X5DND4_HUMAN Loading...

Benzodiazapine receptor peripheral-associated protein 1 isoform L

AlphaFold DB , UniProt , Accession X5DND4, Species HUMAN (Homo sapiens, Human), Gene BZRAP1, Length 882 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
1M32.5Very low36.7Very low230 Ų230149.2 Ų149.2100%1.13381%0.81SS**  0121.50-67.8158.6173.700108
2E40.3Very low36Very low147 Ų147150.8 Ų150.869%0.68782%0.817SS**  cis-173.8144.5-23.1-115178.5109.900107.6
3Q40.9Very low37.1Very low148 Ų148148.4 Ų148.469%0.69281%0.814SS**  trans43.8141143.3-55-167.477.800121
4L41.9Very low37.2Very low135 Ų135143.6 Ų143.671%0.70782%0.816SS**  cis-171.4-177.7-4-115.4178.8000109.4
5T34Very low37Very low127 Ų127140.9 Ų140.978%0.77982%0.819SS**  trans72.41391567.70000118.7
6T33.5Very low36.7Very low125 Ų125144.1 Ų144.177%0.76783%0.826SS**  cis-161.8147.2-30.1-92.10000108.7
7L34.1Very low36.7Very low162 Ų162146.4 Ų146.485%0.84883%0.828SS**  trans-92.2139.9170.1-74.2165.6000112.1
8P39.4Very low37.1Very low125 Ų125144.8 Ų144.881%0.81283%0.825SS**  trans-80148.6160.733-32.1000111.5
9R33.5Very low36.9Very low242 Ų242148.2 Ų148.291%0.91382%0.823SS**  trans-111158.3167.8-108-172.7172176.2-1.2110.2
10P42.3Very low36.6Very low129 Ų129145.7 Ų145.784%0.83882%0.822SS**  trans-88.6152.8-168.635.2-35.7000113.8
11G31.8Very low36.5Very low71 Ų71145.2 Ų145.273%0.73282%0.817SS**  trans153.591.9161.600000115.2
12D28.4Very low36.7Very low168 Ų168139.2 Ų139.290%0.89880%0.795SS**  -167152.8120.4-114.5-17.3000111.4
13P49.3Very low36.2Very low120 Ų120137.9 Ų137.978%0.77980%0.797SS**  trans-101.3119.6-175.135.5-28.4000112.6
14G39.1Very low35.7Very low82 Ų82142.7 Ų142.785%0.84581%0.809SS**  trans-171.614.9-176.700000120.2
15A34.4Very low35.3Very low103 Ų103144.2 Ų144.285%0.85181%0.813SS**  trans-161.496.8170.500000111.7
16M31.7Very low35Very low191 Ų191143.2 Ų143.294%0.94181%0.81SS**  trans-134.599.8166.2-149.6176.2-17100107.9P18M16-P18 WeakPolarHBondContact O-CD 3.42Å
17E36.9Very low34.7Very low184 Ų184149.2 Ų149.286%0.8682%0.819SS**  trans-70.9126.4178.3-70-166.8123.800110.3W19E17-W19 PolarHBondContact O-N 3.23Å
18P44.4Very low34.7Very low117 Ų117147.4 Ų147.476%0.7682%0.815SS**  trans-76.6118.7170.530.7-31.5000109.7M16 A20M16-P18 WeakPolarHBondContact O-CD 3.42Å; P18-A20 PolarHBondContact O-N 3.4Å; P18-A20 VanDerWaalsContact O-N 3.16Å
19W32.3Very low34.5Very low210 Ų210147.8 Ų147.880%0.79582%0.817SS**  trans-63.1111.6171.535.7-82.2000109.6E17 L21E17-W19 PolarHBondContact O-N 3.23Å; W19-L21 HydrophobicContact CE3-CG 4.45Å; W19-L21 HydrophobicContact CZ3-CD1 4.31Å; W19-L21 HydrophobicContact CZ3-CD2 4.35Å; W19-L21 HydrophobicContact CZ3-CG 4.24Å; W19-L21 PolarHBondContact O-N 2.89Å
20A32Very low34.3Very low98 Ų98140.1 Ų140.181%0.8181%0.814SS**PPolyproline II helixtrans-71.5121.8-17400000112P18P18-A20 PolarHBondContact O-N 3.4Å; P18-A20 VanDerWaalsContact O-N 3.16Å
21L33.7Very low33.8Very low135 Ų135145.7 Ų145.771%0.70782%0.818SS**PPolyproline II helixtrans-79.7133.6165.1-71.1169000109.5W19 T23W19-L21 HydrophobicContact CE3-CG 4.45Å; W19-L21 HydrophobicContact CZ3-CD1 4.31Å; W19-L21 HydrophobicContact CZ3-CD2 4.35Å; W19-L21 HydrophobicContact CZ3-CG 4.24Å; W19-L21 PolarHBondContact O-N 2.89Å; L21-T23 PolarHBondContact O-N 3.36Å
22P36.6Very low33.6Very low105 Ų105146.1 Ų146.168%0.68282%0.823SS**PPolyproline II helixtrans-70.4129.2-179.727.8-33.9000111.5W24P22-W24 PolarHBondContact O-N 3.26Å
23T29.5Very low33.5Very low119 Ų119141.9 Ų141.973%0.7382%0.819SS**PPolyproline II helixtrans-73.7117.2177.647.70000111.5L21L21-T23 PolarHBondContact O-N 3.36Å
24W30.2Very low32.6Very low248 Ų248145.1 Ų145.194%0.93982%0.824SS**PPolyproline II helixtrans-77.7124170.5-72.562.8000109.9P22P22-W24 PolarHBondContact O-N 3.26Å
25H34.1Very low32.7Very low168 Ų168147.1 Ų147.178%0.77882%0.821SS**PPolyproline II helixtrans-81.7127175.4-79.2-74.2000111.4W27H25-W27 PolarHBondContact O-N 3.34Å
26S28.9Very low32.3Very low105 Ų105146.9 Ų146.973%0.73481%0.814SS**PPolyproline II helixtrans-67.1125.4177.853.60000112.4
27W25.9Very low32.1Very low252 Ų252143.3 Ų143.396%0.95581%0.808SS**PPolyproline II helixtrans-80.5138.9165.2-81.943000110.8H25H25-W27 PolarHBondContact O-N 3.34Å
28T34.3Very low31.7Very low124 Ų124139.4 Ų139.476%0.76181%0.807SS**  trans-119.4131.1176.148.90000110.7G30T28-G30 PolarHBondContact O-N 3.18Å
29P35.8Very low31Very low132 Ų132138.5 Ų138.586%0.85781%0.809SS**  trans-71.9116.6-178.9-19.532.7000112.9
30G29.4Very low31Very low82 Ų82134.8 Ų134.885%0.84581%0.812SS**  trans-73.8133.8169.600000111.7T28T28-G30 PolarHBondContact O-N 3.18Å
31R30.3Very low30.7Very low245 Ų245135.4 Ų135.493%0.92581%0.811SS**  trans-113.9114.8-175.6178.1-165.7-69.5-102.50.7112.1
32G27.7Very low30.4Very low81 Ų81136.6 Ų136.684%0.83582%0.816SS**  trans69.7125.4142.700000119.1
33G26.7Very low29.9Very low78 Ų78135.4 Ų135.480%0.80482%0.815SS**  trans-179.695.8166.800000112.8
34E31.9Very low29.7Very low189 Ų189137.3 Ų137.388%0.88382%0.821SS**  trans-74.1158.9157.5-62.2-169.399.300109.6
35P40.2Very low30Very low123 Ų123131.1 Ų131.180%0.79981%0.811SS**  -149145.595.936.7-19.8000117.2
36S26.8Very low30.1Very low99 Ų99128.8 Ų128.869%0.69281%0.81SS**  trans59.1101139.3-166.50000120.7
37S27.7Very low30.7Very low116 Ų116129.5 Ų129.581%0.81181%0.812SS**  24.7106114.8169.50000118
38A27.5Very low30.8Very low102 Ų102122.1 Ų122.184%0.84381%0.805SS**  trans-153.7118.9149.300000110.3
39A28.7Very low30.5Very low98 Ų98120.2 Ų120.281%0.8180%0.802SS**  trans-114.5129.9173.900000110.4
40P32.5Very low30.1Very low131 Ų131121.8 Ų121.885%0.85180%0.802SS**  trans-86.2150.9162.334.4-30.6000110.3
41S25.5Very low30Very low112 Ų112127.2 Ų127.278%0.78381%0.806SS**  trans-144.9162.9178.9-1730000110.3
42I27.6Very low29.8Very low159 Ų159123.5 Ų123.582%0.81580%0.803SS**  trans77.7117.5174.3-50.4-173.9000115.8
43A26Very low29.7Very low80 Ų80127.9 Ų127.966%0.66180%0.802SS**  trans-34170.4162.400000118.6
44D26.6Very low29.8Very low159 Ų159132.7 Ų132.785%0.8580%0.804SS**  -145.8153.5121.2-131.5-29.7000112.1
45T35.8Very low29.6Very low119 Ų119131.1 Ų131.173%0.7380%0.8SS**  trans-143.8111.5-178.3-57.20000111.8
46P36.6Very low28.9Very low118 Ų118135.5 Ų135.577%0.76680%0.801SS**  trans-82.8161170.9-10.929000113
47P42.1Very low28.9Very low120 Ų120136.3 Ų136.378%0.77981%0.806SS**  trans-122.7-176.9-154.642.9-31.1000115.9
48A26.9Very low28.9Very low98 Ų98138.6 Ų138.681%0.8180%0.804SS**  trans76.1152.2157.900000118.1
49A27.7Very low28.8Very low83 Ų83143.1 Ų143.169%0.68681%0.808SS**  cis-168.6168.7-24.700000110
50L27.3Very low28.6Very low165 Ų165143 Ų14386%0.86480%0.801SS**  trans56.7114.3161.7-63169.9000118.3
51Q28.6Very low28.5Very low197 Ų197142.8 Ų142.892%0.92180%0.803SS**  -161.5151.698.3-106.3173.72.200112.5
52L26.3Very low28.6Very low167 Ų167146.7 Ų146.787%0.87481%0.806SS**  trans-91.1140.1171.6-74159.2000109.2
53Q25.8Very low29.6Very low172 Ų172144 Ų14480%0.80480%0.799SS**  trans-153.5120.7133.7-165.6149.2800111.5
54E26.8Very low29.6Very low180 Ų180150 Ų15084%0.84181%0.81SS**  trans-74.4135.1160.9-66.4173.889.600109.4
55L27.8Very low29.6Very low156 Ų156145.4 Ų145.482%0.81780%0.8SS**  trans-141.898.1149.4-80.3-175.4000109.8
56R26.1Very low29.2Very low215 Ų215148.1 Ų148.181%0.81181%0.81SS**  trans-83.4129.8155.9177.5-159.8-68.8-130.7-0.5107.7
57S27.2Very low28.8Very low115 Ų115146.1 Ų146.180%0.80481%0.811SS**  trans-148.7134.8153.4-74.80000109.9
58E27.7Very low28.2Very low165 Ų165145.7 Ų145.777%0.77181%0.811SS**  trans-85.4154.5165.2-62.6153.870.200108.2
59E24.2Very low28.4Very low197 Ų197147 Ų14792%0.92181%0.814SS**  -162.3153.4122.7-164.3152.592.700111.9
60S26.3Very low28.6Very low95 Ų95153.8 Ų153.866%0.66482%0.822SS**  trans-72.5155.2175.6174.10000113.8
61S29.2Very low29.5Very low126 Ų126151.5 Ų151.588%0.88182%0.817SS**  trans-152.2141.3145.2-88.50000113.9
62K28.7Very low29.5Very low195 Ų195148.8 Ų148.885%0.84881%0.814SS**  trans-123.1-176.1174.1-141.4161.5179.3174.40104.8
63P47.1Very low29.6Very low103 Ų103144.6 Ų144.667%0.66981%0.811SS**  cis-148.2-157.57.542.1-18.9000116
64K26.3Very low29.8Very low205 Ų205140 Ų14089%0.89181%0.81SS**  trans86.3160155.3-82.3179175.4-170.60119.3
65G27.6Very low29.9Very low63 Ų63138.3 Ų138.365%0.64981%0.811SS**  trans-157-124.9-174.400000110.2
66D27.6Very low30.3Very low176 Ų176138.3 Ų138.394%0.94181%0.813SS**  trans75.6149.2-163.1-57.7-39.3000113.3
67G28.6Very low31.6Very low76 Ų76132.9 Ų132.978%0.78481%0.805SS**  cis-155.9-174.36.600000115
68S29.2Very low31.7Very low111 Ų111136.6 Ų136.678%0.77681%0.81SS**  trans-94158.4-169.3179.60000114.2
69S30Very low31.7Very low126 Ų126132.2 Ų132.288%0.88181%0.809SS**  trans-155.5141.6153.5-83.50000113
70R31.4Very low31.9Very low225 Ų225127.3 Ų127.385%0.84980%0.802SS**  trans-154.8136.6178.3-163.9-172.7-167.2-165.25.3108.1
71P46.1Very low32Very low116 Ų116131.7 Ų131.775%0.75381%0.812SS**  -145.5136.3121.229.9-11000113.2
72V30.3Very low31.9Very low141 Ų141130 Ų13086%0.85581%0.805SS**  84.2128.481.6173.50000115.1
73G27Very low31.8Very low79 Ų79126.6 Ų126.681%0.81481%0.805SS**  trans109.5125.5165.700000115.4
74G29.7Very low31.2Very low76 Ų76129.6 Ų129.678%0.78481%0.814SS**  cis124.877.7-25.100000117.9
75T30.9Very low32Very low143 Ų143125 Ų12588%0.87781%0.806SS**  trans-158.8119.9158.442.60000112.5
76D35.2Very low32.1Very low157 Ų157126.9 Ų126.984%0.8481%0.809SS**  trans-81.6179.6149.7-77.8-53.1000108.8
77P53.7Low32.1Very low101 Ų101126 Ų12666%0.65680%0.803SS**  cis-155.9-166.531.647.4-24.7000119.4
78E28.9Very low32.2Very low192 Ų192126.3 Ų126.390%0.89781%0.806SS**  trans66.2154162.9-65.4177.910500117.6
79G28Very low32.3Very low74 Ų74128.7 Ų128.776%0.76381%0.805SS**  cis160.4159.3-4.200000110.2
80A28.7Very low32.2Very low94 Ų94131.6 Ų131.678%0.77781%0.805SS**  cis-164.6174.7-11.800000109.9
81E26.9Very low32Very low187 Ų187125.2 Ų125.287%0.87480%0.8SS**  trans68.2134.4173.4-52-134.5109.200116.1
82A28.4Very low31.2Very low89 Ų89125 Ų12574%0.73680%0.802SS**  cis91.5102.436.700000114.8
83C26Very low31.1Very low124 Ų124123.5 Ų123.584%0.83880%0.797SS**  trans-165130150.7-138.50000113.8
84L34.5Very low31.2Very low166 Ų166125.2 Ų125.287%0.86980%0.797SS**  trans-114.4137.1152.4-76.1173.6000106.3
85P43.6Very low31.2Very low110 Ų110125 Ų12571%0.71479%0.794SS**  -148.9-176.710132.4-13000112.5
86S29.2Very low31.8Very low102 Ų102124.5 Ų124.571%0.71379%0.794SS**  cis-176.4160.4-34.7-840000107.6
87L28.8Very low31.4Very low157 Ų157121.5 Ų121.582%0.82279%0.791SS**  trans64.3119.4155.3-11168.2000120.5
88G29.6Very low30.2Very low82 Ų82122 Ų12285%0.84580%0.795SS**  trans-160.4104.2155.500000109.2
89Q32.2Very low30.1Very low161 Ų161122.3 Ų122.375%0.75280%0.797SS**  trans-110.6137.1-173.4-63.5-179.26.800112.2
90Q27.2Very low30.2Very low188 Ų188127.9 Ų127.988%0.87980%0.795SS**  167130.5129.7-90.3166.629.900108.2
91A28Very low30.7Very low91 Ų91128.7 Ų128.775%0.75279%0.792SS**  cis100.3104.615.900000115.7
92S29.2Very low30.9Very low112 Ų112125.7 Ų125.778%0.78378%0.778SS**  trans-176104.3157.3-79.40000107
93S28.4Very low30.9Very low108 Ų108128.4 Ų128.476%0.75578%0.78SS**  70.5135.894.569.10000115.3
94S28Very low31.3Very low115 Ų115131.2 Ų131.280%0.80478%0.781SS**  cis-170.5158.8-12.343.20000109.2
95G30.1Very low31.6Very low71 Ų71132.2 Ų132.273%0.73278%0.781SS**  trans-70.7-175.2-179.900000115.5
96P43.3Very low31.3Very low134 Ų134133.4 Ų133.487%0.8779%0.786SS**  -140.5-179.759.941.5-25.6000116.5
97A27.3Very low31.6Very low94 Ų94138 Ų13878%0.77780%0.797SS**  trans-93.9-175167.500000110.4
