBondContact O-N 3.19Å; K455-M457 VanDerWaalsContact C-N 3.26Å; K455-M457 PolarHBondContact O-N 2.96Å; M457-V463 HydrophobicContact CG-CG2 4.29Å
458L83Confident72.9Confident105 Ų105105.7 Ų105.755%0.5555%0.546SS..Hα-helixtrans-76.9-44.1169.9-90.4-178.7000112.3V434 H454 K455 G460V434-L458 HydrophobicContact CG1-CD2 4.46Å; V434-L458 HydrophobicContact CG1-CG 4.46Å; V434-L458 HydrophobicContact CG2-CD2 3.73Å; V434-L458 HydrophobicContact CG2-CG 4.34Å; H454-L458 WeakPolarHBondContact NE2-CD1 3.31Å; H454-L458 PolarHBondContact O-N 2.89Å; K455-L458 PolarHBondContact O-N 3.09Å; K455-L458 VanDerWaalsContact O-N 3.08Å; L458-G460 PolarHBondContact O-N 3.39Å
459D82.4Confident70.3Confident86 Ų86107 Ų10746%0.4657%0.571SS.*THydrogen-bonded Turntrans-69.121-177.3-64.8-16.1000112.8K455 H461K455-D459 WeakPolarHBondContact CE-OD2 3Å; K455-D459 VanDerWaalsContact CG-OD2 3.22Å; K455-D459 WeakPolarHBondContact CG-OD2 3.22Å; K455-D459 WeakPolarHBondContact O-CB 3.35Å; K455-D459 PolarHBondContact O-N 3.03Å; D459-H461 PolarHBondContact O-N 2.89Å; D459-H461 PolarHBondContact O-ND1 3.14Å
460G69.8Low68.2Low65 Ų65113.3 Ų113.367%0.6760%0.595SS**THydrogen-bonded Turntrans67.5-1.9-178.400000115.6L458 S462L458-G460 PolarHBondContact O-N 3.39Å; G460-S462 PolarHBondContact O-N 2.97Å
461H61.4Low65.6Low126 Ų126116 Ų11658%0.58361%0.607SS**  trans-77.574.7-176.8-72.663.9000110.7L456 D459 V463L456-H461 HydrophobicContact CD2-CB 4.25Å; L456-H461 CarbonylContact O-C 3.59Å; L456-H461 WeakPolarHBondContact O-CA 3.39Å; L456-H461 WeakPolarHBondContact O-CB 3.5Å; L456-H461 PolarHBondContact O-N 3.24Å; L456-H461 VanDerWaalsContact O-N 3.14Å; D459-H461 PolarHBondContact O-N 2.89Å; D459-H461 PolarHBondContact O-ND1 3.14Å; H461-V463 PolarHBondContact O-N 3.08Å; H461-V463 VanDerWaalsContact O-N 3.13Å
462S49.5Very low63.3Low88 Ų88120.9 Ų120.962%0.61563%0.632SS**  trans-51.9119.5179.269.40000111G460 L464G460-S462 PolarHBondContact O-N 2.97Å; S462-L464 PolarHBondContact O-N 2.94Å
463V52Low60.7Low110 Ų110120 Ų12067%0.66764%0.638SS**  trans-80.755179.6-167.40000109.6M457 H461M457-V463 HydrophobicContact CG-CG2 4.29Å; H461-V463 PolarHBondContact O-N 3.08Å; H461-V463 VanDerWaalsContact O-N 3.13Å
464L43.3Very low58.4Low123 Ų123118.4 Ų118.464%0.64465%0.647SS**  trans-80.6131.6170-65.8-177.3000109.1S462 R466S462-L464 PolarHBondContact O-N 2.94Å; L464-R466 PolarHBondContact O-N 3.28Å
465P55Low56.4Low131 Ų131129.4 Ų129.485%0.85169%0.688SS**  trans-7768.5-178.332.5-36.3000111.2R467P465-R467 PolarHBondContact O-N 3.14Å
466R41.5Very low53.7Low211 Ų211130.1 Ų130.180%0.79671%0.708SS**  trans-70.3126.2-173.3-120.4-175.2-170.9-95.33.2112.5L464L464-R466 PolarHBondContact O-N 3.28Å
467R44.8Very low51.6Low233 Ų233130.1 Ų130.188%0.87973%0.728SS**  trans-73167.3153.4-69.7-174.7178.8-170.92.2109.9P465P465-R467 PolarHBondContact O-N 3.14Å
468R46Very low49.3Very low204 Ų204133.4 Ų133.477%0.7776%0.755SS**  trans-35.9143.3177.9-149.7175.3-166.3-122.612.5115.2E502R468-E502 IonicContact CZ-OE1 3.69Å; R468-E502 IonicContact CZ-OE2 3.92Å; R468-E502 IonicContact NE-OE1 3.57Å; R468-E502 IonicContact NE-OE2 3.42Å; R468-E502 PolarHBondContact NE-OE2 3.35Å; R468-E502 VanDerWaalsContact NE-OE2 3.08Å; R468-E502 IonicContact NH2-OE1 2.77Å; R468-E502 PolarHBondContact NH2-OE1 2.9Å; R468-E502 IonicContact NH2-OE2 2.89Å; R468-E502 PolarHBondContact NH2-OE2 3.39Å
469G38.8Very low47.3Very low67 Ų67138.1 Ų138.169%0.69177%0.771SS**  trans167.7131.9169.800000110.8
470K48.9Very low45.3Very low196 Ų196139.9 Ų139.985%0.85279%0.791SS**  trans-129.2123.4-166.2172.1-170.3173.5-173.20111.6
471V37.8Very low44.1Very low148 Ų148146.7 Ų146.790%0.89780%0.802SS**  trans-142.1158.4158.3178.30000107.7
472V44.8Very low42.9Very low127 Ų127151.5 Ų151.577%0.7782%0.815SS**  trans-98.2142.1-170.7177.80000112.2
473A35.5Very low42.5Very low103 Ų103156 Ų15685%0.85183%0.831SS**  trans-155.5163.8158.300000109.3
474A36.5Very low41.9Very low90 Ų90154 Ų15474%0.74483%0.833SS**  trans-128.6160.3-158.500000116.6
475R50.6Low41.9Very low241 Ų241154.4 Ų154.491%0.90984%0.841SS**  trans36.3111.6154.1-64.9-179.9-178.3-172.22.1119.7
476S31.7Very low41.7Very low134 Ų134158.2 Ų158.294%0.93784%0.844SS**  -168164.2122.338.30000108.7
477G44.9Very low41.7Very low81 Ų81152 Ų15284%0.83585%0.845SS**  trans-149.9165.7-169.500000114.7
478C37.7Very low41.6Very low132 Ų132146.7 Ų146.789%0.89284%0.844SS**  trans-140.5157173.8-161.40000112.9
479K41.4Very low41.7Very low204 Ų204143.4 Ų143.489%0.88785%0.846SS**  trans-75.9150.9-161.1-60.9146.5179.7171.40113.1
480S39.5Very low42.2Very low124 Ų124143.8 Ų143.887%0.86785%0.85SS**  trans-142.2145.3149.3-169.10000110.2
481K43.9Very low42.3Very low207 Ų207140.2 Ų140.290%0.985%0.845SS**  trans-74.1136.7-166.2-69.3-179.6176.1179.60112.4
482R37.6Very low42.7Very low227 Ų227138.1 Ų138.186%0.85783%0.834SS**  trans-93131.4160.2-89.6-167.4-179.6-133.36110.7