98C27.1Very low32Very low110 Ų110135 Ų13574%0.74379%0.794SS**  cis-168.2154.58.4-160.70000109.2
99Q27.9Very low32.1Very low200 Ų200141 Ų14194%0.93580%0.797SS**  trans178.6164.1134.3-99.9161.755.900114.5
100R30.1Very low32.3Very low191 Ų191141.8 Ų141.872%0.72181%0.805SS**  trans-119.1164.7-174-140.4-167.2-80.5154.6-13110E102R100-E102 VanDerWaalsContact CD-OE1 3.31Å; R100-E102 WeakPolarHBondContact CD-OE1 3.25Å; R100-E102 IonicContact CZ-OE1 2.69Å; R100-E102 IonicContact NE-OE1 3.62Å; R100-E102 IonicContact NH1-OE1 3.8Å; R100-E102 PolarHBondContact NH1-OE1 3.34Å
101P39.8Very low33Very low110 Ų110142.4 Ų142.471%0.71481%0.805SS**  -128.1158.179.312.311.6000112.3
102E30.6Very low33.3Very low124 Ų124147.5 Ų147.558%0.57981%0.814SS**  65.4128.159-68.4151.3-154.700111.2R100R100-E102 VanDerWaalsContact CD-OE1 3.31Å; R100-E102 WeakPolarHBondContact CD-OE1 3.25Å; R100-E102 IonicContact CZ-OE1 2.69Å; R100-E102 IonicContact NE-OE1 3.62Å; R100-E102 IonicContact NH1-OE1 3.8Å; R100-E102 PolarHBondContact NH1-OE1 3.34Å
103D28.9Very low33.5Very low146 Ų146145.1 Ų145.178%0.78181%0.806SS**  cis-110.2152.420.6-53.5-47.7000112.6
104E32.8Very low34.2Very low184 Ų184145.7 Ų145.786%0.8681%0.808SS**  51.3121.973.6-52.6-167.5154.400113
105E40.7Very low34.9Very low187 Ų187149.6 Ų149.687%0.87481%0.813SS**  cis-148.5-175.946.8-166.6175-166.700112.4
106V39.2Very low35.6Very low135 Ų135157.5 Ų157.582%0.81882%0.821SS**SBendtrans78.248.3165.8-150.30000119.4
107E35.2Very low35.9Very low199 Ų199157.3 Ų157.393%0.9381%0.812SS**  trans-152.578.1146.7-158.8177.9-131.100113.3
108A37.3Very low37.5Very low93 Ų93158.9 Ų158.977%0.76980%0.803SS**  trans-152.760-176.800000114.9
109F31.6Very low38.8Very low208 Ų208159.6 Ų159.691%0.91280%0.804SS**SBendtrans-145.915.8172.7-112.2-72.2000117.2
110L35.2Very low40.4Very low177 Ų177159.5 Ų159.593%0.92780%0.795SS**SBendtrans-126.536.4178.9-72.2177.2000114.3
111K41.7Very low42.2Very low202 Ų202153 Ų15388%0.87877%0.774SS**  trans-144.785.8166.4-80.3-173.1179.1168.30111.9
112E34.3Very low43.4Very low198 Ų198154.9 Ų154.993%0.92577%0.771SS**  trans-157.785.8141.6-82.9-134.4179.800108.5
113G34.6Very low45.4Very low61 Ų61152.2 Ų152.263%0.62976%0.761SS**  trans-89.4148.9158.100000108.9Q115G113-Q115 PolarHBondContact O-N 2.86Å
114P43.4Very low47.8Very low121 Ų121152 Ų15279%0.78675%0.749SS**  trans-59.1114.7-175.523.7-33.6000110.8W116P114-W116 PolarHBondContact O-N 3.29Å
115Q40.9Very low50.2Low196 Ų196147.6 Ų147.692%0.91673%0.731SS**  trans-72.3104.8-176.4-175.1163.173.700109.7G113 L117G113-Q115 PolarHBondContact O-N 2.86Å; Q115-L117 PolarHBondContact O-N 3.19Å
116W45.1Very low52Low237 Ų237142.3 Ų142.390%0.89871%0.709SS**PPolyproline II helixtrans-53.8135.8176.1-75.183.8000110.9P114 H118P114-W116 PolarHBondContact O-N 3.29Å; W116-H118 PolarHBondContact O-N 3.28Å
117L49.4Very low53.9Low130 Ų130142.1 Ų142.168%0.68169%0.693SS**PPolyproline II helixtrans-47.9131.6-172.8-72167.7000111.9Q115 D121Q115-L117 PolarHBondContact O-N 3.19Å; L117-D121 HydrophobicContact CB-CB 4.16Å; L117-D121 HydrophobicContact CD2-CB 4.05Å
118H61.5Low56.1Low128 Ų128136.4 Ų136.459%0.59367%0.667SS**PPolyproline II helixtrans-72158.9-175.2-161.256.7000109.9W116 R120 D121 F122W116-H118 PolarHBondContact O-N 3.28Å; H118-R120 PolarHBondContact O-N 3.04Å; H118-D121 WeakPolarHBondContact CB-OD2 3.41Å; H118-D121 PolarHBondContact N-OD2 2.79Å; H118-D121 WeakPolarHBondContact O-CA 3.44Å; H118-D121 WeakPolarHBondContact O-CB 3.46Å; H118-D121 PolarHBondContact O-N 3.34Å; H118-F122 PolarHBondContact O-N 2.8Å
119V55Low58.3Low124 Ų124135.1 Ų135.175%0.75265%0.652SS**Hα-helixtrans-55.9-30.2-177.7179.70000112.1D121 D123V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 PolarHBondContact O-N 3.48Å; V119-D123 PolarHBondContact O-N 3.36Å
120R60Low60.4Low198 Ų198130.2 Ų130.275%0.74763%0.632SS**Hα-helixtrans-68.9-22.8175.3-60.8-174.965.9-173-0.8114.2H118 R124H118-R120 PolarHBondContact O-N 3.04Å; R120-R124 PolarHBondContact O-N 3.48Å
121D68.8Low62.7Low54 Ų54129.3 Ų129.329%0.28962%0.616SS.*Hα-helixtrans-83.4-34.7178.8-57.5-47.6000111.3L117 H118 V119 D123 R124 L125L117-D121 HydrophobicContact CB-CB 4.16Å; L117-D121 HydrophobicContact CD2-CB 4.05Å; H118-D121 WeakPolarHBondContact CB-OD2 3.41Å; H118-D121 PolarHBondContact N-OD2 2.79Å; H118-D121 WeakPolarHBondContact O-CA 3.44Å; H118-D121 WeakPolarHBondContact O-CB 3.46Å; H118-D121 PolarHBondContact O-N 3.34Å; V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 PolarHBondContact O-N 3.48Å; D121-D123 VanDerWaalsContact C-N 3.28Å; D121-D123 PolarHBondContact O-N 3.41Å; D121-R124 WeakPolarHBondContact O-CB 3.43Å; D121-R124 PolarHBondContact O-N 2.89Å; D121-L125 WeakPolarHBondContact O-CD1 3.31Å; D121-L125 PolarHBondContact O-N 2.81Å
122F64.6Low64.8Low150 Ų150123.5 Ų123.566%0.65859%0.592SS**Hα-helixtrans-59.3-44.1167-174.5-95.3000110.8H118 R124 L125 L126H118-F122 PolarHBondContact O-N 2.8Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 3.06Å; F122-L125 PolarHBondContact O-N 3.45Å; F122-L126 WeakPolarHBondContact O-CB 3.48Å; F122-L126 PolarHBondContact O-N 2.9Å
123D74Confident67.4Low69 Ų69117.5 Ų117.537%0.36957%0.569SS.*Hα-helixtrans-65.1-28.9177.3-153.40.9000112.7V119 D121 R127V119-D123 PolarHBondContact O-N 3.36Å; D121-D123 VanDerWaalsContact C-N 3.28Å; D121-D123 PolarHBondContact O-N 3.41Å; D123-R127 WeakPolarHBondContact O-CD 3.42Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-NE 3.05Å; D123-R127 IonicContact OD1-CZ 2.76Å; D123-R127 IonicContact OD1-NE 2.65Å; D123-R127 PolarHBondContact OD1-NE 2.89Å; D123-R127 IonicContact OD1-NH2 3.01Å; D123-R127 PolarHBondContact OD1-NH2 2.86Å; D123-R127 IonicContact OD2-CZ 3.63Å; D123-R127 IonicContact OD2-NH2 3.8Å; D123-R127 PolarHBondContact OD2-NH2 3.45Å; D123-R127 VanDerWaalsContact OD2-NH2 3.08Å
124R78.9Confident69.9Low140 Ų140119.8 Ų119.853%0.52857%0.566SS.*Hα-helixtrans-71.3-55.1168.6169.8-171.7-77.6-83.29.4111.6R120 D121 F122 L126 R127 E128R120-R124 PolarHBondContact O-N 3.48Å; D121-R124 WeakPolarHBondContact O-CB 3.43Å; D121-R124 PolarHBondContact O-N 2.89Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 3.06Å; R124-L126 PolarHBondContact O-N 3.3Å; R124-R127 CarbonylContact O-C 3.55Å; R124-R127 PolarHBondContact O-N 2.69Å; R124-E128 VanDerWaalsContact CG-CD 3.44Å; R124-E128 HydrophobicContact CG-CG 4.4Å; R124-E128 WeakPolarHBondContact CG-OE1 3.46Å; R124-E128 IonicContact CZ-OE1 3.87Å; R124-E128 IonicContact NH1-OE1 2.68Å; R124-E128 PolarHBondContact NH1-OE1 3.45Å; R124-E128 PolarHBondContact O-N 2.88Å
125L81.8Confident72.1Confident92 Ų92119.4 Ų119.448%0.48255%0.549SS..Hα-helixtrans-58.1-37.9-177.9-95.479000111.3D121 F122 R127 E128 S129D121-L125 WeakPolarHBondContact O-CD1 3.31Å; D121-L125 PolarHBondContact O-N 2.81Å; F122-L125 PolarHBondContact O-N 3.45Å; L125-R127 PolarHBondContact O-N 3.47Å; L125-E128 PolarHBondContact O-N 2.85Å; L125-S129 WeakPolarHBondContact O-CB 3.31Å; L125-S129 PolarHBondContact O-N 3.39Å
126L79.7Confident74.4Confident76 Ų76113.7 Ų113.740%0.39852%0.524SS..Hα-helixtrans-62.2-41.5175.8-174.760000111.9F122 R124 Q130F122-L126 WeakPolarHBondContact O-CB 3.48Å; F122-L126 PolarHBondContact O-N 2.9Å; R124-L126 PolarHBondContact O-N 3.3Å; L126-Q130 WeakPolarHBondContact O-CB 3.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.38Å; L126-Q130 PolarHBondContact O-N 2.84Å
127R78.1Confident76.2Confident132 Ų132107.8 Ų107.850%0.49851%0.507SS..Hα-helixtrans-76.9-20.3178.1-63.9165.1-156.7-107.65.2113.1D123 R124 L125 R131D123-R127 WeakPolarHBondContact O-CD 3.42Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-NE 3.05Å; D123-R127 IonicContact OD1-CZ 2.76Å; D123-R127 IonicContact OD1-NE 2.65Å; D123-R127 PolarHBondContact OD1-NE 2.89Å; D123-R127 IonicContact OD1-NH2 3.01Å; D123-R127 PolarHBondContact OD1-NH2 2.86Å; D123-R127 IonicContact OD2-CZ 3.63Å; D123-R127 IonicContact OD2-NH2 3.8Å; D123-R127 PolarHBondContact OD2-NH2 3.45Å; D123-R127 VanDerWaalsContact OD2-NH2 3.08Å; R124-R127 CarbonylContact O-C 3.55Å; R124-R127 PolarHBondContact O-N 2.69Å; L125-R127 PolarHBondContact O-N 3.47Å; R127-R131 WeakPolarHBondContact O-CG 3.22Å; R127-R131 PolarHBondContact O-N 2.87Å; R127-R131 PolarHBondContact O-NE 3.36Å
128E82.8Confident77.7Confident78 Ų78110.4 Ų110.436%0.36451%0.508SS..Hα-helixtrans-83.8-42.9173.2-73167.5-173.400110.1R124 L125 R131 E132R124-E128 VanDerWaalsContact CG-CD 3.44Å; R124-E128 HydrophobicContact CG-CG 4.4Å; R124-E128 WeakPolarHBondContact CG-OE1 3.46Å; R124-E128 IonicContact CZ-OE1 3.87Å; R124-E128 IonicContact NH1-OE1 2.68Å; R124-E128 PolarHBondContact NH1-OE1 3.45Å; R124-E128 PolarHBondContact O-N 2.88Å; L125-E128 PolarHBondContact O-N 2.85Å; E128-R131 PolarHBondContact O-N 2.97Å; E128-E132 PolarHBondContact O-N 2.96Å
129S82.6Confident78.7Confident67 Ų67109.3 Ų109.347%0.46950%0.503SS..Hα-helixtrans-55.9-49.9168.5175.90000112.6L125 R131 E132 V133L125-S129 WeakPolarHBondContact O-CB 3.31Å; L125-S129 PolarHBondContact O-N 3.39Å; S129-R131 VanDerWaalsContact C-N 3.28Å; S129-R131 PolarHBondContact O-N 2.86Å; S129-E132 PolarHBondContact O-N 3.4Å; S129-E132 VanDerWaalsContact O-N 3.1Å; S129-V133 WeakPolarHBondContact O-CG2 3.45Å; S129-V133 PolarHBondContact O-N 2.97Å
130Q76.8Confident80Confident105 Ų105108 Ų10849%0.49149%0.491SS..Hα-helixtrans-59.7-36.8176-75.4169.1-0.100112.8L126 L134L126-Q130 WeakPolarHBondContact O-CB 3.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.38Å; L126-Q130 PolarHBondContact O-N 2.84Å; Q130-L134 WeakPolarHBondContact O-CG 3.42Å; Q130-L134 PolarHBondContact O-N 2.87Å; Q130-L134 VanDerWaalsContact O-N 3.13Å
131R82.8Confident80.8Confident158 Ų158100.8 Ų100.860%0.59647%0.473SS*.Hα-helixtrans-69.5-37.4174.8-84.3-179.9-81.3-171.10.2112.1R127 E128 S129 L134 R135R127-R131 WeakPolarHBondContact O-CG 3.22Å; R127-R131 PolarHBondContact O-N 2.87Å; R127-R131 PolarHBondContact O-NE 3.36Å; E128-R131 PolarHBondContact O-N 2.97Å; S129-R131 VanDerWaalsContact C-N 3.28Å; S129-R131 PolarHBondContact O-N 2.86Å; R131-L134 PolarHBondContact O-N 3.35Å; R131-R135 WeakPolarHBondContact O-CB 3.2Å; R131-R135 PolarHBondContact O-N 3.34Å
132E85.9Confident81.4Confident79 Ų79102.6 Ų102.637%0.36948%0.483SS..Hα-helixtrans-70.6-38.8177.1-172.958.2-165.400112.2E128 S129 L134 R135 L136E128-E132 PolarHBondContact O-N 2.96Å; S129-E132 PolarHBondContact O-N 3.4Å; S129-E132 VanDerWaalsContact O-N 3.1Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 2.72Å; E132-R135 WeakPolarHBondContact O-CB 3.36Å; E132-R135 PolarHBondContact O-N 2.83Å; E132-R135 VanDerWaalsContact O-N 3.14Å; E132-R135 IonicContact OE1-CZ 3.16Å; E132-R135 VanDerWaalsContact OE1-CZ 3.22Å; E132-R135 IonicContact OE1-NE 2.68Å; E132-R135 PolarHBondContact OE1-NE 3.05Å; E132-R135 IonicContact OE1-NH2 2.73Å; E132-R135 PolarHBondContact OE1-NH2 2.91Å; E132-R135 WeakPolarHBondContact OE2-CD 3.36Å; E132-R135 IonicContact OE2-CZ 3.11Å; E132-R135 IonicContact OE2-NE 3.62Å; E132-R135 PolarHBondContact OE2-NE 2.83Å; E132-R135 IonicContact OE2-NH2 2.72Å; E132-L136 HydrophobicContact CG-CD1 4.28Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 WeakPolarHBondContact O-CG 3.48Å; E132-L136 PolarHBondContact O-N 3.24Å
133V89.1Confident82.1Confident72 Ų72102.9 Ų102.944%0.43648%0.479SS..Hα-helixtrans-58.4-45.2170.1170.50000110.9S129 R135 L136 Q137S129-V133 WeakPolarHBondContact O-CG2 3.45Å; S129-V133 PolarHBondContact O-N 2.97Å; V133-R135 VanDerWaalsContact C-N 3.35Å; V133-R135 PolarHBondContact O-N 2.9Å; V133-L136 PolarHBondContact O-N 3.43Å; V133-Q137 HydrophobicContact CG1-CG 4.42Å; V133-Q137 WeakPolarHBondContact O-CB 3.47Å; V133-Q137 WeakPolarHBondContact O-CG 3.31Å; V133-Q137 PolarHBondContact O-N 3.38Å