483L41.3Very low43Very low182 Ų182137 Ų13795%0.95383%0.832SS**  trans-139134.8143.4-64.3174.8000105.5
484G38.3Very low44.2Very low70 Ų70139.4 Ų139.472%0.72282%0.823SS**  cis178.495.1-7.100000110.1
485T42.6Very low45.6Very low130 Ų130141.3 Ų141.380%0.79882%0.821SS**  trans-150.9131.7175.7-42.60000108.8
486K51.1Low47Very low211 Ų211132.1 Ų132.192%0.91779%0.788SS**  trans-96.2156.3-176.6-65.2-177.8178.1-178.70110.9
487G41.1Very low49.6Very low80 Ų80129.9 Ų129.983%0.82576%0.762SS**  trans110.172.3155.200000117.9
488S43Very low51.8Low123 Ų123126.1 Ų126.186%0.8672%0.723SS**  trans-160.4148.5134.157.10000111
489V48.1Very low54.1Low134 Ų134127.8 Ų127.881%0.81272%0.718SS**  trans-65.9145.9-174177.70000111.4V491V489-V491 PolarHBondContact O-N 2.83Å
490G49.2Very low56.1Low75 Ų75121.4 Ų121.477%0.77370%0.696SS**  trans-67.5115.4175.800000112.2
491V52.6Low58.3Low121 Ų121116.2 Ų116.273%0.73366%0.659SS**  trans-99.3129.6165.9179.90000107.7V489 S493V489-V491 PolarHBondContact O-N 2.83Å; V491-S493 PolarHBondContact O-N 2.84Å
492P45.3Very low60.2Low104 Ų104111.8 Ų111.868%0.67564%0.642SS**  trans-59.5123.1175.624.9-33.3000109.5K494P492-K494 VanDerWaalsContact C-N 3.28Å; P492-K494 PolarHBondContact O-N 2.84Å
493S50.5Low62.5Low103 Ų103104.6 Ų104.672%0.7262%0.62SS**  trans-74.583.3-174.659.10000110.3V491 N495V491-S493 PolarHBondContact O-N 2.84Å; S493-N495 PolarHBondContact O-N 2.9Å; S493-N495 VanDerWaalsContact O-N 3.12Å
494K60.4Low64.8Low154 Ų154102.1 Ų102.167%0.6760%0.602SS**  trans-49.5118.8167.2-59.7-179.2-175.2-1800107.5P492 F496P492-K494 VanDerWaalsContact C-N 3.28Å; P492-K494 PolarHBondContact O-N 2.84Å; K494-F496 HydrophobicContact CB-CE1 4.45Å; K494-F496 HydrophobicContact CB-CE2 4.28Å; K494-F496 HydrophobicContact CB-CZ 4.11Å; K494-F496 WeakPolarHBondContact O-CD2 3.2Å; K494-F496 WeakPolarHBondContact O-CE2 3.43Å; K494-F496 PolarHBondContact O-N 3.13Å
495N67.4Low67.2Low130 Ų130100.7 Ų100.770%0.69558%0.579SS**  trans-71.894.3-178.4-75.6-46.7000108.9S493 Q497 F504S493-N495 PolarHBondContact O-N 2.9Å; S493-N495 VanDerWaalsContact O-N 3.12Å; N495-Q497 VanDerWaalsContact C-N 3.32Å; N495-Q497 PolarHBondContact O-N 2.81Å; N495-F504 HydrophobicContact CB-CD1 4.43Å
496F78.9Confident69.2Low49 Ų49101.7 Ų101.722%0.21558%0.579CS.*EExtended strand (participates in β ladder)trans-67.589.5-178.7-66-75.5000110.1K494 V505 E508 L511K494-F496 HydrophobicContact CB-CE1 4.45Å; K494-F496 HydrophobicContact CB-CE2 4.28Å; K494-F496 HydrophobicContact CB-CZ 4.11Å; K494-F496 WeakPolarHBondContact O-CD2 3.2Å; K494-F496 WeakPolarHBondContact O-CE2 3.43Å; K494-F496 PolarHBondContact O-N 3.13Å; F496-V505 WeakPolarHBondContact O-CG2 3.41Å; F496-V505 PolarHBondContact O-N 3.49Å; F496-E508 HydrophobicContact CD1-CB 3.91Å; F496-E508 HydrophobicContact CD1-CG 4.01Å; F496-E508 HydrophobicContact CD2-CB 4.45Å; F496-E508 HydrophobicContact CE1-CB 3.5Å; F496-E508 HydrophobicContact CE1-CG 3.56Å; F496-E508 HydrophobicContact CE2-CB 4.1Å; F496-E508 HydrophobicContact CG-CB 4.37Å; F496-E508 HydrophobicContact CZ-CB 3.61Å; F496-E508 HydrophobicContact CZ-CG 4.11Å; F496-L511 HydrophobicContact CB-CB 4.02Å; F496-L511 HydrophobicContact CB-CD2 3.93Å; F496-L511 HydrophobicContact CB-CG 4.49Å; F496-L511 HydrophobicContact CD1-CD2 4.2Å
497Q87.6Confident71.1Confident86 Ų8693.4 Ų93.440%0.40255%0.548SS..EExtended strand (participates in β ladder)trans-104.7137.8-175.6-175.2-175.7-1900110.8N495 I503 F504N495-Q497 VanDerWaalsContact C-N 3.32Å; N495-Q497 PolarHBondContact O-N 2.81Å; Q497-I503 CarbonylContact C-O 3.48Å; Q497-I503 WeakPolarHBondContact CA-O 3.19Å; Q497-F504 HydrophobicContact CB-CD1 3.84Å; Q497-F504 HydrophobicContact CB-CE1 3.87Å; Q497-F504 VanDerWaalsContact CD-CE1 3.41Å; Q497-F504 HydrophobicContact CG-CD1 3.91Å; Q497-F504 HydrophobicContact CG-CE1 3.7Å; Q497-F504 HydrophobicContact CG-CE2 4.34Å; Q497-F504 HydrophobicContact CG-CG 4.33Å; Q497-F504 HydrophobicContact CG-CZ 3.92Å
498C89.6Confident73.5Confident3 Ų395.2 Ų95.22%0.0254%0.535CS..EExtended strand (participates in β ladder)trans-89.8115.7160.5-1760000109.8C501 E502 I503 L511 H514 M515 H520C498-C501 HydrophobicContact CB-CB 4.11Å; C498-C501 VanDerWaalsContact SG-CB 3.58Å; C498-C501 PolarHBondContact SG-N 2.81Å; C498-C501 VanDerWaalsContact SG-N 3.43Å; C498-E502 VanDerWaalsContact O-CA 3.27Å; C498-E502 WeakPolarHBondContact O-CA 3.31Å; C498-E502 PolarHBondContact O-N 3.13Å; C498-I503 HydrophobicContact CB-CB 4.46Å; C498-I503 PolarHBondContact N-O 2.78Å; C498-I503 PolarHBondContact O-N 3.01Å; C498-L511 HydrophobicContact CB-CD1 3.96Å; C498-H514 VanDerWaalsContact CB-CD2 3.48Å; C498-H514 WeakPolarHBondContact CB-CD2 3.4Å; C498-H514 WeakPolarHBondContact CB-NE2 3.48Å; C498-M515 HydrophobicContact CB-CE 3.66Å; C498-M515 WeakPolarHBondContact SG-CE 3.23Å; C498-H520 PolarHBondContact SG-CE1 2.79Å; C498-H520 PolarHBondContact SG-ND1 3.34Å
499E86Confident75.8Confident167 Ų16793.4 Ų93.478%0.7852%0.519SS*.THydrogen-bonded Turntrans-68.4-50.8176.7-166.8154-137.500111.6C501 E502E499-C501 PolarHBondContact O-N 3.01Å; E499-E502 PolarHBondContact O-N 3.43Å; E499-E502 VanDerWaalsContact O-N 3.12Å
500V84.6Confident77.7Confident69 Ų6990.9 Ų90.942%0.41850%0.498SS..THydrogen-bonded Turntrans-55.3-20.1177.9-175.50000114.3R523 L524V500-R523 HydrophobicContact CG1-CB 4.1Å; V500-L524 HydrophobicContact CG1-CD2 4.08Å; V500-L524 HydrophobicContact CG1-CG 4.35Å; V500-L524 HydrophobicContact CG2-CD2 3.89Å
501C85.9Confident79.8Confident15 Ų1588.5 Ų88.510%0.10147%0.468CS..THydrogen-bonded Turntrans-120.1-8.8-179.5-61.90000114.5C498 E499 I503 H514 R523C498-C501 HydrophobicContact CB-CB 4.11Å; C498-C501 VanDerWaalsContact SG-CB 3.58Å; C498-C501 PolarHBondContact SG-N 2.81Å; C498-C501 VanDerWaalsContact SG-N 3.43Å; E499-C501 PolarHBondContact O-N 3.01Å; C501-I503 HydrophobicContact CB-CB 4.41Å; C501-I503 HydrophobicContact CB-CD1 4.01Å; C501-I503 HydrophobicContact CB-CG1 3.91Å; C501-I503 PolarHBondContact O-N 2.82Å; C501-H514 WeakPolarHBondContact CB-NE2 3.33Å; C501-H514 PolarHBondContact SG-CE1 3.4Å; C501-R523 WeakPolarHBondContact SG-CD 3.5Å
502E83.9Confident81.7Confident114 Ų11485.4 Ų85.453%0.53345%0.451SS..THydrogen-bonded Turntrans50.240.4-168-64.8178-136.600113.1R468 C498 E499R468-E502 IonicContact CZ-OE1 3.69Å; R468-E502 IonicContact CZ-OE2 3.92Å; R468-E502 IonicContact NE-OE1 3.57Å; R468-E502 IonicContact NE-OE2 3.42Å; R468-E502 PolarHBondContact NE-OE2 3.35Å; R468-E502 VanDerWaalsContact NE-OE2 3.08Å; R468-E502 IonicContact NH2-OE1 2.77Å; R468-E502 PolarHBondContact NH2-OE1 2.9Å; R468-E502 IonicContact NH2-OE2 2.89Å; R468-E502 PolarHBondContact NH2-OE2 3.39Å; C498-E502 VanDerWaalsContact O-CA 3.27Å; C498-E502 WeakPolarHBondContact O-CA 3.31Å; C498-E502 PolarHBondContact O-N 3.13Å; E499-E502 PolarHBondContact O-N 3.43Å; E499-E502 VanDerWaalsContact O-N 3.12Å
503I85.6Confident83.9Confident77 Ų7787.1 Ų87.140%0.39545%0.45SS..EExtended strand (participates in β ladder)trans-110.2119.4-179.8-62.2-178.5000110.3Q497 C498 C501Q497-I503 CarbonylContact C-O 3.48Å; Q497-I503 WeakPolarHBondContact CA-O 3.19Å; C498-I503 HydrophobicContact CB-CB 4.46Å; C498-I503 PolarHBondContact N-O 2.78Å; C498-I503 PolarHBondContact O-N 3.01Å; C501-I503 HydrophobicContact CB-CB 4.41Å; C501-I503 HydrophobicContact CB-CD1 4.01Å; C501-I503 HydrophobicContact CB-CG1 3.91Å; C501-I503 PolarHBondContact O-N 2.82Å
504F88.2Confident86Confident130 Ų13083.4 Ų83.457%0.5742%0.422SS*.EExtended strand (participates in β ladder)trans-86.6136.2167.3-61.8-92.9000110N495 Q497N495-F504 HydrophobicContact CB-CD1 4.43Å; Q497-F504 HydrophobicContact CB-CD1 3.84Å; Q497-F504 HydrophobicContact CB-CE1 3.87Å; Q497-F504 VanDerWaalsContact CD-CE1 3.41Å; Q497-F504 HydrophobicContact CG-CD1 3.91Å; Q497-F504 HydrophobicContact CG-CE1 3.7Å; Q497-F504 HydrophobicContact CG-CE2 4.34Å; Q497-F504 HydrophobicContact CG-CG 4.33Å; Q497-F504 HydrophobicContact CG-CZ 3.92Å
505V90Very high87.5Confident40 Ų4079 Ų7924%0.24240%0.404CS..EExtended strand (participates in β ladder)trans-132.3152.4176.4-1070000110.6F496 S507 Q510 L511F496-V505 WeakPolarHBondContact O-CG2 3.41Å; F496-V505 PolarHBondContact O-N 3.49Å; V505-S507 PolarHBondContact O-N 2.63Å; V505-Q510 HydrophobicContact CB-CB 3.84Å; V505-Q510 HydrophobicContact CG1-CB 3.76Å; V505-L511 HydrophobicContact CG2-CB 3.87Å; V505-L511 HydrophobicContact CG2-CD1 3.86Å
506N85.3Confident88.8Confident150 Ų15079.4 Ų79.480%0.80241%0.406SS*.SBendtrans-84.7-10.5-165.1-178-110.4000113.8Q510N506-Q510 VanDerWaalsContact N-OE1 3.07Å
507S90.5Very high89.4Confident38 Ų3878.6 Ų78.627%0.26641%0.406SS..SBendtrans-144.3145.6178.5173.20000110.3V505 T509 Q510 L511V505-S507 PolarHBondContact O-N 2.63Å; S507-T509 PolarHBondContact O-N 2.99Å; S507-T509 PolarHBondContact OG-N 3.14Å; S507-T509 PolarHBondContact OG-OG1 3.47Å; S507-Q510 WeakPolarHBondContact O-CA 3.33Å; S507-Q510 WeakPolarHBondContact O-CB 3.35Å; S507-Q510 PolarHBondContact O-N 3.06Å; S507-L511 PolarHBondContact O-N 3.45Å
508E90.5Very high89.5Confident117 Ų11783.9 Ų83.955%0.54742%0.423SS..Hα-helixtrans-47.6-41.7169.2-161.2171.5150.200112.4F496 Q510 L511 S512F496-E508 HydrophobicContact CD1-CB 3.91Å; F496-E508 HydrophobicContact CD1-CG 4.01Å; F496-E508 HydrophobicContact CD2-CB 4.45Å; F496-E508 HydrophobicContact CE1-CB 3.5Å; F496-E508 HydrophobicContact CE1-CG 3.56Å; F496-E508 HydrophobicContact CE2-CB 4.1Å; F496-E508 HydrophobicContact CG-CB 4.37Å; F496-E508 HydrophobicContact CZ-CB 3.61Å; F496-E508 HydrophobicContact CZ-CG 4.11Å; E508-Q510 VanDerWaalsContact C-N 3.26Å; E508-Q510 PolarHBondContact O-N 3.27Å; E508-L511 CarbonylContact O-C 3.59Å; E508-L511 PolarHBondContact O-N 3.1Å; E508-L511 VanDerWaalsContact O-N 3.1Å; E508-S512 PolarHBondContact O-N 3.07Å; E508-S512 PolarHBondContact O-OG 3.2Å