134L87.4Confident82Confident109 Ų109103.4 Ų103.457%0.57148%0.482SS*.Hα-helixtrans-65.2-35.9175-72.2169.2000112.5Q130 R131 E132 R138Q130-L134 WeakPolarHBondContact O-CG 3.42Å; Q130-L134 PolarHBondContact O-N 2.87Å; Q130-L134 VanDerWaalsContact O-N 3.13Å; R131-L134 PolarHBondContact O-N 3.35Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 2.72Å; L134-R138 VanDerWaalsContact O-CB 3.32Å; L134-R138 WeakPolarHBondContact O-CB 3.42Å; L134-R138 PolarHBondContact O-N 2.68Å
135R90.1Very high81.4Confident113 Ų113102.6 Ų102.643%0.42648%0.484SS..Hα-helixtrans-63.1-45174.7-162.5-169.270.1677.7111.2R131 E132 V133 R138 Q139R131-R135 WeakPolarHBondContact O-CB 3.2Å; R131-R135 PolarHBondContact O-N 3.34Å; E132-R135 WeakPolarHBondContact O-CB 3.36Å; E132-R135 PolarHBondContact O-N 2.83Å; E132-R135 VanDerWaalsContact O-N 3.14Å; E132-R135 IonicContact OE1-CZ 3.16Å; E132-R135 VanDerWaalsContact OE1-CZ 3.22Å; E132-R135 IonicContact OE1-NE 2.68Å; E132-R135 PolarHBondContact OE1-NE 3.05Å; E132-R135 IonicContact OE1-NH2 2.73Å; E132-R135 PolarHBondContact OE1-NH2 2.91Å; E132-R135 WeakPolarHBondContact OE2-CD 3.36Å; E132-R135 IonicContact OE2-CZ 3.11Å; E132-R135 IonicContact OE2-NE 3.62Å; E132-R135 PolarHBondContact OE2-NE 2.83Å; E132-R135 IonicContact OE2-NH2 2.72Å; V133-R135 VanDerWaalsContact C-N 3.35Å; V133-R135 PolarHBondContact O-N 2.9Å; R135-R138 PolarHBondContact O-N 2.84Å; R135-Q139 PolarHBondContact O-N 2.66Å
136L88.1Confident80.5Confident76 Ų76108 Ų10840%0.39850%0.498SS..Hα-helixtrans-69.9-44.4178.3-69.4169.9000112E132 V133 R138 Q139 I140E132-L136 HydrophobicContact CG-CD1 4.28Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 WeakPolarHBondContact O-CG 3.48Å; E132-L136 PolarHBondContact O-N 3.24Å; V133-L136 PolarHBondContact O-N 3.43Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 3.38Å; L136-Q139 PolarHBondContact O-N 2.9Å; L136-Q139 VanDerWaalsContact O-N 3.09Å; L136-I140 WeakPolarHBondContact O-CG1 3.34Å; L136-I140 PolarHBondContact O-N 2.96Å
137Q82.1Confident79.4Confident114 Ų114110.1 Ų110.153%0.53351%0.506SS..Hα-helixtrans-57.8-39.6172.2-77.9-178.7-17.400111.6V133 I140 A141V133-Q137 HydrophobicContact CG1-CG 4.42Å; V133-Q137 WeakPolarHBondContact O-CB 3.47Å; V133-Q137 WeakPolarHBondContact O-CG 3.31Å; V133-Q137 PolarHBondContact O-N 3.38Å; Q137-I140 PolarHBondContact O-N 3.26Å; Q137-A141 WeakPolarHBondContact O-CB 3.4Å; Q137-A141 PolarHBondContact O-N 3.49Å
138R82.6Confident78Confident185 Ų185109.1 Ų109.170%0.69852%0.515SS*.Hα-helixtrans-66.7-37.9174.5-168.3178.1-177-157.31112.5L134 R135 L136 L142L134-R138 VanDerWaalsContact O-CB 3.32Å; L134-R138 WeakPolarHBondContact O-CB 3.42Å; L134-R138 PolarHBondContact O-N 2.68Å; R135-R138 PolarHBondContact O-N 2.84Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 3.38Å; R138-L142 HydrophobicContact CG-CD1 4.22Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 VanDerWaalsContact O-CG 3.26Å; R138-L142 WeakPolarHBondContact O-CG 3.23Å; R138-L142 PolarHBondContact O-N 3.49Å
139Q81.4Confident76.3Confident105 Ų105111.5 Ų111.549%0.49153%0.529SS..Hα-helixtrans-64.8-41.1172-75.3-167.6-83.400112.2R135 L136 L142 R143R135-Q139 PolarHBondContact O-N 2.66Å; L136-Q139 PolarHBondContact O-N 2.9Å; L136-Q139 VanDerWaalsContact O-N 3.09Å; Q139-L142 PolarHBondContact O-N 2.71Å; Q139-R143 WeakPolarHBondContact O-CB 3.4Å; Q139-R143 PolarHBondContact O-N 3.29Å
140I82.6Confident74.7Confident97 Ų97114.1 Ų114.150%0.49755%0.545SS..Hα-helixtrans-65.2-45.1176.7-66.4163.7000110.4L136 Q137 L142 R143 N144L136-I140 WeakPolarHBondContact O-CG1 3.34Å; L136-I140 PolarHBondContact O-N 2.96Å; Q137-I140 PolarHBondContact O-N 3.26Å; I140-L142 PolarHBondContact O-N 2.95Å; I140-R143 WeakPolarHBondContact O-CB 3.41Å; I140-R143 PolarHBondContact O-N 2.93Å; I140-R143 VanDerWaalsContact O-N 3.14Å; I140-N144 WeakPolarHBondContact O-CB 3.05Å; I140-N144 PolarHBondContact O-N 3.01Å; I140-N144 PolarHBondContact O-OD1 3.04Å; I140-N144 VanDerWaalsContact O-OD1 3.06Å
141A77.7Confident73.2Confident46 Ų46117.1 Ų117.138%0.3856%0.563SS.*Hα-helixtrans-59.5-43.3175.700000112.5Q137 R143 N144 Q145Q137-A141 WeakPolarHBondContact O-CB 3.4Å; Q137-A141 PolarHBondContact O-N 3.49Å; A141-R143 VanDerWaalsContact C-N 3.34Å; A141-N144 PolarHBondContact O-N 3.25Å; A141-Q145 WeakPolarHBondContact O-CB 3.26Å; A141-Q145 VanDerWaalsContact O-CG 3.3Å; A141-Q145 WeakPolarHBondContact O-CG 3.5Å; A141-Q145 PolarHBondContact O-N 2.84Å
142L79.9Confident71.5Confident92 Ų92114.7 Ų114.748%0.48257%0.568SS.*Hα-helixtrans-69.1-29175.8-71.5169.1000113.2R138 Q139 I140 R146R138-L142 HydrophobicContact CG-CD1 4.22Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 VanDerWaalsContact O-CG 3.26Å; R138-L142 WeakPolarHBondContact O-CG 3.23Å; R138-L142 PolarHBondContact O-N 3.49Å; Q139-L142 PolarHBondContact O-N 2.71Å; I140-L142 PolarHBondContact O-N 2.95Å; L142-R146 PolarHBondContact O-N 2.87Å
143R80.6Confident69.5Low155 Ų155117.2 Ų117.259%0.58559%0.591SS**Hα-helixtrans-70.7-50.7171.9179.3-179.4169.8-166-11.8110.7Q139 I140 A141 Q145 R146 E147Q139-R143 WeakPolarHBondContact O-CB 3.4Å; Q139-R143 PolarHBondContact O-N 3.29Å; I140-R143 WeakPolarHBondContact O-CB 3.41Å; I140-R143 PolarHBondContact O-N 2.93Å; I140-R143 VanDerWaalsContact O-N 3.14Å; A141-R143 VanDerWaalsContact C-N 3.34Å; R143-Q145 VanDerWaalsContact C-N 3.28Å; R143-Q145 PolarHBondContact O-N 3.29Å; R143-R146 WeakPolarHBondContact O-CA 3.41Å; R143-R146 WeakPolarHBondContact O-CB 3.42Å; R143-R146 PolarHBondContact O-N 2.82Å; R143-E147 IonicContact CZ-OE1 2.81Å; R143-E147 IonicContact NE-OE1 2.98Å; R143-E147 PolarHBondContact NE-OE1 3.31Å; R143-E147 IonicContact NE-OE2 2.67Å; R143-E147 IonicContact NH2-OE1 3.33Å; R143-E147 PolarHBondContact NH2-OE1 2.98Å; R143-E147 IonicContact NH2-OE2 2.63Å; R143-E147 PolarHBondContact O-N 3.3Å
144N71.5Confident67.1Low80 Ų80119 Ų11943%0.42861%0.606SS.*Hα-helixtrans-60-39.7-179-65.110.5000111I140 A141 R146 E147 T148I140-N144 WeakPolarHBondContact O-CB 3.05Å; I140-N144 PolarHBondContact O-N 3.01Å; I140-N144 PolarHBondContact O-OD1 3.04Å; I140-N144 VanDerWaalsContact O-OD1 3.06Å; A141-N144 PolarHBondContact O-N 3.25Å; N144-R146 VanDerWaalsContact C-N 3.27Å; N144-R146 PolarHBondContact O-N 3.46Å; N144-E147 PolarHBondContact O-N 2.88Å; N144-E147 VanDerWaalsContact O-N 3.09Å; N144-T148 PolarHBondContact O-N 3.48Å; N144-T148 PolarHBondContact O-OG1 3.42Å
145Q66.9Low64.5Low123 Ų123125.8 Ų125.858%0.57563%0.625SS**Hα-helixtrans-60.9-31.1173.2-75.4175.213.300113.8A141 R143 T148A141-Q145 WeakPolarHBondContact O-CB 3.26Å; A141-Q145 VanDerWaalsContact O-CG 3.3Å; A141-Q145 WeakPolarHBondContact O-CG 3.5Å; A141-Q145 PolarHBondContact O-N 2.84Å; R143-Q145 VanDerWaalsContact C-N 3.28Å; R143-Q145 PolarHBondContact O-N 3.29Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.41Å; Q145-T148 PolarHBondContact O-OG1 2.93Å; Q145-T148 VanDerWaalsContact O-OG1 3.08Å
146R63Low62.4Low207 Ų207126 Ų12678%0.78164%0.641SS**Hα-helixtrans-76.7-30173.2-76.7176.6164.4-177.7-5.2112.8L142 R143 N144L142-R146 PolarHBondContact O-N 2.87Å; R143-R146 WeakPolarHBondContact O-CA 3.41Å; R143-R146 WeakPolarHBondContact O-CB 3.42Å; R143-R146 PolarHBondContact O-N 2.82Å; N144-R146 VanDerWaalsContact C-N 3.27Å; N144-R146 PolarHBondContact O-N 3.46Å
147E56.5Low60.4Low119 Ų119128.3 Ų128.356%0.55666%0.661SS**Hα-helixtrans-79.9-17177.5-69.1175.6173.400112.6R143 N144R143-E147 IonicContact CZ-OE1 2.81Å; R143-E147 IonicContact NE-OE1 2.98Å; R143-E147 PolarHBondContact NE-OE1 3.31Å; R143-E147 IonicContact NE-OE2 2.67Å; R143-E147 IonicContact NH2-OE1 3.33Å; R143-E147 PolarHBondContact NH2-OE1 2.98Å; R143-E147 IonicContact NH2-OE2 2.63Å; R143-E147 PolarHBondContact O-N 3.3Å; N144-E147 PolarHBondContact O-N 2.88Å; N144-E147 VanDerWaalsContact O-N 3.09Å
148T46.9Very low58Low111 Ų111126.4 Ų126.468%0.68167%0.671SS**THydrogen-bonded Turntrans-89.27.2175.849.60000115.8N144 Q145N144-T148 PolarHBondContact O-N 3.48Å; N144-T148 PolarHBondContact O-OG1 3.42Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.41Å; Q145-T148 PolarHBondContact O-OG1 2.93Å; Q145-T148 VanDerWaalsContact O-OG1 3.08Å
149L47Very low56.3Low129 Ų129123.6 Ų123.668%0.67568%0.677SS**SBendtrans-96.2127.8178.4-76.9168.5000111.8
150P49.3Very low54.1Low121 Ų121123.2 Ų123.279%0.78669%0.692SS**PPolyproline II helixtrans-62.4137.9175.3-23.334.2000113.1
151L45.7Very low51.9Low168 Ų168127 Ų12788%0.8871%0.712SS**PPolyproline II helixtrans-71.7129.4177.4-71.5164.5000111.9
152P47.8Very low49.8Very low108 Ų108133.8 Ų133.870%0.70174%0.736SS**PPolyproline II helixtrans-74.5157.5157.232.7-32.5000110.7
153P44.3Very low47.7Very low131 Ų131134.4 Ų134.485%0.85176%0.755SS**PPolyproline II helixtrans-71.5157.6-169.928.2-35.6000114.6
154S38.2Very low45.3Very low109 Ų109138.5 Ų138.576%0.76277%0.77SS**PPolyproline II helixtrans-76.6148.9-174.450.10000114.7
155W32.6Very low43.5Very low252 Ų252139.6 Ų139.696%0.95579%0.79SS**  trans-121.4151155.8-88.1-0.9000110.1
156P46.2Very low41.8Very low117 Ų117137.7 Ų137.776%0.7680%0.803SS**PPolyproline II helixtrans-80.9162.6-163.631.8-36.9000115
157P45.4Very low40.4Very low126 Ų126132.4 Ų132.482%0.81880%0.804SS**PPolyproline II helixtrans-80.2143.4-173.132.1-36.2000114.3
158G32.5Very low39.7Very low73 Ų73132.6 Ų132.675%0.75382%0.816SS**PPolyproline II helixtrans-85.1136165.400000111.8
159P46.8Very low39.1Very low126 Ų126131.5 Ų131.582%0.81882%0.818SS**PPolyproline II helixtrans-80157.8-176.532.3-35.8000113.5
160A35.1Very low39.1Very low97 Ų97131.7 Ų131.780%0.80283%0.827SS**PPolyproline II helixtrans-75.4139178.700000112.8Q162A160-Q162 PolarHBondContact O-N 2.85Å
161L35.8Very low38.2Very low176 Ų176129.8 Ų129.892%0.92183%0.829SS**  trans-89.596.2171.6-77.4169.4000111.1
162Q34.7Very low37.6Very low189 Ų189126.4 Ų126.488%0.88383%0.826SS**  trans-77.6126.7154.8-69.9-173.42.400108.9A160A160-Q162 PolarHBondContact O-N 2.85Å
163A34.7Very low37.6Very low106 Ų106127.9 Ų127.988%0.87684%0.835SS**  trans-97.7104.1-178.800000111.8
164R30Very low37Very low240 Ų240125.3 Ų125.391%0.90683%0.832SS**  trans-151.6114.7159.6-158.5167.6-175.7171.30.6114.1
165A34.9Very low36.6Very low103 Ų103129.4 Ų129.485%0.85184%0.84SS**  trans24.5122.5154.500000121
166G30.8Very low36.5Very low83 Ų83122.2 Ų122.286%0.85683%0.833SS**  trans-178.6127.3160.600000112.8
167A32.8Very low36Very low96 Ų96122.2 Ų122.279%0.79383%0.832SS**  trans-92.5173164.900000108.9
168P41.3Very low35.8Very low124 Ų124122.4 Ų122.481%0.80583%0.833SS**  cis-142.8-168.318.540.9-18.7000116.4
169A36.3Very low35.7Very low87 Ų87125.6 Ų125.672%0.71983%0.828SS**  trans-77.2175.8158.200000110.6
170P46.9Very low35.1Very low133 Ų133129 Ų12986%0.86483%0.833SS**  cis-136.6-175.213.243.6-25.7000115.8
171G30.1Very low35.1Very low81 Ų81130.3 Ų130.384%0.83583%0.827SS**  trans166.3122.4164.600000116.3
172A33.4Very low35.2Very low98 Ų98125.9 Ų125.981%0.8182%0.815SS**  trans-122.7173.1158.600000106.8
173P46.2Very low35.4Very low138 Ų138123.9 Ų123.990%0.89681%0.811SS**  cis-134.3-165.612.943.6-25.5000114.3
174G31.4Very low35.3Very low77 Ų77125.6 Ų125.679%0.79481%0.805SS**  trans169.3103.2166.600000113.2
175E31.2Very low36.1Very low196 Ų196121 Ų12192%0.91680%0.798SS**  trans-90.8149.6177.5-68.4170.593.300112.8
176A30.1Very low36.7Very low100 Ų100122.1 Ų122.183%0.82680%0.797SS**  trans-154.8122.514500000109.2
177T35.5Very low37.5Very low118 Ų118123.1 Ų123.172%0.72479%0.786SS**  trans-81.6172.2169.949.80000110.7