509T91.6Very high89.3Confident85 Ų8593.7 Ų93.752%0.52146%0.459SS..Hα-helixtrans-61.6-33.1177.863.50000113S507 Q513S507-T509 PolarHBondContact O-N 2.99Å; S507-T509 PolarHBondContact OG-N 3.14Å; S507-T509 PolarHBondContact OG-OG1 3.47Å; T509-Q513 WeakPolarHBondContact O-CB 3.37Å; T509-Q513 WeakPolarHBondContact O-CG 3.42Å; T509-Q513 PolarHBondContact O-N 3.5Å
510Q89.1Confident89.5Confident81 Ų8186.3 Ų86.338%0.37943%0.425SS..Hα-helixtrans-77.1-35.5176-61.3170.18.500111V505 N506 S507 E508 H514V505-Q510 HydrophobicContact CB-CB 3.84Å; V505-Q510 HydrophobicContact CG1-CB 3.76Å; N506-Q510 VanDerWaalsContact N-OE1 3.07Å; S507-Q510 WeakPolarHBondContact O-CA 3.33Å; S507-Q510 WeakPolarHBondContact O-CB 3.35Å; S507-Q510 PolarHBondContact O-N 3.06Å; E508-Q510 VanDerWaalsContact C-N 3.26Å; E508-Q510 PolarHBondContact O-N 3.27Å; Q510-H514 WeakPolarHBondContact O-CB 3.31Å; Q510-H514 PolarHBondContact O-N 2.77Å
511L93.2Very high89.7Confident26 Ų2690.2 Ų90.214%0.13644%0.436CS..Hα-helixtrans-65.7-47.8172.3-174.767.2000111F496 C498 V505 S507 E508 Q513 H514 M515F496-L511 HydrophobicContact CB-CB 4.02Å; F496-L511 HydrophobicContact CB-CD2 3.93Å; F496-L511 HydrophobicContact CB-CG 4.49Å; F496-L511 HydrophobicContact CD1-CD2 4.2Å; C498-L511 HydrophobicContact CB-CD1 3.96Å; V505-L511 HydrophobicContact CG2-CB 3.87Å; V505-L511 HydrophobicContact CG2-CD1 3.86Å; S507-L511 PolarHBondContact O-N 3.45Å; E508-L511 CarbonylContact O-C 3.59Å; E508-L511 PolarHBondContact O-N 3.1Å; E508-L511 VanDerWaalsContact O-N 3.1Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 2.94Å; L511-H514 CarbonylContact O-C 3.59Å; L511-H514 WeakPolarHBondContact O-CA 3.37Å; L511-H514 VanDerWaalsContact O-CB 3.31Å; L511-H514 WeakPolarHBondContact O-CB 3.36Å; L511-H514 PolarHBondContact O-N 3.41Å; L511-M515 HydrophobicContact CD1-CE 3.53Å; L511-M515 HydrophobicContact CD1-SD 4.5Å; L511-M515 HydrophobicContact CG-CE 4.11Å; L511-M515 WeakPolarHBondContact O-CG 3.49Å; L511-M515 PolarHBondContact O-N 2.8Å
512S90.5Very high89.8Confident55 Ų5592.9 Ų92.939%0.38545%0.449SS..Hα-helixtrans-63.6-36.9177.6-62.40000112.4E508 H514 M515 N516E508-S512 PolarHBondContact O-N 3.07Å; E508-S512 PolarHBondContact O-OG 3.2Å; S512-H514 VanDerWaalsContact C-N 3.3Å; S512-H514 PolarHBondContact O-N 3.05Å; S512-M515 PolarHBondContact O-N 2.91Å; S512-N516 WeakPolarHBondContact O-CB 3.46Å; S512-N516 PolarHBondContact O-N 2.9Å; S512-N516 PolarHBondContact O-ND2 2.94Å
513Q93.3Very high89.8Confident141 Ų14193.1 Ų93.166%0.65945%0.445SS*.Hα-helixtrans-66.3-31.3169.2-75.5173.338.500112.7T509 L511 S517T509-Q513 WeakPolarHBondContact O-CB 3.37Å; T509-Q513 WeakPolarHBondContact O-CG 3.42Å; T509-Q513 PolarHBondContact O-N 3.5Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 2.94Å; Q513-S517 PolarHBondContact O-N 3.2Å; Q513-S517 VanDerWaalsContact O-N 3.14Å
514H94.5Very high89.6Confident25 Ų2594.5 Ų94.512%0.11645%0.453CS..Hα-helixtrans-72.9-42.2173.2176.126.7000112.3C498 C501 Q510 L511 S512 N516 S517 H520C498-H514 VanDerWaalsContact CB-CD2 3.48Å; C498-H514 WeakPolarHBondContact CB-CD2 3.4Å; C498-H514 WeakPolarHBondContact CB-NE2 3.48Å; C501-H514 WeakPolarHBondContact CB-NE2 3.33Å; C501-H514 PolarHBondContact SG-CE1 3.4Å; Q510-H514 WeakPolarHBondContact O-CB 3.31Å; Q510-H514 PolarHBondContact O-N 2.77Å; L511-H514 CarbonylContact O-C 3.59Å; L511-H514 WeakPolarHBondContact O-CA 3.37Å; L511-H514 VanDerWaalsContact O-CB 3.31Å; L511-H514 WeakPolarHBondContact O-CB 3.36Å; L511-H514 PolarHBondContact O-N 3.41Å; S512-H514 VanDerWaalsContact C-N 3.3Å; S512-H514 PolarHBondContact O-N 3.05Å; H514-N516 VanDerWaalsContact C-N 3.35Å; H514-N516 PolarHBondContact O-N 3.28Å; H514-S517 PolarHBondContact ND1-OG 2.84Å; H514-S517 WeakPolarHBondContact O-CB 3.27Å; H514-S517 PolarHBondContact O-N 3.4Å; H514-S517 PolarHBondContact O-OG 2.98Å; H514-H520 WeakPolarHBondContact O-CB 3.37Å
515M92.2Very high89.4Confident60 Ų6091 Ų9130%0.29645%0.448SS..Hα-helixtrans-58.2-48.5174.8-61.6-50.186.200110.5C498 L511 S512 S517 H520C498-M515 HydrophobicContact CB-CE 3.66Å; C498-M515 WeakPolarHBondContact SG-CE 3.23Å; L511-M515 HydrophobicContact CD1-CE 3.53Å; L511-M515 HydrophobicContact CD1-SD 4.5Å; L511-M515 HydrophobicContact CG-CE 4.11Å; L511-M515 WeakPolarHBondContact O-CG 3.49Å; L511-M515 PolarHBondContact O-N 2.8Å; S512-M515 PolarHBondContact O-N 2.91Å; M515-S517 PolarHBondContact O-N 2.95Å; M515-H520 PolarHBondContact O-CD2 3.27Å; M515-H520 VanDerWaalsContact O-CD2 3.27Å; M515-H520 VanDerWaalsContact SD-CE1 3.52Å
516N93.1Very high88.4Confident139 Ų13992.4 Ų92.474%0.74347%0.47SS*.THydrogen-bonded Turntrans-71.2-6.2176.3-74.1-73.4000113.7S512 H514S512-N516 WeakPolarHBondContact O-CB 3.46Å; S512-N516 PolarHBondContact O-N 2.9Å; S512-N516 PolarHBondContact O-ND2 2.94Å; H514-N516 VanDerWaalsContact C-N 3.35Å; H514-N516 PolarHBondContact O-N 3.28Å