178P41.6Very low37.9Very low130 Ų130125.7 Ų125.784%0.84479%0.785SS**  -128.5159.39737.4-32000113.7
179Q29.8Very low38.2Very low140 Ų140128 Ų12865%0.65479%0.789SS**  trans-126.5135.2175.4166.4-178-25.800108.1D181Q179-D181 VanDerWaalsContact NE2-CG 3.32Å; Q179-D181 PolarHBondContact NE2-OD1 3.06Å; Q179-D181 PolarHBondContact NE2-OD2 2.89Å
180E35.4Very low38.6Very low196 Ų196125.6 Ų125.692%0.91677%0.773SS**  trans-138.1154.3150.3-73.5-161.4134.700108
181D34.2Very low38.8Very low126 Ų126125.5 Ų125.567%0.67476%0.761SS**  trans-114.5178.6-153.9-71.9-77.1000114.8Q179Q179-D181 VanDerWaalsContact NE2-CG 3.32Å; Q179-D181 PolarHBondContact NE2-OD1 3.06Å; Q179-D181 PolarHBondContact NE2-OD2 2.89Å
182A37.8Very low40.2Very low82 Ų82125.3 Ų125.368%0.67875%0.745SS**  trans76.891.5152.600000120
183D39.5Very low41.5Very low148 Ų148126.5 Ų126.579%0.79173%0.734SS**  78.9140.5111-72.9-24.7000124.6
184N32.8Very low42.7Very low142 Ų142126.9 Ų126.976%0.75972%0.721SS**  trans67.997155-74.1-61.3000120.8
185L46.9Very low44.7Very low142 Ų142128.5 Ų128.574%0.74371%0.708SS**  trans16137.9131.9-10269.2000119.1V187L185-V187 HydrophobicContact CD2-CG2 3.95Å; L185-V187 HydrophobicContact CG-CG2 4.3Å
186P46.3Very low47Very low128 Ų128125.3 Ų125.383%0.83169%0.693SS**  -123.9144.281.936.2-33.2000115.6
187V48.9Very low49.6Very low104 Ų104128 Ų12863%0.6368%0.683SS**  trans-69.1131.2155.5169.20000108.3L185L185-V187 HydrophobicContact CD2-CG2 3.95Å; L185-V187 HydrophobicContact CG-CG2 4.3Å
188I40.9Very low51.9Low150 Ų150126 Ų12677%0.76967%0.67SS**  trans-177.1130.5142.5-101.1155.6000111.1
189L46.5Very low54Low171 Ų171125.6 Ų125.690%0.89566%0.656SS**SBendtrans50.781.3160.4-62.9171.4000118.4
190G45Very low56.8Low37 Ų37124.3 Ų124.338%0.38165%0.651SS.*  trans-161.518.9164.700000115.3K194G190-K194 WeakPolarHBondContact O-CD 3.28Å; G190-K194 WeakPolarHBondContact O-CE 3.45Å; G190-K194 WeakPolarHBondContact O-CG 3.38Å
191E51.7Low59.4Low131 Ų131120 Ų12061%0.61263%0.633SS**  trans-90.4-40.9-167.3-60-173127.800115.6E193 K194 E195E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.22Å; E191-K194 WeakPolarHBondContact O-CB 3.21Å; E191-K194 PolarHBondContact O-N 3.45Å; E191-E195 WeakPolarHBondContact O-CG 3.34Å; E191-E195 PolarHBondContact O-N 2.75Å
192P58.7Low62.1Low78 Ų78119.5 Ų119.551%0.50663%0.627SS.*Hα-helixtrans-65.6-30.9-173.124.8-34.3000113.7Q196P192-Q196 WeakPolarHBondContact O-CB 3.48Å; P192-Q196 WeakPolarHBondContact O-CG 3.46Å; P192-Q196 PolarHBondContact O-N 3.37Å
193E61.3Low64.5Low123 Ų123117.6 Ų117.658%0.57561%0.609SS**Hα-helixtrans-69.1-33.1173-73.3-163.3-16100112.9E191 R197E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.22Å; E193-R197 WeakPolarHBondContact O-CB 3.35Å; E193-R197 WeakPolarHBondContact O-CD 3.3Å; E193-R197 WeakPolarHBondContact O-CG 3.49Å; E193-R197 PolarHBondContact O-N 2.98Å; E193-R197 VanDerWaalsContact O-N 3.1Å; E193-R197 IonicContact OE2-NH2 3.73Å
194K70.7Confident67.1Low145 Ų145114.2 Ų114.263%0.6359%0.588SS**Hα-helixtrans-72.4-44177-65.4177-174.4175.10109.8G190 E191 R197 V198G190-K194 WeakPolarHBondContact O-CD 3.28Å; G190-K194 WeakPolarHBondContact O-CE 3.45Å; G190-K194 WeakPolarHBondContact O-CG 3.38Å; E191-K194 WeakPolarHBondContact O-CB 3.21Å; E191-K194 PolarHBondContact O-N 3.45Å; K194-R197 PolarHBondContact O-N 3.2Å; K194-V198 WeakPolarHBondContact O-CG2 3.45Å; K194-V198 PolarHBondContact O-N 3.27Å
195E75.1Confident70Confident111 Ų111112.1 Ų112.152%0.51958%0.577SS.*Hα-helixtrans-59.4-46173.8-68.3176.1160.600112E191 R197 V198 Q199E191-E195 WeakPolarHBondContact O-CG 3.34Å; E191-E195 PolarHBondContact O-N 2.75Å; E195-R197 PolarHBondContact O-N 3Å; E195-V198 PolarHBondContact O-N 3.09Å; E195-Q199 WeakPolarHBondContact O-CB 3.25Å; E195-Q199 WeakPolarHBondContact O-CG 3.4Å; E195-Q199 PolarHBondContact O-N 2.97Å
196Q78.8Confident72.2Confident129 Ų129108 Ų10860%0.60356%0.559SS**Hα-helixtrans-61.5-41.3176.1-75.6172.51600112.4P192 Q199 Q200P192-Q196 WeakPolarHBondContact O-CB 3.48Å; P192-Q196 WeakPolarHBondContact O-CG 3.46Å; P192-Q196 PolarHBondContact O-N 3.37Å; Q196-Q199 PolarHBondContact O-N 3.42Å; Q196-Q200 WeakPolarHBondContact O-CB 3.38Å; Q196-Q200 PolarHBondContact O-N 2.89Å
197R84.3Confident74.5Confident158 Ų158108.2 Ų108.260%0.59655%0.547SS*.Hα-helixtrans-64.9-40.6174.7-71.6166.2-168.8-107.36.7111.8E193 K194 E195 Q200 L201E193-R197 WeakPolarHBondContact O-CB 3.35Å; E193-R197 WeakPolarHBondContact O-CD 3.3Å; E193-R197 WeakPolarHBondContact O-CG 3.49Å; E193-R197 PolarHBondContact O-N 2.98Å; E193-R197 VanDerWaalsContact O-N 3.1Å; E193-R197 IonicContact OE2-NH2 3.73Å; K194-R197 PolarHBondContact O-N 3.2Å; E195-R197 PolarHBondContact O-N 3Å; R197-Q200 PolarHBondContact O-N 3.14Å; R197-L201 WeakPolarHBondContact O-CB 3.32Å; R197-L201 VanDerWaalsContact O-CG 3.26Å; R197-L201 WeakPolarHBondContact O-CG 3.39Å; R197-L201 PolarHBondContact O-N 3.11Å
198V83.9Confident76.7Confident76 Ų76109.8 Ų109.846%0.46155%0.546SS..Hα-helixtrans-62.4-51.2174.2169.30000110.4K194 E195 Q200 L201 E202K194-V198 WeakPolarHBondContact O-CG2 3.45Å; K194-V198 PolarHBondContact O-N 3.27Å; E195-V198 PolarHBondContact O-N 3.09Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.44Å; V198-L201 CarbonylContact O-C 3.57Å; V198-L201 PolarHBondContact O-N 3.21Å; V198-L201 VanDerWaalsContact O-N 3.11Å; V198-E202 HydrophobicContact CG1-CG 4.23Å; V198-E202 WeakPolarHBondContact O-CB 3.41Å; V198-E202 WeakPolarHBondContact O-CG 3.34Å; V198-E202 PolarHBondContact O-N 2.96Å
199Q85.8Confident79.3Confident120 Ų120111.3 Ų111.356%0.56154%0.542SS*.Hα-helixtrans-60.1-37.9178-70.8175.619.500112.6E195 Q196 S203E195-Q199 WeakPolarHBondContact O-CB 3.25Å; E195-Q199 WeakPolarHBondContact O-CG 3.4Å; E195-Q199 PolarHBondContact O-N 2.97Å; Q196-Q199 PolarHBondContact O-N 3.42Å; Q199-S203 WeakPolarHBondContact O-CB 3.47Å; Q199-S203 PolarHBondContact O-N 2.89Å
200Q88.3Confident81.6Confident114 Ų114109.8 Ų109.853%0.53353%0.528SS..Hα-helixtrans-61.6-51.9172.8-179.4179.7-18.300110.7Q196 R197 V198 E202 S203 E204Q196-Q200 WeakPolarHBondContact O-CB 3.38Å; Q196-Q200 PolarHBondContact O-N 2.89Å; R197-Q200 PolarHBondContact O-N 3.14Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.44Å; Q200-E202 VanDerWaalsContact C-N 3.32Å; Q200-E202 PolarHBondContact O-N 2.97Å; Q200-S203 WeakPolarHBondContact O-CA 3.31Å; Q200-S203 WeakPolarHBondContact O-CB 3.47Å; Q200-S203 PolarHBondContact O-N 3.36Å; Q200-S203 VanDerWaalsContact O-N 3.09Å; Q200-S203 PolarHBondContact O-OG 3.38Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.34Å; Q200-E204 PolarHBondContact NE2-OE1 3.42Å; Q200-E204 PolarHBondContact O-N 2.83Å
201L90.4Very high84.1Confident105 Ų105114.7 Ų114.755%0.5554%0.539SS..Hα-helixtrans-61.8-37.4179.6-72.2170000112R197 V198 E204 L205R197-L201 WeakPolarHBondContact O-CB 3.32Å; R197-L201 VanDerWaalsContact O-CG 3.26Å; R197-L201 WeakPolarHBondContact O-CG 3.39Å; R197-L201 PolarHBondContact O-N 3.11Å; V198-L201 CarbonylContact O-C 3.57Å; V198-L201 PolarHBondContact O-N 3.21Å; V198-L201 VanDerWaalsContact O-N 3.11Å; L201-E204 PolarHBondContact O-N 3Å; L201-L205 VanDerWaalsContact O-CB 3.3Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.89Å
202E89.9Confident86Confident115 Ų115112.4 Ų112.454%0.53754%0.536SS..Hα-helixtrans-63.9-42.2171.6-73.6178158.300111.7V198 Q200 E204 L205 S206V198-E202 HydrophobicContact CG1-CG 4.23Å; V198-E202 WeakPolarHBondContact O-CB 3.41Å; V198-E202 WeakPolarHBondContact O-CG 3.34Å; V198-E202 PolarHBondContact O-N 2.96Å; Q200-E202 VanDerWaalsContact C-N 3.32Å; Q200-E202 PolarHBondContact O-N 2.97Å; E202-E204 VanDerWaalsContact C-N 3.29Å; E202-E204 PolarHBondContact O-N 2.89Å; E202-L205 PolarHBondContact O-N 3.41Å; E202-S206 WeakPolarHBondContact O-CB 3.46Å; E202-S206 PolarHBondContact O-N 2.97Å
203S89.9Confident87.8Confident43 Ų43113.9 Ų113.930%0.30154%0.536SS..Hα-helixtrans-62.6-38.2174.594.30000111.6Q199 Q200 K207Q199-S203 WeakPolarHBondContact O-CB 3.47Å; Q199-S203 PolarHBondContact O-N 2.89Å; Q200-S203 WeakPolarHBondContact O-CA 3.31Å; Q200-S203 WeakPolarHBondContact O-CB 3.47Å; Q200-S203 PolarHBondContact O-N 3.36Å; Q200-S203 VanDerWaalsContact O-N 3.09Å; Q200-S203 PolarHBondContact O-OG 3.38Å; S203-K207 VanDerWaalsContact O-CD 3.23Å; S203-K207 WeakPolarHBondContact O-CD 3.47Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 3.32Å; S203-K207 PolarHBondContact OG-NZ 2.92Å
204E93.4Very high89.4Confident77 Ų77111.5 Ų111.536%0.3653%0.534SS..Hα-helixtrans-73.4-44.5178.5-73.2-172.7-143.200111.6Q200 L201 E202 S206 K207 K208Q200-E204 WeakPolarHBondContact CG-OE1 3.34Å; Q200-E204 PolarHBondContact NE2-OE1 3.42Å; Q200-E204 PolarHBondContact O-N 2.83Å; L201-E204 PolarHBondContact O-N 3Å; E202-E204 VanDerWaalsContact C-N 3.29Å; E202-E204 PolarHBondContact O-N 2.89Å; E204-S206 VanDerWaalsContact C-N 3.28Å; E204-S206 PolarHBondContact O-N 3.41Å; E204-K207 PolarHBondContact O-N 2.98Å; E204-K208 WeakPolarHBondContact O-CB 3.34Å; E204-K208 WeakPolarHBondContact O-CG 3.44Å; E204-K208 PolarHBondContact O-N 3.01Å
205L93.8Very high90.6Very high98 Ų98108.9 Ų108.951%0.51353%0.526SS..Hα-helixtrans-60.1-38171.6-73.5171.6000111.4L201 E202 K208 R209L201-L205 VanDerWaalsContact O-CB 3.3Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.89Å; E202-L205 PolarHBondContact O-N 3.41Å; L205-K208 PolarHBondContact O-N 2.78Å; L205-R209 WeakPolarHBondContact O-CB 3.49Å; L205-R209 WeakPolarHBondContact O-CG 3.37Å; L205-R209 PolarHBondContact O-N 3.49Å
206S91.9Very high91.6Very high55 Ų55108.2 Ų108.239%0.38552%0.523SS..Hα-helixtrans-63.9-46.2173.8-175.70000111.9E202 E204 K208 R209 K210E202-S206 WeakPolarHBondContact O-CB 3.46Å; E202-S206 PolarHBondContact O-N 2.97Å; E204-S206 VanDerWaalsContact C-N 3.28Å; E204-S206 PolarHBondContact O-N 3.41Å; S206-K208 VanDerWaalsContact C-N 3.35Å; S206-K208 PolarHBondContact O-N 3.3Å; S206-R209 PolarHBondContact O-N 3.34Å; S206-K210 WeakPolarHBondContact O-CG 3.48Å; S206-K210 PolarHBondContact O-N 2.96Å
207K95.6Very high92.4Very high133 Ų133106.6 Ų106.658%0.57852%0.515SS*.Hα-helixtrans-60.6-41.7173-68.2155.5-168.41550111.7S203 E204 K211S203-K207 VanDerWaalsContact O-CD 3.23Å; S203-K207 WeakPolarHBondContact O-CD 3.47Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 3.32Å; S203-K207 PolarHBondContact OG-NZ 2.92Å; E204-K207 PolarHBondContact O-N 2.98Å; K207-K211 PolarHBondContact O-N 3.35Å
208K95.1Very high93Very high137 Ų137103.1 Ų103.160%0.59651%0.506SS*.Hα-helixtrans-68.1-44.7178.6-63.6-88.8-177.4168.20111.3E204 L205 S206 K210 K211 C212E204-K208 WeakPolarHBondContact O-CB 3.34Å; E204-K208 WeakPolarHBondContact O-CG 3.44Å; E204-K208 PolarHBondContact O-N 3.01Å; L205-K208 PolarHBondContact O-N 2.78Å; S206-K208 VanDerWaalsContact C-N 3.35Å; S206-K208 PolarHBondContact O-N 3.3Å; K208-K210 PolarHBondContact O-N 3.13Å; K208-K211 CarbonylContact O-C 3.58Å; K208-K211 PolarHBondContact O-N 3.4Å; K208-K211 VanDerWaalsContact O-N 3.13Å; K208-C212 PolarHBondContact O-N 3.02Å; K208-C212 PolarHBondContact O-SG 3.5Å
209R95Very high93.6Very high182 Ų182102 Ų10269%0.68750%0.504SS*.Hα-helixtrans-56.4-49.8174.5-76.4172.6-170.6-82.93.8111.3L205 S206 K211 C212 E213L205-R209 WeakPolarHBondContact O-CB 3.49Å; L205-R209 WeakPolarHBondContact O-CG 3.37Å; L205-R209 PolarHBondContact O-N 3.49Å; S206-R209 PolarHBondContact O-N 3.34Å; R209-K211 VanDerWaalsContact C-N 3.3Å; R209-K211 PolarHBondContact O-N 2.89Å; R209-C212 WeakPolarHBondContact O-CB 3.33Å; R209-C212 PolarHBondContact O-N 3.34Å; R209-C212 VanDerWaalsContact O-N 3.14Å; R209-E213 WeakPolarHBondContact O-CB 3.37Å; R209-E213 PolarHBondContact O-N 3.19Å
210K96.1Very high94.1Very high138 Ų138102.8 Ų102.860%0.650%0.502SS*.Hα-helixtrans-60.8-36175.5-69.5178.1-178.4-175.70112.8S206 K208 S214S206-K210 WeakPolarHBondContact O-CG 3.48Å; S206-K210 PolarHBondContact O-N 2.96Å; K208-K210 PolarHBondContact O-N 3.13Å; K210-S214 WeakPolarHBondContact O-CB 3.44Å; K210-S214 PolarHBondContact O-N 2.9Å
211K95.6Very high94.6Very high140 Ų140103.7 Ų103.761%0.60951%0.505SS*.Hα-helixtrans-68.8-41.5173.2-173.2171.6-178.8175.20112.2K207 K208 R209 S214 L215K207-K211 PolarHBondContact O-N 3.35Å; K208-K211 CarbonylContact O-C 3.58Å; K208-K211 PolarHBondContact O-N 3.4Å; K208-K211 VanDerWaalsContact O-N 3.13Å; R209-K211 VanDerWaalsContact C-N 3.3Å; R209-K211 PolarHBondContact O-N 2.89Å; K211-S214 PolarHBondContact O-N 3.42Å; K211-L215 HydrophobicContact CG-CD1 4.09Å; K211-L215 WeakPolarHBondContact O-CB 3.39Å; K211-L215 VanDerWaalsContact O-CG 3.3Å; K211-L215 WeakPolarHBondContact O-CG 3.34Å; K211-L215 PolarHBondContact O-N 2.96Å
212C93.1Very high94.9Very high83 Ų83104.4 Ų104.456%0.56150%0.503SS*.Hα-helixtrans-62.2-45.7174.9-68.70000111.4K208 R209 S214 L215 E216K208-C212 PolarHBondContact O-N 3.02Å; K208-C212 PolarHBondContact O-SG 3.5Å; R209-C212 WeakPolarHBondContact O-CB 3.33Å; R209-C212 PolarHBondContact O-N 3.34Å; R209-C212 VanDerWaalsContact O-N 3.14Å; C212-S214 PolarHBondContact O-N 3Å; C212-L215 PolarHBondContact O-N 3.01Å; C212-E216 WeakPolarHBondContact O-CB 3.38Å; C212-E216 PolarHBondContact O-N 3.48Å
213E95.6Very high95.3Very high109 Ų109104.1 Ų104.151%0.50950%0.502SS..Hα-helixtrans-59.1-44.2175.5-175.8-176.2-177.300111.9R209 E216 Q217R209-E213 WeakPolarHBondContact O-CB 3.37Å; R209-E213 PolarHBondContact O-N 3.19Å; E213-E216 PolarHBondContact O-N 3.23Å; E213-Q217 WeakPolarHBondContact O-CG 3.32Å; E213-Q217 PolarHBondContact O-N 2.95Å
214S95.3Very high95.7Very high74 Ų74109.5 Ų109.552%0.51752%0.515SS..Hα-helixtrans-62.8-43.9175.6-177.70000112.5K210 K211 C212 E216 Q217 E218K210-S214 WeakPolarHBondContact O-CB 3.44Å; K210-S214 PolarHBondContact O-N 2.9Å; K211-S214 PolarHBondContact O-N 3.42Å; C212-S214 PolarHBondContact O-N 3Å; S214-E216 VanDerWaalsContact C-N 3.34Å; S214-Q217 PolarHBondContact O-N 3.13Å; S214-E218 PolarHBondContact O-N 3.44Å
215L96.2Very high95.9Very high89 Ų89114.4 Ų114.447%0.46653%0.531SS..Hα-helixtrans-66.7-33.9175.3-72169.7000112.3K211 C212 E218 A219K211-L215 HydrophobicContact CG-CD1 4.09Å; K211-L215 WeakPolarHBondContact O-CB 3.39Å; K211-L215 VanDerWaalsContact O-CG 3.3Å; K211-L215 WeakPolarHBondContact O-CG 3.34Å; K211-L215 PolarHBondContact O-N 2.96Å; C212-L215 PolarHBondContact O-N 3.01Å; L215-E218 PolarHBondContact O-N 2.9Å; L215-A219 WeakPolarHBondContact O-CB 3.46Å; L215-A219 PolarHBondContact O-N 2.96Å
216E95.2Very high95.9Very high97 Ų97113.1 Ų113.145%0.45353%0.529SS..Hα-helixtrans-68.8-42.1174.8-164.6-168.8167.800111.1C212 E213 S214 E218 A219 R220C212-E216 WeakPolarHBondContact O-CB 3.38Å; C212-E216 PolarHBondContact O-N 3.48Å; E213-E216 PolarHBondContact O-N 3.23Å; S214-E216 VanDerWaalsContact C-N 3.34Å; E216-E218 VanDerWaalsContact C-N 3.28Å; E216-E218 PolarHBondContact O-N 2.94Å; E216-A219 PolarHBondContact O-N 3.17Å; E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 VanDerWaalsContact O-CG 3.23Å; E216-R220 WeakPolarHBondContact O-CG 3.5Å; E216-R220 PolarHBondContact O-N 2.65Å; E216-R220 IonicContact OE1-CZ 3.03Å; E216-R220 IonicContact OE1-NE 2.64Å; E216-R220 PolarHBondContact OE1-NE 3.45Å; E216-R220 IonicContact OE1-NH2 3.95Å; E216-R220 PolarHBondContact OE1-NH2 3.25Å; E216-R220 IonicContact OE2-NH2 3.21Å
217Q96.2Very high96.2Very high96 Ų96114.8 Ų114.845%0.44953%0.531SS..Hα-helixtrans-62.3-35.3171.7-70.2-178.627.500112.1E213 S214 K221E213-Q217 WeakPolarHBondContact O-CG 3.32Å; E213-Q217 PolarHBondContact O-N 2.95Å; S214-Q217 PolarHBondContact O-N 3.13Å; Q217-K221 VanDerWaalsContact O-CG 3.25Å; Q217-K221 WeakPolarHBondContact O-CG 3.36Å; Q217-K221 PolarHBondContact O-N 3.31Å; Q217-K221 VanDerWaalsContact O-N 3.11Å
218E96.6Very high96.3Very high84 Ų84113.2 Ų113.239%0.39353%0.525SS..Hα-helixtrans-69.1-42.9173.4-161.9-170.5155.200111.7S214 L215 E216 K221 K222S214-E218 PolarHBondContact O-N 3.44Å; L215-E218 PolarHBondContact O-N 2.9Å; E216-E218 VanDerWaalsContact C-N 3.28Å; E216-E218 PolarHBondContact O-N 2.94Å; E218-K221 WeakPolarHBondContact O-CB 3.29Å; E218-K221 PolarHBondContact O-N 2.88Å; E218-K221 VanDerWaalsContact O-N 3.12Å; E218-K222 WeakPolarHBondContact O-CG 3.34Å; E218-K222 PolarHBondContact O-N 2.89Å; E218-K222 WeakPolarHBondContact OE1-CE 3.29Å; E218-K222 IonicContact OE1-NZ 2.96Å; E218-K222 PolarHBondContact OE1-NZ 3.43Å
219A97Very high96.5Very high53 Ų53111 Ų11144%0.43852%0.52SS..Hα-helixtrans-60.4-47.8174.300000111.4L215 E216 K221 K222 Q223L215-A219 WeakPolarHBondContact O-CB 3.46Å; L215-A219 PolarHBondContact O-N 2.96Å; E216-A219 PolarHBondContact O-N 3.17Å; A219-K221 PolarHBondContact O-N 3.03Å; A219-K222 PolarHBondContact O-N 2.79Å; A219-K222 VanDerWaalsContact O-N 3.12Å; A219-Q223 WeakPolarHBondContact O-CB 3.45Å; A219-Q223 PolarHBondContact O-N 2.98Å
220R96.9Very high96.6Very high137 Ų137106.7 Ų106.752%0.51751%0.507SS..Hα-helixtrans-63.3-19.8174.1-67.7171-178.5-155.37.2113.5E216 R224E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 VanDerWaalsContact O-CG 3.23Å; E216-R220 WeakPolarHBondContact O-CG 3.5Å; E216-R220 PolarHBondContact O-N 2.65Å; E216-R220 IonicContact OE1-CZ 3.03Å; E216-R220 IonicContact OE1-NE 2.64Å; E216-R220 PolarHBondContact OE1-NE 3.45Å; E216-R220 IonicContact OE1-NH2 3.95Å; E216-R220 PolarHBondContact OE1-NH2 3.25Å; E216-R220 IonicContact OE2-NH2 3.21Å; R220-R224 PolarHBondContact O-NE 3.05Å; R220-R224 PolarHBondContact O-NH2 3.12Å
221K97.8Very high96.7Very high133 Ų133105 Ų10558%0.57851%0.505SS*.Hα-helixtrans-83.3-42.3170.6-76.2167.6-175.8173.90111.4Q217 E218 A219 R225Q217-K221 VanDerWaalsContact O-CG 3.25Å; Q217-K221 WeakPolarHBondContact O-CG 3.36Å; Q217-K221 PolarHBondContact O-N 3.31Å; Q217-K221 VanDerWaalsContact O-N 3.11Å; E218-K221 WeakPolarHBondContact O-CB 3.29Å; E218-K221 PolarHBondContact O-N 2.88Å; E218-K221 VanDerWaalsContact O-N 3.12Å; A219-K221 PolarHBondContact O-N 3.03Å; K221-R225 PolarHBondContact O-N 3.14Å
222K97.1Very high96.8Very high119 Ų119102.8 Ų102.852%0.51750%0.496SS..Hα-helixtrans-64.2-44.7175.2-72174.4-176.6168.50111.5E218 A219 R224 R225 C226E218-K222 WeakPolarHBondContact O-CG 3.34Å; E218-K222 PolarHBondContact O-N 2.89Å; E218-K222 WeakPolarHBondContact OE1-CE 3.29Å; E218-K222 IonicContact OE1-NZ 2.96Å; E218-K222 PolarHBondContact OE1-NZ 3.43Å; A219-K222 PolarHBondContact O-N 2.79Å; A219-K222 VanDerWaalsContact O-N 3.12Å; K222-R224 PolarHBondContact O-N 3.1Å; K222-R225 CarbonylContact O-C 3.51Å; K222-R225 WeakPolarHBondContact O-CA 3.29Å; K222-R225 WeakPolarHBondContact O-CB 3.36Å; K222-R225 PolarHBondContact O-N 2.94Å; K222-R225 VanDerWaalsContact O-N 3.08Å; K222-C226 PolarHBondContact O-N 2.8Å; K222-C226 PolarHBondContact O-SG 3.12Å; K222-C226 VanDerWaalsContact O-SG 3.35Å
223Q97.5Very high97Very high110 Ų110103.7 Ų103.751%0.51450%0.495SS..Hα-helixtrans-54.4-53.5175.8179.6-177.9-18.300111.6A219 R225 C226 E227A219-Q223 WeakPolarHBondContact O-CB 3.45Å; A219-Q223 PolarHBondContact O-N 2.98Å; Q223-R225 PolarHBondContact O-N 3.04Å; Q223-C226 CarbonylContact O-C 3.56Å; Q223-C226 WeakPolarHBondContact O-CA 3.19Å; Q223-C226 WeakPolarHBondContact O-CB 3.39Å; Q223-C226 PolarHBondContact O-N 3.06Å; Q223-E227 HydrophobicContact CG-CG 4.43Å; Q223-E227 VanDerWaalsContact CG-OE1 3.29Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.22Å; Q223-E227 PolarHBondContact NE2-OE1 2.92Å; Q223-E227 WeakPolarHBondContact O-CG 3.34Å; Q223-E227 PolarHBondContact O-N 3.08Å
224R97.9Very high97.1Very high155 Ų155104.7 Ų104.759%0.58549%0.494SS*.Hα-helixtrans-60.5-31176.9-78.1178.1-70.7178.7-0.9113.7R220 K222 E227 E228R220-R224 PolarHBondContact O-NE 3.05Å; R220-R224 PolarHBondContact O-NH2 3.12Å; K222-R224 PolarHBondContact O-N 3.1Å; R224-E227 WeakPolarHBondContact CA-OE2 3.29Å; R224-E227 WeakPolarHBondContact CG-OE2 3.34Å; R224-E228 WeakPolarHBondContact O-CB 3.24Å; R224-E228 PolarHBondContact O-N 3Å
225R97.7Very high97.2Very high181 Ų181106.3 Ų106.368%0.68349%0.494SS*.Hα-helixtrans-72-32.5171.8-171.6176.3180-177.50.1112.5K221 K222 Q223 L229K221-R225 PolarHBondContact O-N 3.14Å; K222-R225 CarbonylContact O-C 3.51Å; K222-R225 WeakPolarHBondContact O-CA 3.29Å; K222-R225 WeakPolarHBondContact O-CB 3.36Å; K222-R225 PolarHBondContact O-N 2.94Å; K222-R225 VanDerWaalsContact O-N 3.08Å; Q223-R225 PolarHBondContact O-N 3.04Å; R225-L229 HydrophobicContact CG-CD1 4.19Å; R225-L229 WeakPolarHBondContact O-CB 3.41Å; R225-L229 WeakPolarHBondContact O-CD1 3.31Å; R225-L229 WeakPolarHBondContact O-CG 3.4Å; R225-L229 PolarHBondContact O-N 2.93Å; R225-L229 VanDerWaalsContact O-N 3.08Å
226C95.6Very high97.3Very high71 Ų71103.9 Ų103.948%0.4849%0.486SS..Hα-helixtrans-68.8-45.2171.2-65.40000111.2K222 Q223 E228 L229 E230K222-C226 PolarHBondContact O-N 2.8Å; K222-C226 PolarHBondContact O-SG 3.12Å; K222-C226 VanDerWaalsContact O-SG 3.35Å; Q223-C226 CarbonylContact O-C 3.56Å; Q223-C226 WeakPolarHBondContact O-CA 3.19Å; Q223-C226 WeakPolarHBondContact O-CB 3.39Å; Q223-C226 PolarHBondContact O-N 3.06Å; C226-E228 VanDerWaalsContact C-N 3.34Å; C226-E228 PolarHBondContact O-N 2.87Å; C226-L229 PolarHBondContact O-N 3.23Å; C226-E230 WeakPolarHBondContact O-CB 3.34Å; C226-E230 WeakPolarHBondContact O-CG 3.4Å; C226-E230 PolarHBondContact O-N 3.31Å
227E97.8Very high97.4Very high90 Ų90104.4 Ų104.442%0.42149%0.489SS..Hα-helixtrans-58.4-43.6176.4-68.4162.3172.300111.7Q223 R224 E230 L231Q223-E227 HydrophobicContact CG-CG 4.43Å; Q223-E227 VanDerWaalsContact CG-OE1 3.29Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.22Å; Q223-E227 PolarHBondContact NE2-OE1 2.92Å; Q223-E227 WeakPolarHBondContact O-CG 3.34Å; Q223-E227 PolarHBondContact O-N 3.08Å; R224-E227 WeakPolarHBondContact CA-OE2 3.29Å; R224-E227 WeakPolarHBondContact CG-OE2 3.34Å; E227-E230 PolarHBondContact O-N 2.99Å; E227-L231 PolarHBondContact O-N 2.88Å
228E98Very high97.5Very high99 Ų99105.4 Ų105.446%0.46350%0.497SS..Hα-helixtrans-61.2-48.5172.3179.164.8-142.500112.3R224 C226 E230 L231 Q232R224-E228 WeakPolarHBondContact O-CB 3.24Å; R224-E228 PolarHBondContact O-N 3Å; C226-E228 VanDerWaalsContact C-N 3.34Å; C226-E228 PolarHBondContact O-N 2.87Å; E228-E230 VanDerWaalsContact C-N 3.33Å; E228-E230 PolarHBondContact O-N 3.39Å; E228-L231 PolarHBondContact O-N 3.01Å; E228-Q232 WeakPolarHBondContact O-CG 3.48Å; E228-Q232 PolarHBondContact O-N 2.86Å; E228-Q232 PolarHBondContact OE1-NE2 3.49Å
229L97.8Very high97.5Very high90 Ų90105.6 Ų105.647%0.47150%0.498SS..Hα-helixtrans-67.5-31.8179.2-73169.6000112.8R225 C226 L233R225-L229 HydrophobicContact CG-CD1 4.19Å; R225-L229 WeakPolarHBondContact O-CB 3.41Å; R225-L229 WeakPolarHBondContact O-CD1 3.31Å; R225-L229 WeakPolarHBondContact O-CG 3.4Å; R225-L229 PolarHBondContact O-N 2.93Å; R225-L229 VanDerWaalsContact O-N 3.08Å; C226-L229 PolarHBondContact O-N 3.23Å; L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.47Å; L229-L233 PolarHBondContact O-N 2.83Å