517S91.7Very high87.4Confident32 Ų3291.9 Ų91.922%0.22446%0.461CS..SBendtrans-71.7135.917780.30000110.6Q513 H514 M515 R519 H520 K521Q513-S517 PolarHBondContact O-N 3.2Å; Q513-S517 VanDerWaalsContact O-N 3.14Å; H514-S517 PolarHBondContact ND1-OG 2.84Å; H514-S517 WeakPolarHBondContact O-CB 3.27Å; H514-S517 PolarHBondContact O-N 3.4Å; H514-S517 PolarHBondContact O-OG 2.98Å; M515-S517 PolarHBondContact O-N 2.95Å; S517-R519 PolarHBondContact O-N 3.49Å; S517-H520 PolarHBondContact O-N 3.22Å; S517-H520 PolarHBondContact OG-N 3.32Å; S517-K521 PolarHBondContact O-N 3.36Å; S517-K521 VanDerWaalsContact O-N 3.13Å
518R90.1Very high85.9Confident198 Ų19895.3 Ų95.375%0.74748%0.482SS*.Hα-helixtrans-50.9-32.5174.3-177.9174.2178.2166.55.6112.8H520 K521 D522R518-H520 VanDerWaalsContact C-N 3.33Å; R518-H520 PolarHBondContact O-N 2.96Å; R518-K521 PolarHBondContact O-N 2.95Å; R518-D522 WeakPolarHBondContact CG-OD2 3.4Å; R518-D522 IonicContact NE-OD1 2.78Å; R518-D522 IonicContact NE-OD2 2.68Å; R518-D522 VanDerWaalsContact O-CB 3.23Å; R518-D522 WeakPolarHBondContact O-CB 3.15Å; R518-D522 PolarHBondContact O-N 3.15Å
519R85.2Confident84.3Confident209 Ų20994.7 Ų94.779%0.78949%0.488SS*.Hα-helixtrans-68.5-25.7178-67.6-179176.6179.5-1.6114.4S517 R523S517-R519 PolarHBondContact O-N 3.49Å; R519-R523 VanDerWaalsContact O-CD 3.31Å; R519-R523 WeakPolarHBondContact O-CD 3.38Å; R519-R523 WeakPolarHBondContact O-CG 3.48Å
520H90.6Very high82.2Confident12 Ų1299.7 Ų99.76%0.05650%0.503CS..Hα-helixtrans-82.5-47.4171.7177.790.5000109.9C498 H514 M515 S517 R518 D522 R523 L524C498-H520 PolarHBondContact SG-CE1 2.79Å; C498-H520 PolarHBondContact SG-ND1 3.34Å; H514-H520 WeakPolarHBondContact O-CB 3.37Å; M515-H520 PolarHBondContact O-CD2 3.27Å; M515-H520 VanDerWaalsContact O-CD2 3.27Å; M515-H520 VanDerWaalsContact SD-CE1 3.52Å; S517-H520 PolarHBondContact O-N 3.22Å; S517-H520 PolarHBondContact OG-N 3.32Å; R518-H520 VanDerWaalsContact C-N 3.33Å; R518-H520 PolarHBondContact O-N 2.96Å; H520-D522 VanDerWaalsContact C-N 3.32Å; H520-D522 PolarHBondContact O-N 3.12Å; H520-R523 WeakPolarHBondContact O-CA 3.47Å; H520-R523 WeakPolarHBondContact O-CB 3.36Å; H520-R523 PolarHBondContact O-N 2.9Å; H520-L524 WeakPolarHBondContact NE2-CD1 3.41Å; H520-L524 PolarHBondContact O-N 3.43Å
521K89.8Confident80.7Confident151 Ų151101.9 Ų101.966%0.65752%0.524SS*.Hα-helixtrans-59.5-38176.7-167166.8-176.5169.40113.4S517 R518 R523 L524 A525S517-K521 PolarHBondContact O-N 3.36Å; S517-K521 VanDerWaalsContact O-N 3.13Å; R518-K521 PolarHBondContact O-N 2.95Å; K521-R523 PolarHBondContact O-N 3.39Å; K521-L524 PolarHBondContact O-N 2.8Å; K521-A525 WeakPolarHBondContact O-CB 3.08Å; K521-A525 PolarHBondContact O-N 3.21Å; K521-A525 VanDerWaalsContact O-N 3.15Å
522D87.3Confident78.2Confident70 Ų70110.1 Ų110.137%0.37456%0.559SS.*Hα-helixtrans-65.7-24.5174.3-73.4-22.3000112.6R518 H520R518-D522 WeakPolarHBondContact CG-OD2 3.4Å; R518-D522 IonicContact NE-OD1 2.78Å; R518-D522 IonicContact NE-OD2 2.68Å; R518-D522 VanDerWaalsContact O-CB 3.23Å; R518-D522 WeakPolarHBondContact O-CB 3.15Å; R518-D522 PolarHBondContact O-N 3.15Å; H520-D522 VanDerWaalsContact C-N 3.32Å; H520-D522 PolarHBondContact O-N 3.12Å
523R83.3Confident76Confident119 Ų119116.7 Ų116.745%0.44958%0.581SS.*Hα-helixtrans-86.1-40.2176.3-73.4168.7168.9-115.32.1112.7V500 C501 R519 H520 K521 A525 G526V500-R523 HydrophobicContact CG1-CB 4.1Å; C501-R523 WeakPolarHBondContact SG-CD 3.5Å; R519-R523 VanDerWaalsContact O-CD 3.31Å; R519-R523 WeakPolarHBondContact O-CD 3.38Å; R519-R523 WeakPolarHBondContact O-CG 3.48Å; H520-R523 WeakPolarHBondContact O-CA 3.47Å; H520-R523 WeakPolarHBondContact O-CB 3.36Å; H520-R523 PolarHBondContact O-N 2.9Å; K521-R523 PolarHBondContact O-N 3.39Å; R523-A525 PolarHBondContact O-N 3.5Å; R523-G526 PolarHBondContact O-N 2.94Å
524L81.9Confident73.8Confident107 Ų107115.5 Ų115.556%0.5658%0.583SS**Hα-helixtrans-55.7-37170.1-76.9175.2000111.3V500 H520 K521 G526V500-L524 HydrophobicContact CG1-CD2 4.08Å; V500-L524 HydrophobicContact CG1-CG 4.35Å; V500-L524 HydrophobicContact CG2-CD2 3.89Å; H520-L524 WeakPolarHBondContact NE2-CD1 3.41Å; H520-L524 PolarHBondContact O-N 3.43Å; K521-L524 PolarHBondContact O-N 2.8Å; L524-G526 PolarHBondContact O-N 3.36Å
525A82.8Confident72Confident57 Ų57119.9 Ų119.947%0.47161%0.614SS.*THydrogen-bonded Turntrans-72.522.6177.700000114.9K521 R523 K527K521-A525 WeakPolarHBondContact O-CB 3.08Å; K521-A525 PolarHBondContact O-N 3.21Å; K521-A525 VanDerWaalsContact O-N 3.15Å; R523-A525 PolarHBondContact O-N 3.5Å; A525-K527 PolarHBondContact O-N 3.22Å
526G70.2Confident69.1Low68 Ų68123.5 Ų123.570%0.70163%0.63SS**THydrogen-bonded Turntrans65.6-0.1173.800000116.6R523 L524R523-G526 PolarHBondContact O-N 2.94Å; L524-G526 PolarHBondContact O-N 3.36Å
527K63.8Low66.1Low140 Ų140122.5 Ų122.561%0.60963%0.634SS**  trans-73.8125.1-171.9-72.5164-171177.80110A525A525-K527 PolarHBondContact O-N 3.22Å
528P59.1Low63.5Low109 Ų109128.6 Ų128.671%0.70866%0.656SS**  trans-60.2140.8-174.222.8-33.3000110.9K530P528-K530 PolarHBondContact O-N 3.49Å
529P56.6Low60.7Low104 Ų104124.4 Ų124.468%0.67566%0.658SS**  trans-66.2102.2-173.426.4-34.5000110.4
530K47.8Very low58.2Low191 Ų191122.8 Ų122.883%0.8366%0.659SS**  trans-50131.7-179.9-67.6-167.9176.8-169.90110.3P528P528-K530 PolarHBondContact O-N 3.49Å
531P57.6Low55.6Low127 Ų127127.7 Ų127.783%0.82569%0.692SS**  trans-57.1144-176.721.8-32.5000111.1F533P531-F533 PolarHBondContact O-N 2.91Å
532K41.1Very low52.9Low198 Ų198126.2 Ų126.286%0.86170%0.7SS**  trans-64.1103.1-166.8-63.8176-177.7176.20111.2T534K532-T534 PolarHBondContact O-N 2.91Å; K532-T534 VanDerWaalsContact O-N 3.12Å
533F44.4Very low50.2Low193 Ų193127.9 Ų127.985%0.84672%0.718SS**  trans-63.7110.9168.8-170.1-90.7000109.4P531 P535P531-F533 PolarHBondContact O-N 2.91Å; F533-P535 VanDerWaalsContact O-CD 3.32Å; F533-P535 WeakPolarHBondContact O-CD 3.39Å
534T46.6Very low47.8Very low116 Ų116127.8 Ų127.871%0.71274%0.735SS**  trans-93.7109.7-175.738.50000111.1K532 H536K532-T534 PolarHBondContact O-N 2.91Å; K532-T534 VanDerWaalsContact O-N 3.12Å; T534-H536 PolarHBondContact O-N 3.23Å; T534-H536 VanDerWaalsContact O-N 3.15Å
535P55.9Low45.4Very low117 Ų117132.1 Ų132.176%0.7675%0.75SS**  trans-73110.9173.529.2-32.7000110.4F533F533-P535 VanDerWaalsContact O-CD 3.32Å; F533-P535 WeakPolarHBondContact O-CD 3.39Å
536H31.4Very low43.2Very low137 Ų137135.5 Ų135.563%0.63477%0.765SS**  trans8586.8164.9-133.768.9000118.4T534T534-H536 PolarHBondContact O-N 3.23Å; T534-H536 VanDerWaalsContact O-N 3.15Å
537S30.7Very low41.2Very low118 Ų118140.2 Ų140.283%0.82577%0.774SS**  -106159.6128.167.70000108.7
538K36.8Very low39.6Very low159 Ų159139.3 Ų139.369%0.69178%0.78SS**  trans-153.3102.8-176.4-166.8-176-175-172.10111.9
539S32.6Very low38.2Very low111 Ų111144.8 Ų144.878%0.77679%0.787SS**  trans-109.1160.4171.446.40000111.3
540Q31.9Very low36.8Very low174 Ų174151.6 Ų151.681%0.81380%0.799SS**  trans-88.5154176.6-67.7-77.328.100111
541P36.6Very low36Very low116 Ų116147.2 Ų147.275%0.75379%0.793SS**  trans-83.1124.1166.432.9-30.3000110.9
542S31.9Very low34.8Very low119 Ų119144.4 Ų144.483%0.83279%0.786SS**  trans-139.296.4165.257.60000109
543S32.2Very low34.4Very low106 Ų106146.1 Ų146.174%0.74179%0.789SS**  trans-142.387.6177.959.30000109.6F545S543-F545 PolarHBondContact O-N 3.27Å
544S31.5Very low33.8Very low117 Ų117142 Ų14282%0.81879%0.79SS**  trans-75.898.9170.2490000109.7
545F31.1Very low33.1Very low198 Ų198139.6 Ų139.687%0.86879%0.789SS**  trans-125.7135.3156.6-85.6-72.5000109.4S543S543-F545 PolarHBondContact O-N 3.27Å
546T36.5Very low31.9Very low127 Ų127140.8 Ų140.878%0.77979%0.794SS**  trans-71.6134-173.446.20000111.5
547N29.1Very low31.7Very low168 Ų168138.7 Ų138.790%0.89880%0.8SS**  trans-131.3115.9153.8-105.7-69.6000108.3
548V31.2Very low31.8Very low121 Ų121139.4 Ų139.473%0.73380%0.799SS**  trans-75130.8-175.6175.10000109.1W550V548-W550 PolarHBondContact O-N 3.08Å
549R28.8Very low31.4Very low224 Ų224137.2 Ų137.285%0.84580%0.804SS**  trans-73.6109.5172.1174.3179.4-70.7175.1-2.8108.9S551R549-S551 PolarHBondContact O-N 2.89Å
550W26.2Very low31.5Very low246 Ų246136.2 Ų136.293%0.93280%0.803SS**  trans-66.7119.3158.2-80.283000109.1V548V548-W550 PolarHBondContact O-N 3.08Å
551S32.6Very low31.5Very low100 Ų100136.7 Ų136.770%0.69981%0.807SS**  trans-131.1118.1163.4-1700000105R549 Y553R549-S551 PolarHBondContact O-N 2.89Å; S551-Y553 PolarHBondContact O-N 2.77Å
552G31.4Very low31.3Very low67 Ų67140.6 Ų140.669%0.69181%0.812SS**  trans-75.6125-17000000112
553Y33Very low31.2Very low235 Ų235144.6 Ų144.692%0.92281%0.814SS**  trans-129.4139.7147.1-104-89.4000107.9S551S551-Y553 PolarHBondContact O-N 2.77Å
554A31.7Very low31.1Very low105 Ų105143.2 Ų143.287%0.86881%0.81SS**  trans-90.4148.1-179.500000111
555G31.5Very low31.1Very low67 Ų67145.8 Ų145.869%0.69181%0.807SS**  trans159.8131.5168.800000113.8
556V31Very low31.2Very low142 Ų142142.5 Ų142.586%0.86180%0.803SS**  trans54.993.7159.9-162.90000115.7
557A27.8Very low31.3Very low93 Ų93143.5 Ų143.577%0.76980%0.799SS**  85.6160.556.300000115.3
558V32.2Very low31.3Very low132 Ų132139.5 Ų139.580%0.878%0.783SS**  trans83.482.6176.9-164.10000118.1
559S29.8Very low30.9Very low113 Ų113141.5 Ų141.579%0.7979%0.789SS**  28.1118.8122.6-49.80000123
560A33Very low30.8Very low91 Ų91139.4 Ų139.475%0.75279%0.787SS**  -179.9107.7126.700000109.5
561M32.3Very low30.9Very low183 Ų183133.4 Ų133.490%0.90178%0.777SS**  92.4145.367-84.7-152.4-66.700115.4
562K31.9Very low30.7Very low199 Ų199133.7 Ų133.787%0.86578%0.779SS**  trans69.4113.4178.3-115.5168177.9176.10114.8
563K30.9Very low30.6Very low202 Ų202139.1 Ų139.188%0.87879%0.792SS**  63.6143.651.3-67-170.8173.6-177.30114.5
564A30.7Very low30.5Very low78 Ų78132.6 Ų132.665%0.64578%0.78SS**  cis-179.9159.5-22.100000109.3
565F30.9Very low30.5Very low171 Ų171132.4 Ų132.475%0.7577%0.773SS**  trans59.5123.3148-98.6-117.7000121.4Q567F565-Q567 HydrophobicContact CD1-CG 3.84Å; F565-Q567 HydrophobicContact CE1-CG 4.12Å