230E97.4Very high97.5Very high92 Ų92107.9 Ų107.943%0.4350%0.503SS..Hα-helixtrans-66.7-39.1171.1-80.2-173.4-146.200112.1C226 E227 E228 L233 R234C226-E230 WeakPolarHBondContact O-CB 3.34Å; C226-E230 WeakPolarHBondContact O-CG 3.4Å; C226-E230 PolarHBondContact O-N 3.31Å; E227-E230 PolarHBondContact O-N 2.99Å; E228-E230 VanDerWaalsContact C-N 3.33Å; E228-E230 PolarHBondContact O-N 3.39Å; E230-L233 PolarHBondContact O-N 3.26Å; E230-R234 WeakPolarHBondContact O-CB 3.34Å; E230-R234 VanDerWaalsContact O-CG 3.29Å; E230-R234 WeakPolarHBondContact O-CG 3.16Å; E230-R234 PolarHBondContact O-N 3.02Å; E230-R234 IonicContact OE2-CZ 3.43Å; E230-R234 IonicContact OE2-NH1 2.73Å; E230-R234 PolarHBondContact OE2-NH1 2.81Å; E230-R234 IonicContact OE2-NH2 3.62Å; E230-R234 PolarHBondContact OE2-NH2 3.23Å
231L97.9Very high97.6Very high104 Ų104104.2 Ų104.255%0.54550%0.502SS..Hα-helixtrans-65.1-45.2175.4-177.762.1000110.9E227 E228 L233 R234 Q235E227-L231 PolarHBondContact O-N 2.88Å; E228-L231 PolarHBondContact O-N 3.01Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 2.89Å; L231-R234 PolarHBondContact O-N 3Å; L231-Q235 PolarHBondContact O-N 2.87Å
232Q97.8Very high97.6Very high93 Ų93105 Ų10544%0.43550%0.501SS..Hα-helixtrans-62-40175.2-67.9175.712.900111.9E228 Q235 A236E228-Q232 WeakPolarHBondContact O-CG 3.48Å; E228-Q232 PolarHBondContact O-N 2.86Å; E228-Q232 PolarHBondContact OE1-NE2 3.49Å; Q232-Q235 PolarHBondContact O-N 3.48Å; Q232-A236 WeakPolarHBondContact O-CB 3.36Å; Q232-A236 PolarHBondContact O-N 3.41Å
233L97.8Very high97.6Very high101 Ų101103.6 Ų103.653%0.52950%0.499SS..Hα-helixtrans-64.2-43.2174179.560.9000112L229 E230 L231 A236 Q237L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.47Å; L229-L233 PolarHBondContact O-N 2.83Å; E230-L233 PolarHBondContact O-N 3.26Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 2.89Å; L233-A236 PolarHBondContact O-N 2.66Å; L233-Q237 HydrophobicContact CD1-CG 4.45Å; L233-Q237 WeakPolarHBondContact O-CB 3.43Å; L233-Q237 VanDerWaalsContact O-CG 3.25Å; L233-Q237 WeakPolarHBondContact O-CG 3.48Å; L233-Q237 PolarHBondContact O-N 3.12Å
234R97.4Very high97.7Very high130 Ų130103.2 Ų103.249%0.49150%0.504SS..Hα-helixtrans-63.5-40175.3-74173.3-176.4114.510.6111.8E230 L231 Q237 N238E230-R234 WeakPolarHBondContact O-CB 3.34Å; E230-R234 VanDerWaalsContact O-CG 3.29Å; E230-R234 WeakPolarHBondContact O-CG 3.16Å; E230-R234 PolarHBondContact O-N 3.02Å; E230-R234 IonicContact OE2-CZ 3.43Å; E230-R234 IonicContact OE2-NH1 2.73Å; E230-R234 PolarHBondContact OE2-NH1 2.81Å; E230-R234 IonicContact OE2-NH2 3.62Å; E230-R234 PolarHBondContact OE2-NH2 3.23Å; L231-R234 PolarHBondContact O-N 3Å; R234-Q237 PolarHBondContact O-N 3.28Å; R234-N238 VanDerWaalsContact O-CG 3.26Å; R234-N238 PolarHBondContact O-N 3.22Å; R234-N238 PolarHBondContact O-ND2 3.19Å
235Q97.9Very high97.7Very high109 Ų109102.6 Ų102.651%0.50951%0.508SS..Hα-helixtrans-62.1-49.8173.5179.9176.2-17.200111.1L231 Q232 Q237 N238 E239L231-Q235 PolarHBondContact O-N 2.87Å; Q232-Q235 PolarHBondContact O-N 3.48Å; Q235-Q237 VanDerWaalsContact C-N 3.27Å; Q235-Q237 PolarHBondContact O-N 2.95Å; Q235-N238 PolarHBondContact O-N 2.81Å; Q235-N238 VanDerWaalsContact O-N 3.12Å; Q235-E239 HydrophobicContact CG-CG 4.43Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.42Å; Q235-E239 PolarHBondContact NE2-OE1 2.83Å; Q235-E239 WeakPolarHBondContact O-CG 3.3Å; Q235-E239 PolarHBondContact O-N 2.84Å
236A97.5Very high97.7Very high38 Ų3897.3 Ų97.331%0.31449%0.49SS..Hα-helixtrans-60.9-34.9177.300000112.5Q232 L233 N240Q232-A236 WeakPolarHBondContact O-CB 3.36Å; Q232-A236 PolarHBondContact O-N 3.41Å; L233-A236 PolarHBondContact O-N 2.66Å; A236-N240 WeakPolarHBondContact O-CB 3.43Å; A236-N240 PolarHBondContact O-N 3.22Å; A236-N240 PolarHBondContact O-ND2 2.92Å
237Q97.6Very high97.7Very high107 Ų10799 Ų9950%0.550%0.495SS..Hα-helixtrans-63.9-45.1173-76.4168.5-14.900111.9L233 R234 Q235 N240 A241L233-Q237 HydrophobicContact CD1-CG 4.45Å; L233-Q237 WeakPolarHBondContact O-CB 3.43Å; L233-Q237 VanDerWaalsContact O-CG 3.25Å; L233-Q237 WeakPolarHBondContact O-CG 3.48Å; L233-Q237 PolarHBondContact O-N 3.12Å; R234-Q237 PolarHBondContact O-N 3.28Å; Q235-Q237 VanDerWaalsContact C-N 3.27Å; Q235-Q237 PolarHBondContact O-N 2.95Å; Q237-N240 PolarHBondContact O-N 2.97Å; Q237-A241 WeakPolarHBondContact O-CB 3.45Å; Q237-A241 PolarHBondContact O-N 3.33Å
238N97.6Very high97.8Very high118 Ų11898.9 Ų98.963%0.63150%0.504SS*.Hα-helixtrans-65.8-40177.2-67.3-19.7000112.4R234 Q235 A241 R242R234-N238 VanDerWaalsContact O-CG 3.26Å; R234-N238 PolarHBondContact O-N 3.22Å; R234-N238 PolarHBondContact O-ND2 3.19Å; Q235-N238 PolarHBondContact O-N 2.81Å; Q235-N238 VanDerWaalsContact O-N 3.12Å; N238-A241 PolarHBondContact O-N 3.21Å; N238-R242 PolarHBondContact O-N 3.39Å
239E98Very high97.8Very high88 Ų88101.2 Ų101.241%0.41151%0.508SS..Hα-helixtrans-66-43176.2-72.8174.8-171.600111.6Q235 R242 L243Q235-E239 HydrophobicContact CG-CG 4.43Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.42Å; Q235-E239 PolarHBondContact NE2-OE1 2.83Å; Q235-E239 WeakPolarHBondContact O-CG 3.3Å; Q235-E239 PolarHBondContact O-N 2.84Å; E239-R242 PolarHBondContact O-N 2.95Å; E239-L243 WeakPolarHBondContact O-CG 3.26Å; E239-L243 PolarHBondContact O-N 2.9Å
240N96.8Very high97.8Very high100 Ų100100.9 Ų100.954%0.53551%0.506SS..Hα-helixtrans-62.1-41.4172.7-81.2-65.9000112A236 Q237 R242 L243 V244A236-N240 WeakPolarHBondContact O-CB 3.43Å; A236-N240 PolarHBondContact O-N 3.22Å; A236-N240 PolarHBondContact O-ND2 2.92Å; Q237-N240 PolarHBondContact O-N 2.97Å; N240-R242 PolarHBondContact O-N 3.5Å; N240-L243 PolarHBondContact O-N 2.96Å; N240-V244 WeakPolarHBondContact O-CG2 3.29Å; N240-V244 PolarHBondContact O-N 2.88Å
241A98.1Very high97.8Very high60 Ų6099.8 Ų99.850%0.49651%0.509SS..Hα-helixtrans-60-45.2176.700000111.9Q237 N238 L243 V244 E245Q237-A241 WeakPolarHBondContact O-CB 3.45Å; Q237-A241 PolarHBondContact O-N 3.33Å; N238-A241 PolarHBondContact O-N 3.21Å; A241-L243 VanDerWaalsContact C-N 3.35Å; A241-L243 PolarHBondContact O-N 2.98Å; A241-V244 PolarHBondContact O-N 3.42Å; A241-E245 PolarHBondContact O-N 3.04Å
242R98.1Very high97.8Very high151 Ų15196.1 Ų96.157%0.5750%0.497SS*.Hα-helixtrans-62.9-39.7175.1-163.8-165.577-154.3-0.5112.3N238 E239 N240 E245 E246N238-R242 PolarHBondContact O-N 3.39Å; E239-R242 PolarHBondContact O-N 2.95Å; N240-R242 PolarHBondContact O-N 3.5Å; R242-E245 PolarHBondContact O-N 3.3Å; R242-E246 WeakPolarHBondContact O-CB 3.4Å; R242-E246 PolarHBondContact O-N 2.95Å
243L97.9Very high97.8Very high88 Ų8899 Ų9946%0.46150%0.504SS..Hα-helixtrans-68.2-33.2177-72.4170.7000112.4E239 N240 A241 N247E239-L243 WeakPolarHBondContact O-CG 3.26Å; E239-L243 PolarHBondContact O-N 2.9Å; N240-L243 PolarHBondContact O-N 2.96Å; A241-L243 VanDerWaalsContact C-N 3.35Å; A241-L243 PolarHBondContact O-N 2.98Å; L243-N247 WeakPolarHBondContact O-CB 3.44Å; L243-N247 PolarHBondContact O-N 3.33Å
244V98.3Very high97.8Very high102 Ų10296.2 Ų96.262%0.61850%0.495SS*.Hα-helixtrans-67.3-43.4173.1168.20000111.2N240 A241 N247 S248N240-V244 WeakPolarHBondContact O-CG2 3.29Å; N240-V244 PolarHBondContact O-N 2.88Å; A241-V244 PolarHBondContact O-N 3.42Å; V244-N247 PolarHBondContact O-N 3.11Å; V244-S248 WeakPolarHBondContact O-CB 3.34Å; V244-S248 PolarHBondContact O-N 2.92Å
245E97.8Very high97.8Very high143 Ų14393.8 Ų93.867%0.66850%0.495SS*.Hα-helixtrans-62.5-45.2174.7-174.9179.1-163.200111.7A241 R242 S248 R249A241-E245 PolarHBondContact O-N 3.04Å; R242-E245 PolarHBondContact O-N 3.3Å; E245-S248 PolarHBondContact O-N 2.86Å; E245-R249 WeakPolarHBondContact O-CB 3.2Å; E245-R249 PolarHBondContact O-N 2.76Å
246E97.9Very high97.8Very high69 Ų6994.3 Ų94.332%0.32250%0.497SS..Hα-helixtrans-64.6-39.8176.2177.2149.7-126.500112.5R242 R249 L250R242-E246 WeakPolarHBondContact O-CB 3.4Å; R242-E246 PolarHBondContact O-N 2.95Å; E246-R249 WeakPolarHBondContact O-CB 3.41Å; E246-R249 PolarHBondContact O-N 3.38Å; E246-R249 IonicContact OE1-CZ 2.77Å; E246-R249 IonicContact OE1-NH2 3.22Å; E246-R249 PolarHBondContact OE1-NH2 3.48Å; E246-L250 HydrophobicContact CG-CD1 4.02Å; E246-L250 HydrophobicContact CG-CG 4.43Å; E246-L250 WeakPolarHBondContact O-CB 3.24Å; E246-L250 VanDerWaalsContact O-CG 3.3Å; E246-L250 WeakPolarHBondContact O-CG 3.18Å; E246-L250 PolarHBondContact O-N 3.16Å
247N97.2Very high97.8Very high108 Ų10898 Ų9858%0.57851%0.506SS*.Hα-helixtrans-65.2-43175.3-167-11.4000111L243 V244 R249 L250 S251L243-N247 WeakPolarHBondContact O-CB 3.44Å; L243-N247 PolarHBondContact O-N 3.33Å; V244-N247 PolarHBondContact O-N 3.11Å; N247-R249 VanDerWaalsContact C-N 3.31Å; N247-R249 PolarHBondContact O-N 3.05Å; N247-L250 PolarHBondContact O-N 2.85Å; N247-L250 VanDerWaalsContact O-N 3.17Å; N247-S251 WeakPolarHBondContact O-CB 3.17Å; N247-S251 PolarHBondContact O-N 3.36Å
248S98Very high97.8Very high86 Ų8698.7 Ų98.760%0.60151%0.51SS*.Hα-helixtrans-57.6-43.4172.7-168.90000112V244 E245 S251 G252V244-S248 WeakPolarHBondContact O-CB 3.34Å; V244-S248 PolarHBondContact O-N 2.92Å; E245-S248 PolarHBondContact O-N 2.86Å; S248-S251 PolarHBondContact O-N 2.79Å; S248-G252 PolarHBondContact O-N 3.23Å
249R98.1Very high97.9Very high148 Ų14898.6 Ų98.656%0.55851%0.505SS*.Hα-helixtrans-64.5-40.4175.7-178.7-177.468.9158.7-1.3112.5E245 E246 N247 R253E245-R249 WeakPolarHBondContact O-CB 3.2Å; E245-R249 PolarHBondContact O-N 2.76Å; E246-R249 WeakPolarHBondContact O-CB 3.41Å; E246-R249 PolarHBondContact O-N 3.38Å; E246-R249 IonicContact OE1-CZ 2.77Å; E246-R249 IonicContact OE1-NH2 3.22Å; E246-R249 PolarHBondContact OE1-NH2 3.48Å; N247-R249 VanDerWaalsContact C-N 3.31Å; N247-R249 PolarHBondContact O-N 3.05Å; R249-R253 WeakPolarHBondContact O-CG 3.37Å; R249-R253 PolarHBondContact O-N 3.11Å
250L97.9Very high97.9Very high83 Ų8398.5 Ų98.544%0.43551%0.511SS..Hα-helixtrans-70.2-36.3177.1-71.5171000111.8E246 N247 R253 A254E246-L250 HydrophobicContact CG-CD1 4.02Å; E246-L250 HydrophobicContact CG-CG 4.43Å; E246-L250 WeakPolarHBondContact O-CB 3.24Å; E246-L250 VanDerWaalsContact O-CG 3.3Å; E246-L250 WeakPolarHBondContact O-CG 3.18Å; E246-L250 PolarHBondContact O-N 3.16Å; N247-L250 PolarHBondContact O-N 2.85Å; N247-L250 VanDerWaalsContact O-N 3.17Å; L250-R253 PolarHBondContact O-N 3.02Å; L250-A254 PolarHBondContact O-N 2.73Å
251S97.5Very high98Very high69 Ų6998.5 Ų98.548%0.48351%0.507SS..Hα-helixtrans-63.9-42.9174.1-168.10000111.8N247 S248 R253 A254 T255N247-S251 WeakPolarHBondContact O-CB 3.17Å; N247-S251 PolarHBondContact O-N 3.36Å; S248-S251 PolarHBondContact O-N 2.79Å; S251-R253 VanDerWaalsContact C-N 3.35Å; S251-R253 PolarHBondContact O-N 2.68Å; S251-A254 WeakPolarHBondContact O-CB 3.37Å; S251-A254 PolarHBondContact O-N 2.74Å; S251-A254 VanDerWaalsContact O-N 3.16Å; S251-T255 PolarHBondContact O-N 3.07Å; S251-T255 PolarHBondContact O-OG1 2.91Å
252G98.1Very high98Very high28 Ų28103.8 Ų103.829%0.28952%0.515SS..Hα-helixtrans-59.4-45.817400000112S248 A254 T255 E256S248-G252 PolarHBondContact O-N 3.23Å; G252-A254 VanDerWaalsContact C-N 3.26Å; G252-A254 PolarHBondContact O-N 2.92Å; G252-T255 PolarHBondContact O-N 3.45Å; G252-T255 PolarHBondContact O-OG1 2.83Å; G252-E256 WeakPolarHBondContact O-CG 3.47Å; G252-E256 PolarHBondContact O-N 3.48Å
253R98Very high98Very high153 Ų153100.3 Ų100.358%0.57751%0.505SS*.Hα-helixtrans-66.1-23.8175.5-69.6-17766.9-138.1-5.8114.3R249 L250 S251 K257R249-R253 WeakPolarHBondContact O-CG 3.37Å; R249-R253 PolarHBondContact O-N 3.11Å; L250-R253 PolarHBondContact O-N 3.02Å; S251-R253 VanDerWaalsContact C-N 3.35Å; S251-R253 PolarHBondContact O-N 2.68Å; R253-K257 WeakPolarHBondContact O-CB 3.4Å; R253-K257 PolarHBondContact O-N 2.95Å