566T32Very low30.6Very low129 Ų129137.2 Ų137.279%0.79178%0.777SS**  -150.4117.7102.630.40000107.7
567Q38.3Very low30.6Very low148 Ų148136.8 Ų136.869%0.69278%0.775SS**  64137.692.2-66.4-169.53.900114.4F565F565-Q567 HydrophobicContact CD1-CG 3.84Å; F565-Q567 HydrophobicContact CE1-CG 4.12Å
568C29.5Very low30.7Very low83 Ų83141.5 Ų141.556%0.56178%0.778SS**  cis-155.2154.8-8.5-108.60000108.5
569N24.3Very low30.7Very low164 Ų164143.2 Ų143.288%0.87778%0.782SS**  -164.1168.390.7-103.1-55.3000113.2
570F25.9Very low30.6Very low179 Ų179142 Ų14279%0.78578%0.779SS**  trans-128168.8-162.2-110.9-77.5000114.1
571T28.6Very low30.7Very low120 Ų120146.5 Ų146.574%0.73679%0.789SS**  trans58.5117151.746.60000121.4
572S27.7Very low30.7Very low106 Ų106145.4 Ų145.474%0.74178%0.782SS**  50.9127.2111.3-160.30000120.6
573L30.2Very low30.8Very low181 Ų181144.1 Ų144.195%0.94878%0.776SS**  trans-138142147.8-153.776.3000110
574S31.3Very low30.9Very low98 Ų98143.1 Ų143.169%0.68578%0.775SS**  trans-138.3138.5178.162.60000110.8
575S31.3Very low31.1Very low101 Ų101146 Ų14671%0.70678%0.779SS**  trans-173.5128.6155-900000112.9
576Q32.7Very low31.2Very low168 Ų168143.6 Ų143.679%0.78578%0.778SS**  trans54.8162.2132.9-46.2-169.742.400118.6
577T30.9Very low31.4Very low133 Ų133146.4 Ų146.482%0.81678%0.779SS**  cis-146.8-167.613.6-29.10000110.8
578K30.4Very low30.9Very low192 Ų192143.5 Ų143.584%0.83578%0.776SS**  trans-117.2142.9-165.1-179.3-169.5-169.8-178.40110.6
579L32.4Very low31Very low168 Ų168146.9 Ų146.988%0.8879%0.787SS**  trans173.9118.5153-92158.3000106.1
580A28.2Very low31.2Very low89 Ų89144 Ų14474%0.73678%0.776SS**  cis91.6105.649.900000114
581L34.2Very low31.4Very low184 Ų184142.1 Ų142.196%0.96378%0.779SS**  trans-132.7163.8152.4-104.5176000109.3
582Q32.7Very low31.5Very low161 Ų161139.4 Ų139.475%0.75278%0.775SS**  trans-127129.5-140.1175.7170.5-69.800116.1
583K34.2Very low31.6Very low171 Ų171144.4 Ų144.474%0.74378%0.784SS**  trans29.5120.7149.3-57.5168.2-176.4170.40119.8
584Q33.4Very low32.2Very low182 Ų182143.8 Ų143.885%0.8578%0.781SS**  -128.8129.9110.2-69.6-162.1-400106.6
585L34.5Very low32.7Very low139 Ų139145.2 Ų145.273%0.72879%0.788SS**  62.4124.871-59.5173.5000111
586T32.4Very low32.8Very low120 Ų120145.5 Ų145.574%0.73679%0.79SS**  cis-138.5147.312.744.60000111.4
587K35.6Very low33.7Very low187 Ų187142.7 Ų142.781%0.81379%0.786SS**  41.1139.892.1-64.6-176.5177.2-176.30115.9
588S27.9Very low33.6Very low87 Ų87144.2 Ų144.261%0.60879%0.788SS**  cis177.2168.3-9.252.70000112
589L31.7Very low33.7Very low155 Ų155140.9 Ų140.981%0.81278%0.784SS**  trans70.2149.9154.3-71171.3000118.1
590T28Very low34.5Very low104 Ų104138.5 Ų138.564%0.63878%0.779SS**  cis-159.8172.2-24.2-160000110.6
591T30.7Very low36Very low138 Ų138139.5 Ų139.585%0.84778%0.778SS**  trans63.6146.2154.848.20000119.9
592G31.1Very low36Very low64 Ų64137 Ų13766%0.6677%0.771SS**  cis-175.7150.3-4.900000114.9
593F29.7Very low36Very low211 Ų211136.7 Ų136.793%0.92577%0.773SS**  trans23.1132.2159.7-63.2-86.1000123.8
594L42.3Very low35.8Very low167 Ų167134.2 Ų134.287%0.87478%0.776SS**  trans-70158.7159.6-56.6169.6000110.5
595P42.9Very low35.9Very low128 Ų128131.4 Ų131.483%0.83177%0.771SS**  -151.3-179.670.341.5-20.8000117.5
596S33.7Very low36.1Very low108 Ų108131.5 Ų131.576%0.75578%0.777SS**  trans-81.3-176.9161.5-43.80000110.6
597P50.5Low36Very low109 Ų109129.4 Ų129.471%0.70877%0.773SS**  cis-147.6-16611.645.1-23.9000117.6
598L29.7Very low35.9Very low164 Ų164126.8 Ų126.886%0.85977%0.772SS**  trans78.7167156-68.1173000121.4
599T32.6Very low36.4Very low122 Ų122130 Ų13075%0.74878%0.783SS**  trans-130.2-174.6-165.454.40000110.2
600P48.9Very low37.8Very low118 Ų118127.4 Ų127.477%0.76678%0.775SS**  cis-124.9-124.1-21.324.41.4000113
601P60.5Low38Very low111 Ų111130.6 Ų130.672%0.72179%0.787SS**  -117.5-178.8-93.737.8-23000116
602T32.3Very low38.1Very low132 Ų132128 Ų12881%0.8178%0.78SS**  trans-178.1156.1142-80.50000114.6
603L33Very low38Very low153 Ų153131.8 Ų131.880%0.80178%0.784SS**  trans-28.7166.4174.1-55.7171.4000119.7
604C31.6Very low38.2Very low120 Ų120132.5 Ų132.581%0.81178%0.781SS**  -145.7-126.952.4-67.30000118.8
605T34Very low37.8Very low122 Ų122133.1 Ų133.175%0.74878%0.779SS**  trans-160.8179.2-138.4-44.80000115.5
606V38.5Very low38.3Very low141 Ų141132.6 Ų132.686%0.85578%0.775SS**  trans71.2151.4167-103.10000119.4
607A31.7Very low38.4Very low77 Ų77134.5 Ų134.564%0.63678%0.782SS**  cis-156.1154.81.700000116.6
608T32.6Very low37.5Very low131 Ų131132.8 Ų132.880%0.80478%0.784SS**  trans53.6108142.553.80000127.3
609N38.2Very low37.7Very low156 Ų156129.1 Ų129.183%0.83478%0.778SS**  79.5171.9110.7-115.912.8000123
610P60.7Low37.7Very low100 Ų100129.1 Ų129.165%0.64978%0.778SS**  -141.4178.8-116.145.6-25.4000118.8
611L33.6Very low37Very low170 Ų170129.1 Ų129.189%0.8978%0.776SS**  trans-151.6133161.9-85.5-177.9000115
612A31.4Very low35.8Very low83 Ų83133.2 Ų133.269%0.68678%0.783SS**  trans44.1144.8134.600000122.9