254A97.4Very high98Very high42 Ų4299.6 Ų99.635%0.34750%0.501SS..Hα-helixtrans-71.9-47.6171.100000110.5L250 S251 G252 E256 K257 E258L250-A254 PolarHBondContact O-N 2.73Å; S251-A254 WeakPolarHBondContact O-CB 3.37Å; S251-A254 PolarHBondContact O-N 2.74Å; S251-A254 VanDerWaalsContact O-N 3.16Å; G252-A254 VanDerWaalsContact C-N 3.26Å; G252-A254 PolarHBondContact O-N 2.92Å; A254-E256 PolarHBondContact O-N 3.02Å; A254-K257 WeakPolarHBondContact O-CB 3.31Å; A254-K257 PolarHBondContact O-N 3.44Å; A254-K257 VanDerWaalsContact O-N 3.11Å; A254-E258 WeakPolarHBondContact O-CG 3.31Å; A254-E258 PolarHBondContact O-N 2.97Å
255T97.6Very high98Very high79 Ų7997.6 Ų97.649%0.48550%0.495SS..Hα-helixtrans-64.6-36176.347.80000113.2S251 G252 K257 E258 Q259S251-T255 PolarHBondContact O-N 3.07Å; S251-T255 PolarHBondContact O-OG1 2.91Å; G252-T255 PolarHBondContact O-N 3.45Å; G252-T255 PolarHBondContact O-OG1 2.83Å; T255-K257 VanDerWaalsContact C-N 3.33Å; T255-K257 PolarHBondContact O-N 2.8Å; T255-E258 PolarHBondContact O-N 3.34Å; T255-Q259 PolarHBondContact O-N 3.11Å
256E98Very high98Very high120 Ų12094.8 Ų94.856%0.56148%0.482SS*.Hα-helixtrans-59.5-42.3170.8-72.8166.6-176.700111.6G252 A254 V260G252-E256 WeakPolarHBondContact O-CG 3.47Å; G252-E256 PolarHBondContact O-N 3.48Å; A254-E256 PolarHBondContact O-N 3.02Å; E256-V260 WeakPolarHBondContact O-CG2 3.48Å; E256-V260 PolarHBondContact O-N 3.42Å; E256-V260 VanDerWaalsContact O-N 3.13Å
257K98Very high98.1Very high116 Ų11696.6 Ų96.650%0.50449%0.493SS..Hα-helixtrans-67.3-44.8177.7176.7-177171.4-71.20111.6R253 A254 T255 Q259 V260 E261R253-K257 WeakPolarHBondContact O-CB 3.4Å; R253-K257 PolarHBondContact O-N 2.95Å; A254-K257 WeakPolarHBondContact O-CB 3.31Å; A254-K257 PolarHBondContact O-N 3.44Å; A254-K257 VanDerWaalsContact O-N 3.11Å; T255-K257 VanDerWaalsContact C-N 3.33Å; T255-K257 PolarHBondContact O-N 2.8Å; K257-Q259 VanDerWaalsContact C-N 3.33Å; K257-Q259 PolarHBondContact O-N 3.42Å; K257-V260 PolarHBondContact O-N 2.89Å; K257-E261 VanDerWaalsContact CE-OE1 3.25Å; K257-E261 WeakPolarHBondContact CE-OE1 3.36Å; K257-E261 HydrophobicContact CG-CG 4.49Å; K257-E261 IonicContact NZ-OE1 3.48Å; K257-E261 PolarHBondContact NZ-OE1 3.24Å; K257-E261 IonicContact NZ-OE2 2.62Å; K257-E261 PolarHBondContact NZ-OE2 3.47Å; K257-E261 WeakPolarHBondContact O-CB 3.08Å; K257-E261 WeakPolarHBondContact O-CG 3.18Å; K257-E261 PolarHBondContact O-N 3.18Å
258E98Very high98.1Very high122 Ų12299.5 Ų99.557%0.5750%0.496SS*.Hα-helixtrans-61.7-40.4178.3-72.4168-177.900111.6A254 T255 E261 W262A254-E258 WeakPolarHBondContact O-CG 3.31Å; A254-E258 PolarHBondContact O-N 2.97Å; T255-E258 PolarHBondContact O-N 3.34Å; E258-E261 PolarHBondContact O-N 2.91Å; E258-W262 PolarHBondContact O-N 3.28Å
259Q98.4Very high98.1Very high115 Ų11597.4 Ų97.454%0.53749%0.488SS..Hα-helixtrans-60.3-51.2172.5178.7-179.8-18.200111.5T255 K257 E261 W262 E263T255-Q259 PolarHBondContact O-N 3.11Å; K257-Q259 VanDerWaalsContact C-N 3.33Å; K257-Q259 PolarHBondContact O-N 3.42Å; Q259-E261 VanDerWaalsContact C-N 3.27Å; Q259-E261 PolarHBondContact O-N 2.93Å; Q259-W262 PolarHBondContact O-N 3Å; Q259-W262 VanDerWaalsContact O-N 3.14Å; Q259-E263 HydrophobicContact CG-CG 4.46Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.47Å; Q259-E263 PolarHBondContact NE2-OE1 2.75Å; Q259-E263 WeakPolarHBondContact O-CG 3.48Å; Q259-E263 PolarHBondContact O-N 3.13Å
260V98.5Very high98.2Very high87 Ų8795.3 Ų95.353%0.52749%0.485SS..Hα-helixtrans-64.6-31.6-179.6171.80000112E256 K257 N264E256-V260 WeakPolarHBondContact O-CG2 3.48Å; E256-V260 PolarHBondContact O-N 3.42Å; E256-V260 VanDerWaalsContact O-N 3.13Å; K257-V260 PolarHBondContact O-N 2.89Å; V260-N264 VanDerWaalsContact O-CB 3.26Å; V260-N264 WeakPolarHBondContact O-CB 3.37Å; V260-N264 PolarHBondContact O-N 2.9Å
261E98.1Very high98.2Very high99 Ų9996.9 Ų96.946%0.46349%0.493SS..Hα-helixtrans-70.3-36.3173.7-76.7174.5150.200112.5K257 E258 Q259 N264 A265K257-E261 VanDerWaalsContact CE-OE1 3.25Å; K257-E261 WeakPolarHBondContact CE-OE1 3.36Å; K257-E261 HydrophobicContact CG-CG 4.49Å; K257-E261 IonicContact NZ-OE1 3.48Å; K257-E261 PolarHBondContact NZ-OE1 3.24Å; K257-E261 IonicContact NZ-OE2 2.62Å; K257-E261 PolarHBondContact NZ-OE2 3.47Å; K257-E261 WeakPolarHBondContact O-CB 3.08Å; K257-E261 WeakPolarHBondContact O-CG 3.18Å; K257-E261 PolarHBondContact O-N 3.18Å; E258-E261 PolarHBondContact O-N 2.91Å; Q259-E261 VanDerWaalsContact C-N 3.27Å; Q259-E261 PolarHBondContact O-N 2.93Å; E261-N264 PolarHBondContact O-N 3.29Å; E261-A265 WeakPolarHBondContact O-CB 3.43Å; E261-A265 PolarHBondContact O-N 3.09Å
262W98.1Very high98.2Very high172 Ų17299.3 Ų99.365%0.65250%0.5SS*.Hα-helixtrans-66.4-47.3170.9-17982.4000111.9E258 Q259 N264 A265 E266E258-W262 PolarHBondContact O-N 3.28Å; Q259-W262 PolarHBondContact O-N 3Å; Q259-W262 VanDerWaalsContact O-N 3.14Å; W262-N264 VanDerWaalsContact C-N 3.26Å; W262-N264 PolarHBondContact O-N 2.96Å; W262-A265 WeakPolarHBondContact O-CB 3.5Å; W262-A265 PolarHBondContact O-N 3.1Å; W262-A265 VanDerWaalsContact O-N 3.08Å; W262-E266 PolarHBondContact O-N 3.03Å
263E98.3Very high98.3Very high78 Ų7899.2 Ų99.236%0.36450%0.499SS..Hα-helixtrans-58.8-38.2175-70.2172.7-172.700111.6Q259 L267Q259-E263 HydrophobicContact CG-CG 4.46Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.47Å; Q259-E263 PolarHBondContact NE2-OE1 2.75Å; Q259-E263 WeakPolarHBondContact O-CG 3.48Å; Q259-E263 PolarHBondContact O-N 3.13Å; E263-L267 WeakPolarHBondContact O-CB 3.47Å; E263-L267 VanDerWaalsContact O-CG 3.29Å; E263-L267 WeakPolarHBondContact O-CG 3.4Å; E263-L267 PolarHBondContact O-N 3.35Å
264N98.4Very high98.3Very high73 Ų7396.1 Ų96.139%0.3950%0.497SS..Hα-helixtrans-70.8-31.7176.2-156.8-101.9000112.9V260 E261 W262 R268V260-N264 VanDerWaalsContact O-CB 3.26Å; V260-N264 WeakPolarHBondContact O-CB 3.37Å; V260-N264 PolarHBondContact O-N 2.9Å; E261-N264 PolarHBondContact O-N 3.29Å; W262-N264 VanDerWaalsContact C-N 3.26Å; W262-N264 PolarHBondContact O-N 2.96Å; N264-R268 WeakPolarHBondContact O-CD 3.27Å; N264-R268 WeakPolarHBondContact O-CG 3.46Å; N264-R268 PolarHBondContact O-N 3.18Å; N264-R268 VanDerWaalsContact OD1-CZ 3.28Å; N264-R268 PolarHBondContact OD1-NE 3.43Å; N264-R268 PolarHBondContact OD1-NH2 3.28Å
265A98.3Very high98.3Very high59 Ų5996 Ų9649%0.48849%0.492SS..Hα-helixtrans-70.5-43.7173.900000111.6E261 W262 R268 G269E261-A265 WeakPolarHBondContact O-CB 3.43Å; E261-A265 PolarHBondContact O-N 3.09Å; W262-A265 WeakPolarHBondContact O-CB 3.5Å; W262-A265 PolarHBondContact O-N 3.1Å; W262-A265 VanDerWaalsContact O-N 3.08Å; A265-R268 WeakPolarHBondContact O-CB 3.3Å; A265-R268 PolarHBondContact O-N 3.11Å; A265-G269 PolarHBondContact O-N 2.81Å
266E98.5Very high98.4Very high84 Ų8498.6 Ų98.639%0.39350%0.499SS..Hα-helixtrans-61-49.5176.2178.953.9-146.700111.4W262 R268 G269 Q270W262-E266 PolarHBondContact O-N 3.03Å; E266-R268 VanDerWaalsContact C-N 3.25Å; E266-R268 PolarHBondContact O-N 2.91Å; E266-G269 WeakPolarHBondContact O-CA 3.25Å; E266-G269 PolarHBondContact O-N 3.05Å; E266-Q270 PolarHBondContact O-N 3.36Å; E266-Q270 PolarHBondContact OE1-NE2 3.26Å
267L98.6Very high98.4Very high107 Ų10799.2 Ų99.256%0.5650%0.502SS*.Hα-helixtrans-61-30.9176.3-72.4170.5000113.2E263 L271E263-L267 WeakPolarHBondContact O-CB 3.47Å; E263-L267 VanDerWaalsContact O-CG 3.29Å; E263-L267 WeakPolarHBondContact O-CG 3.4Å; E263-L267 PolarHBondContact O-N 3.35Å; L267-L271 VanDerWaalsContact O-CB 3.29Å; L267-L271 WeakPolarHBondContact O-CB 3.49Å; L267-L271 PolarHBondContact O-N 3.03Å
268R98.6Very high98.4Very high170 Ų170100.1 Ų100.164%0.64250%0.502SS*.Hα-helixtrans-70.4-38171.8-73.6167-166-124.55.5112.1N264 A265 E266 L271 L272N264-R268 WeakPolarHBondContact O-CD 3.27Å; N264-R268 WeakPolarHBondContact O-CG 3.46Å; N264-R268 PolarHBondContact O-N 3.18Å; N264-R268 VanDerWaalsContact OD1-CZ 3.28Å; N264-R268 PolarHBondContact OD1-NE 3.43Å; N264-R268 PolarHBondContact OD1-NH2 3.28Å; A265-R268 WeakPolarHBondContact O-CB 3.3Å; A265-R268 PolarHBondContact O-N 3.11Å; E266-R268 VanDerWaalsContact C-N 3.25Å; E266-R268 PolarHBondContact O-N 2.91Å; R268-L271 PolarHBondContact O-N 3.44Å; R268-L272 WeakPolarHBondContact O-CB 3.36Å; R268-L272 PolarHBondContact O-N 3Å
269G98.5Very high98.4Very high42 Ų4297.2 Ų97.243%0.43349%0.49SS..Hα-helixtrans-61-48.9173.900000111.7A265 E266 L271 L272 G273A265-G269 PolarHBondContact O-N 2.81Å; E266-G269 WeakPolarHBondContact O-CA 3.25Å; E266-G269 PolarHBondContact O-N 3.05Å; G269-L271 PolarHBondContact O-N 3.36Å; G269-L272 WeakPolarHBondContact O-CB 3.23Å; G269-L272 PolarHBondContact O-N 2.93Å; G269-G273 PolarHBondContact O-N 2.99Å
270Q98.5Very high98.4Very high103 Ų10393.2 Ų93.248%0.48148%0.475SS..Hα-helixtrans-61.4-45176.4-6517714.200112E266 L272 G273 V274E266-Q270 PolarHBondContact O-N 3.36Å; E266-Q270 PolarHBondContact OE1-NE2 3.26Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 3.47Å; Q270-G273 PolarHBondContact O-N 2.9Å; Q270-V274 WeakPolarHBondContact O-CG2 3.28Å; Q270-V274 PolarHBondContact O-N 2.91Å
271L98.6Very high98.4Very high116 Ų11691.9 Ų91.961%0.60747%0.473SS*.Hα-helixtrans-61.3-37.5175.617961.3000112.5L267 R268 G269 T275L267-L271 VanDerWaalsContact O-CB 3.29Å; L267-L271 WeakPolarHBondContact O-CB 3.49Å; L267-L271 PolarHBondContact O-N 3.03Å; R268-L271 PolarHBondContact O-N 3.44Å; G269-L271 PolarHBondContact O-N 3.36Å; L271-T275 VanDerWaalsContact O-CB 3.28Å; L271-T275 WeakPolarHBondContact O-CB 3.5Å; L271-T275 PolarHBondContact O-N 3.3Å; L271-T275 PolarHBondContact O-OG1 3.4Å
272L98.7Very high98.4Very high120 Ų12091.4 Ų91.463%0.62847%0.473SS*.Hα-helixtrans-66.3-43.5175.7-176.864.3000111.4R268 G269 Q270 T275 Q276R268-L272 WeakPolarHBondContact O-CB 3.36Å; R268-L272 PolarHBondContact O-N 3Å; G269-L272 WeakPolarHBondContact O-CB 3.23Å; G269-L272 PolarHBondContact O-N 2.93Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 3.47Å; L272-T275 WeakPolarHBondContact O-CB 3.33Å; L272-T275 PolarHBondContact O-N 3.49Å; L272-Q276 PolarHBondContact O-N 2.96Å
273G98.4Very high98.5Very high26 Ų2690.8 Ų90.827%0.26847%0.47SS..Hα-helixtrans-58.3-54.117500000112.4G269 Q270 T275 Q276 E277G269-G273 PolarHBondContact O-N 2.99Å; Q270-G273 PolarHBondContact O-N 2.9Å; G273-T275 PolarHBondContact O-N 3.4Å; G273-Q276 WeakPolarHBondContact O-CB 3.46Å; G273-Q276 PolarHBondContact O-N 3.5Å; G273-E277 WeakPolarHBondContact O-CG 3.42Å; G273-E277 PolarHBondContact O-N 2.72Å
274V98.6Very high98.5Very high88 Ų8894.6 Ų94.653%0.53349%0.486SS..Hα-helixtrans-60.2-33177.11750000111.9Q270 R278Q270-V274 WeakPolarHBondContact O-CG2 3.28Å; Q270-V274 PolarHBondContact O-N 2.91Å; V274-R278 WeakPolarHBondContact O-CB 3.34Å; V274-R278 PolarHBondContact O-N 2.73Å
275T98Very high98.5Very high40 Ų4093.9 Ų93.925%0.24549%0.486CS..Hα-helixtrans-67.2-43.8173.5-60.70000111.6L271 L272 G273 R278 D279L271-T275 VanDerWaalsContact O-CB 3.28Å; L271-T275 WeakPolarHBondContact O-CB 3.5Å; L271-T275 PolarHBondContact O-N 3.3Å; L271-T275 PolarHBondContact O-OG1 3.4Å; L272-T275 WeakPolarHBondContact O-CB 3.33Å; L272-T275 PolarHBondContact O-N 3.49Å; G273-T275 PolarHBondContact O-N 3.4Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.41Å; T275-D279 WeakPolarHBondContact O-CB 3.48Å; T275-D279 VanDerWaalsContact O-CG 3.31Å; T275-D279 PolarHBondContact O-N 2.85Å
276Q98.7Very high98.5Very high133 Ų13396.4 Ų96.462%0.62149%0.488SS*.Hα-helixtrans-66.1-37.7176.8-175.81780.200112.2L272 G273 S280L272-Q276 PolarHBondContact O-N 2.96Å; G273-Q276 WeakPolarHBondContact O-CB 3.46Å; G273-Q276 PolarHBondContact O-N 3.5Å; Q276-S280 VanDerWaalsContact O-CB 3.28Å; Q276-S280 WeakPolarHBondContact O-CB 3.35Å; Q276-S280 PolarHBondContact O-N 3.44Å; Q276-S280 PolarHBondContact O-OG 3.18Å