613L29.6Very low35.9Very low145 Ų145133.8 Ų133.876%0.75978%0.779SS**  cis-165150.1-2.1-142.169.1000113.5
614R33.8Very low35.9Very low226 Ų226135.8 Ų135.885%0.85378%0.784SS**  trans68.2133.7154.8-59.4-136.7162.8139.1-0124.2
615H34.7Very low36.4Very low179 Ų179135.9 Ų135.983%0.82978%0.781SS**  trans-101.5179.5149.2-60-90.4000110.2
616P51.8Low37.2Very low117 Ų117134.7 Ų134.776%0.7678%0.776SS**  -149.6156.988.838.2-20.2000118
617V35.9Very low37.1Very low148 Ų148136.7 Ų136.790%0.89777%0.774SS**  trans39.3137.3135.9-174.50000120.2
618G33.2Very low37.8Very low73 Ų73141.3 Ų141.375%0.75379%0.786SS**  cis-168.2-164.65.100000110.4
619A32.9Very low38.3Very low88 Ų88138.1 Ų138.173%0.72778%0.78SS**  cis-158164.74.500000112.8
620T33.3Very low38.7Very low121 Ų121137.5 Ų137.574%0.74278%0.784SS**  trans53.2107156.251.70000122.5
621T33.2Very low37.7Very low119 Ų119137 Ų13773%0.7379%0.789SS**  50.1142.9128.262.80000121.4
622F36.1Very low38.1Very low197 Ų197136.8 Ų136.886%0.86479%0.788SS**  cis-140-17731.7-112.5-81.7000113.6
623I34Very low38.6Very low144 Ų144142.9 Ų142.974%0.73880%0.799SS**  trans-106.1129.4-162.9-61.7159.6000113
624Q33.4Very low39.5Very low194 Ų194147.1 Ų147.191%0.90781%0.805SS**  -156.3126.2129.7-119.9-178.620.300113.1
625T42.7Very low40.1Very low122 Ų122142.3 Ų142.375%0.74880%0.803SS**  trans-130.4157.6173.4-2.40000106.3
626P50.8Low40.1Very low97 Ų97138.3 Ų138.363%0.6380%0.801SS**  -156.2177.67144.4-24.6000118.2
627F35.8Very low39.8Very low184 Ų184139 Ų13981%0.80781%0.806SS**  trans49109.3158.9-55.1-55000117.8
628L46.8Very low40.7Very low173 Ų173134.8 Ų134.891%0.90679%0.791SS**  -155.8166.853-81.5167.9000112.6
629G41.8Very low41.3Very low65 Ų65137.8 Ų137.867%0.6780%0.798SS**  trans-90.9167-171.400000116.7A631G629-A631 PolarHBondContact O-N 2.82Å
630P48.1Very low41.8Very low143 Ų143142.2 Ų142.293%0.92981%0.808SS**  trans-82.6109.4-175.732.2-33.8000112.6
631A38.4Very low42.4Very low90 Ų90147.9 Ų147.974%0.74482%0.816SS**  trans-118.7110.9176.700000112.7G629G629-A631 PolarHBondContact O-N 2.82Å
632L43.2Very low42.8Very low165 Ų165147.1 Ų147.186%0.86482%0.821SS**  trans5799.8149.3-54.6179000118.9R634L632-R634 PolarHBondContact O-N 3.12Å
633F40.4Very low42.9Very low210 Ų210144.4 Ų144.492%0.92182%0.822SS**  trans-49.4124.5145.8-78.1-102.6000111.2
634R50Low43.4Very low235 Ų235145.8 Ų145.889%0.88782%0.824SS**  trans-144123.8145.7-81.3-154.1169.7-161.2-2.7111.2L632L632-R634 PolarHBondContact O-N 3.12Å
635P45.4Very low44Very low124 Ų124141.4 Ų141.481%0.80581%0.811SS**PPolyproline II helixtrans-65.5143.9169.4-20.233.1000112
636A35.2Very low44.3Very low95 Ų95141.3 Ų141.379%0.78581%0.813SS**PPolyproline II helixtrans-74.6144.6170.800000111.1G638A636-G638 PolarHBondContact O-N 3.18Å
637P44.9Very low44.3Very low133 Ų133143 Ų14386%0.86482%0.815SS**PPolyproline II helixtrans-66.5130.6-178.8-21.333.8000113.3
638G54.2Low44.9Very low58 Ų58141.7 Ų141.760%0.59882%0.815SS**PPolyproline II helixtrans-80.7162171.400000113.1A636 L640A636-G638 PolarHBondContact O-N 3.18Å; G638-L640 PolarHBondContact O-N 2.81Å
639P46.8Very low45.2Very low137 Ų137142.2 Ų142.289%0.8981%0.81SS**PPolyproline II helixtrans-64.7128.6-176.5-21.933.9000113.2
640L42.7Very low44.9Very low180 Ų180144.2 Ų144.294%0.94281%0.814SS**PPolyproline II helixtrans-65.6133.2174.3-62.9174.2000110.5G638G638-L640 PolarHBondContact O-N 2.81Å
641R45.3Very low45.5Very low241 Ų241143.2 Ų143.291%0.90981%0.807SS**  trans-112.1135.6173.6-153.2175.4-168.6-178.13.6110.2
642A42Very low45.5Very low102 Ų102153.5 Ų153.584%0.84383%0.829SS**  trans-59.8144.6-173.600000113.1
643T38.2Very low45.6Very low141 Ų141153 Ų15387%0.86583%0.827SS**  trans-74.6138.6-18042.10000111.9
644H45.3Very low45.9Very low173 Ų173149.9 Ų149.980%0.80182%0.822SS**  trans-105.7126.5167.5-173.5-67.4000108.7
645T45.5Very low45.7Very low102 Ų102145.2 Ų145.263%0.62682%0.819SS**  trans-74.1143.6-179.545.40000111.8
646P49.5Very low45.7Very low120 Ų120146.5 Ų146.578%0.77982%0.82SS**  trans-80.4118.3172.330.9-31.4000110.1
647I50.8Low46.4Very low133 Ų133149.7 Ų149.768%0.68282%0.822SS**  trans-86.4114.8171.3-60.2177.8000108.4F649I647-F649 HydrophobicContact CG2-CD2 3.95Å; I647-F649 HydrophobicContact CG2-CE2 3.71Å
648I48.9Very low46.5Very low156 Ų156150.8 Ų150.880%0.882%0.819SS**  trans-78.5133.5172.3-59.1171.1000108.4
649F52Low45.9Very low184 Ų184157.4 Ų157.481%0.80784%0.835SS**  trans-117.2119.2164.6-90.6-85.6000109.3I647I647-F649 HydrophobicContact CG2-CD2 3.95Å; I647-F649 HydrophobicContact CG2-CE2 3.71Å
650S36.1Very low45.8Very low107 Ų107159 Ų15975%0.74883%0.83SS**  trans-78.6154167.542.30000111
651P59.8Low46.1Very low122 Ų122157.3 Ų157.379%0.79282%0.821SS**  trans-86.8147.3-179.334.4-34.5000113
652Y39.7Very low46.2Very low306 Ų306149.6 Ų149.6100%1.281%0.813SS**  trans-155.80156.2-134.7-83.3000109.2

Retrieved 652 of 652 residues in 102.3 ms (Link to these results)