277E98Very high98.5Very high134 Ų13494.1 Ų94.163%0.62649%0.487SS*.Hα-helixtrans-63.1-50.2172.6-73.3176-172.800111.3G273 D279 S280 A281G273-E277 WeakPolarHBondContact O-CG 3.42Å; G273-E277 PolarHBondContact O-N 2.72Å; E277-D279 VanDerWaalsContact C-N 3.33Å; E277-D279 PolarHBondContact O-N 3.21Å; E277-S280 CarbonylContact O-C 3.58Å; E277-S280 WeakPolarHBondContact O-CB 3.36Å; E277-S280 PolarHBondContact O-N 2.85Å; E277-S280 VanDerWaalsContact O-N 3.12Å; E277-A281 WeakPolarHBondContact O-CB 3.41Å; E277-A281 PolarHBondContact O-N 2.71Å
278R98.5Very high98.5Very high135 Ų13594.4 Ų94.451%0.50949%0.488SS..Hα-helixtrans-52.5-49.8173.9-178.4-158.472.5-157.6-1.1111.3V274 T275 S280 A281 L282V274-R278 WeakPolarHBondContact O-CB 3.34Å; V274-R278 PolarHBondContact O-N 2.73Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.41Å; R278-S280 VanDerWaalsContact C-N 3.26Å; R278-S280 PolarHBondContact O-N 2.8Å; R278-A281 PolarHBondContact O-N 3.08Å; R278-L282 HydrophobicContact CG-CD1 4.14Å; R278-L282 WeakPolarHBondContact O-CG 3.44Å; R278-L282 PolarHBondContact O-N 3.39Å
279D98.5Very high98.5Very high60 Ų6091.5 Ų91.532%0.32148%0.482SS..Hα-helixtrans-73.3-21.3-176.7-66.5-15.4000112.5T275 E277 R283T275-D279 WeakPolarHBondContact O-CB 3.48Å; T275-D279 VanDerWaalsContact O-CG 3.31Å; T275-D279 PolarHBondContact O-N 2.85Å; E277-D279 VanDerWaalsContact C-N 3.33Å; E277-D279 PolarHBondContact O-N 3.21Å; D279-R283 VanDerWaalsContact O-CG 3.27Å; D279-R283 WeakPolarHBondContact O-CG 3.45Å; D279-R283 PolarHBondContact O-N 2.86Å; D279-R283 PolarHBondContact O-NE 2.87Å; D279-R283 VanDerWaalsContact O-NE 3.13Å
280S98.5Very high98.5Very high32 Ų3292.9 Ų92.922%0.22449%0.485CS..Hα-helixtrans-77.8-37.9169.4-57.30000112.2Q276 E277 R278 R283 K284Q276-S280 VanDerWaalsContact O-CB 3.28Å; Q276-S280 WeakPolarHBondContact O-CB 3.35Å; Q276-S280 PolarHBondContact O-N 3.44Å; Q276-S280 PolarHBondContact O-OG 3.18Å; E277-S280 CarbonylContact O-C 3.58Å; E277-S280 WeakPolarHBondContact O-CB 3.36Å; E277-S280 PolarHBondContact O-N 2.85Å; E277-S280 VanDerWaalsContact O-N 3.12Å; R278-S280 VanDerWaalsContact C-N 3.26Å; R278-S280 PolarHBondContact O-N 2.8Å; S280-R283 PolarHBondContact OG-NH2 2.94Å; S280-K284 WeakPolarHBondContact O-CB 3.05Å; S280-K284 WeakPolarHBondContact O-CG 3.14Å; S280-K284 PolarHBondContact O-N 3.02Å
281A98.3Very high98.5Very high58 Ų5894.5 Ų94.548%0.47949%0.491SS..Hα-helixtrans-66.7-39.8172.300000111.9E277 R278 K284 S285E277-A281 WeakPolarHBondContact O-CB 3.41Å; E277-A281 PolarHBondContact O-N 2.71Å; R278-A281 PolarHBondContact O-N 3.08Å; A281-K284 PolarHBondContact O-N 2.93Å; A281-S285 WeakPolarHBondContact O-CB 3.34Å; A281-S285 PolarHBondContact O-N 3.45Å
282L98.7Very high98.5Very high89 Ų8994.2 Ų94.247%0.46649%0.489SS..Hα-helixtrans-61.8-46.5174.3-74.1170.6000111.7R278 K284 S285 Q286R278-L282 HydrophobicContact CG-CD1 4.14Å; R278-L282 WeakPolarHBondContact O-CG 3.44Å; R278-L282 PolarHBondContact O-N 3.39Å; L282-K284 PolarHBondContact O-N 3.44Å; L282-S285 WeakPolarHBondContact O-CB 3.25Å; L282-S285 PolarHBondContact O-N 2.73Å; L282-Q286 WeakPolarHBondContact O-CG 3.2Å; L282-Q286 PolarHBondContact O-N 2.88Å
283R98.5Very high98.5Very high159 Ų15993.5 Ų93.560%0.648%0.483SS*.Hα-helixtrans-61.5-41.7174.2-72.6178.8-62.1143.6-0.6112.5D279 S280 S285 G287D279-R283 VanDerWaalsContact O-CG 3.27Å; D279-R283 WeakPolarHBondContact O-CG 3.45Å; D279-R283 PolarHBondContact O-N 2.86Å; D279-R283 PolarHBondContact O-NE 2.87Å; D279-R283 VanDerWaalsContact O-NE 3.13Å; S280-R283 PolarHBondContact OG-NH2 2.94Å; R283-S285 VanDerWaalsContact C-N 3.35Å; R283-G287 PolarHBondContact O-N 2.91Å
284K98.4Very high98.5Very high159 Ų15995.3 Ų95.369%0.69149%0.491SS*.Hα-helixtrans-61.6-41.9173.5-74.9174.7178.9-178.80111.4S280 A281 L282 G287 L288S280-K284 WeakPolarHBondContact O-CB 3.05Å; S280-K284 WeakPolarHBondContact O-CG 3.14Å; S280-K284 PolarHBondContact O-N 3.02Å; A281-K284 PolarHBondContact O-N 2.93Å; L282-K284 PolarHBondContact O-N 3.44Å; K284-G287 PolarHBondContact O-N 2.87Å; K284-L288 WeakPolarHBondContact O-CG 3.3Å; K284-L288 PolarHBondContact O-N 3.14Å
285S98.4Very high98.5Very high57 Ų5796.4 Ų96.440%0.39949%0.494SS..Hα-helixtrans-63.8-47.2177.4-170.60000112.4A281 L282 R283 G287 L288 Q289A281-S285 WeakPolarHBondContact O-CB 3.34Å; A281-S285 PolarHBondContact O-N 3.45Å; L282-S285 WeakPolarHBondContact O-CB 3.25Å; L282-S285 PolarHBondContact O-N 2.73Å; R283-S285 VanDerWaalsContact C-N 3.35Å; S285-G287 VanDerWaalsContact C-N 3.34Å; S285-G287 PolarHBondContact O-N 3.03Å; S285-L288 CarbonylContact O-C 3.57Å; S285-L288 WeakPolarHBondContact O-CA 3.3Å; S285-L288 WeakPolarHBondContact O-CB 3.49Å; S285-L288 PolarHBondContact O-N 2.89Å; S285-Q289 WeakPolarHBondContact O-CG 3.43Å; S285-Q289 PolarHBondContact O-N 2.97Å
286Q98.6Very high98.5Very high113 Ų113100.1 Ų100.153%0.52851%0.508SS..Hα-helixtrans-58.3-44.8174-71.5168.3-21.700111.6L282 L288 Q289 S290L282-Q286 WeakPolarHBondContact O-CG 3.2Å; L282-Q286 PolarHBondContact O-N 2.88Å; Q286-L288 PolarHBondContact O-N 3.32Å; Q286-Q289 WeakPolarHBondContact O-CB 3.2Å; Q286-Q289 PolarHBondContact O-N 3.03Å; Q286-Q289 VanDerWaalsContact O-N 3.13Å; Q286-S290 PolarHBondContact O-N 3.32Å; Q286-S290 VanDerWaalsContact O-N 3.09Å
287G98.3Very high98.5Very high35 Ų35100.2 Ų100.236%0.36151%0.508SS..Hα-helixtrans-65-20.8175.100000114.6R283 K284 S285 K291R283-G287 PolarHBondContact O-N 2.91Å; K284-G287 PolarHBondContact O-N 2.87Å; S285-G287 VanDerWaalsContact C-N 3.34Å; S285-G287 PolarHBondContact O-N 3.03Å; G287-K291 WeakPolarHBondContact O-CD 3.42Å; G287-K291 VanDerWaalsContact O-CG 3.26Å; G287-K291 WeakPolarHBondContact O-CG 3.32Å
288L98.5Very high98.5Very high113 Ų11397.4 Ų97.459%0.59250%0.5SS*.Hα-helixtrans-84.5-35.4170.2-72.5174.2000112.2K284 S285 Q286 K291 L292K284-L288 WeakPolarHBondContact O-CG 3.3Å; K284-L288 PolarHBondContact O-N 3.14Å; S285-L288 CarbonylContact O-C 3.57Å; S285-L288 WeakPolarHBondContact O-CA 3.3Å; S285-L288 WeakPolarHBondContact O-CB 3.49Å; S285-L288 PolarHBondContact O-N 2.89Å; Q286-L288 PolarHBondContact O-N 3.32Å; L288-K291 PolarHBondContact O-N 3.03Å; L288-L292 PolarHBondContact O-N 3.4Å
289Q98.5Very high98.5Very high109 Ų10995.2 Ų95.251%0.50950%0.498SS..Hα-helixtrans-60.4-51.2174.9-73.1171.9-30.400111.2S285 Q286 K291 L292 E293S285-Q289 WeakPolarHBondContact O-CG 3.43Å; S285-Q289 PolarHBondContact O-N 2.97Å; Q286-Q289 WeakPolarHBondContact O-CB 3.2Å; Q286-Q289 PolarHBondContact O-N 3.03Å; Q286-Q289 VanDerWaalsContact O-N 3.13Å; Q289-K291 VanDerWaalsContact C-N 3.25Å; Q289-K291 PolarHBondContact O-N 2.88Å; Q289-L292 WeakPolarHBondContact O-CA 3.41Å; Q289-L292 WeakPolarHBondContact O-CB 3.33Å; Q289-L292 PolarHBondContact O-N 3.17Å; Q289-E293 WeakPolarHBondContact O-CG 3.46Å; Q289-E293 PolarHBondContact O-N 3.45Å
290S98.4Very high98.5Very high72 Ų7298.1 Ų98.150%0.50351%0.508SS..Hα-helixtrans-65.1-26.9177.8-550000113.8Q286 E293 S294Q286-S290 PolarHBondContact O-N 3.32Å; Q286-S290 VanDerWaalsContact O-N 3.09Å; S290-E293 WeakPolarHBondContact CA-OE2 3.25Å; S290-S294 WeakPolarHBondContact O-CB 3.39Å; S290-S294 PolarHBondContact O-N 3.41Å; S290-S294 VanDerWaalsContact O-N 3.09Å
291K98.6Very high98.5Very high136 Ų136102 Ų10259%0.59152%0.522SS*.Hα-helixtrans-70.4-38.6170.1-75.1173.8-176.5179.80111.8G287 L288 Q289 S294 L295G287-K291 WeakPolarHBondContact O-CD 3.42Å; G287-K291 VanDerWaalsContact O-CG 3.26Å; G287-K291 WeakPolarHBondContact O-CG 3.32Å; L288-K291 PolarHBondContact O-N 3.03Å; Q289-K291 VanDerWaalsContact C-N 3.25Å; Q289-K291 PolarHBondContact O-N 2.88Å; K291-S294 PolarHBondContact O-N 3.29Å; K291-L295 WeakPolarHBondContact O-CB 3.47Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.45Å; K291-L295 PolarHBondContact O-N 3.35Å
292L98.7Very high98.5Very high111 Ų111105 Ų10558%0.58153%0.528SS*.Hα-helixtrans-67.1-43.6176-173.6151.4000111.2L288 Q289 S294 L295 E296L288-L292 PolarHBondContact O-N 3.4Å; Q289-L292 WeakPolarHBondContact O-CA 3.41Å; Q289-L292 WeakPolarHBondContact O-CB 3.33Å; Q289-L292 PolarHBondContact O-N 3.17Å; L292-S294 PolarHBondContact O-N 2.97Å; L292-L295 PolarHBondContact O-N 3.48Å; L292-E296 PolarHBondContact O-N 3.1Å
293E98.5Very high98.5Very high105 Ų105108 Ų10849%0.49153%0.533SS..Hα-helixtrans-58-45.5173.4-69.1165.6173.900111.5Q289 S290 E296 Q297Q289-E293 WeakPolarHBondContact O-CG 3.46Å; Q289-E293 PolarHBondContact O-N 3.45Å; S290-E293 WeakPolarHBondContact CA-OE2 3.25Å; E293-E296 PolarHBondContact O-N 3.34Å; E293-Q297 WeakPolarHBondContact O-CG 3.26Å; E293-Q297 PolarHBondContact O-N 2.96Å
294S98.6Very high98.5Very high63 Ų63104.1 Ų104.144%0.44152%0.522SS..Hα-helixtrans-62.9-41.9175.6-177.50000112.5S290 K291 L292 Q297 V298S290-S294 WeakPolarHBondContact O-CB 3.39Å; S290-S294 PolarHBondContact O-N 3.41Å; S290-S294 VanDerWaalsContact O-N 3.09Å; K291-S294 PolarHBondContact O-N 3.29Å; L292-S294 PolarHBondContact O-N 2.97Å; S294-Q297 PolarHBondContact O-N 3.23Å; S294-V298 WeakPolarHBondContact O-CG2 3.36Å; S294-V298 PolarHBondContact O-N 3.02Å
295L98.6Very high98.6Very high112 Ų112100.2 Ų100.259%0.58651%0.511SS*.Hα-helixtrans-66.5-35174.8-72.8170.2000112.4K291 L292 V298 L299K291-L295 WeakPolarHBondContact O-CB 3.47Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.45Å; K291-L295 PolarHBondContact O-N 3.35Å; L292-L295 PolarHBondContact O-N 3.48Å; L295-V298 PolarHBondContact O-N 3.27Å; L295-L299 WeakPolarHBondContact O-CB 3.43Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.27Å; L295-L299 PolarHBondContact O-N 2.68Å
296E98.5Very high98.5Very high118 Ų118100.2 Ų100.255%0.55152%0.515SS*.Hα-helixtrans-66.8-40.2174.2-177.9162.8-152.200111.8L292 E293 L299 K300L292-E296 PolarHBondContact O-N 3.1Å; E293-E296 PolarHBondContact O-N 3.34Å; E296-L299 PolarHBondContact O-N 3.44Å; E296-K300 WeakPolarHBondContact O-CB 3.44Å; E296-K300 PolarHBondContact O-N 3.44Å
297Q98.7Very high98.5Very high134 Ų134101 Ų10163%0.62652%0.519SS*.Hα-helixtrans-60.5-44.8172.2-69.3169.614.800111.7E293 S294 K300 H301E293-Q297 WeakPolarHBondContact O-CG 3.26Å; E293-Q297 PolarHBondContact O-N 2.96Å; S294-Q297 PolarHBondContact O-N 3.23Å; Q297-K300 WeakPolarHBondContact O-CB 3.41Å; Q297-K300 PolarHBondContact O-N 3.3Å; Q297-H301 PolarHBondContact O-N 2.97Å
298V98.6Very high98.6Very high75 Ų75105.7 Ų105.746%0.45553%0.525SS..Hα-helixtrans-61.9-44.7174.8171.60000111.1S294 L295 K300 H301 M302S294-V298 WeakPolarHBondContact O-CG2 3.36Å; S294-V298 PolarHBondContact O-N 3.02Å; L295-V298 PolarHBondContact O-N 3.27Å; V298-K300 VanDerWaalsContact C-N 3.34Å; V298-K300 PolarHBondContact O-N 2.83Å; V298-H301 PolarHBondContact O-N 3.04Å; V298-M302 HydrophobicContact CG1-CG 4.37Å; V298-M302 HydrophobicContact CG1-SD 4.17Å; V298-M302 WeakPolarHBondContact O-CB 3.31Å; V298-M302 WeakPolarHBondContact O-CG 3.46Å; V298-M302 PolarHBondContact O-N 3.47Å
299L98.6Very high98.6Very high89 Ų89107.8 Ų107.847%0.46653%0.525SS..Hα-helixtrans-64.3-35.4176.9-75.7172.8000112.7L295 E296 R303L295-L299 WeakPolarHBondContact O-CB 3.43Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.27Å; L295-L299 PolarHBondContact O-N 2.68Å; E296-L299 PolarHBondContact O-N 3.44Å; L299-R303 WeakPolarHBondContact O-CD 3.41Å; L299-R303 VanDerWaalsContact O-CG 3.25Å; L299-R303 WeakPolarHBondContact O-CG 3.43Å; L299-R303 PolarHBondContact O-N 3.01Å
300K98.6Very high98.6Very high122 Ų122108.8 Ų108.853%0.5353%0.53SS..Hα-helixtrans-62.2-51.3171.8-172.7-174.7-177.9-93.90110.3E296 Q297 V298 M302 R303 E304E296-K300 WeakPolarHBondContact O-CB 3.44Å; E296-K300 PolarHBondContact O-N 3.44Å; Q297-K300 WeakPolarHBondContact O-CB 3.41Å; Q297-K300 PolarHBondContact O-N 3.3Å; V298-K300 VanDerWaalsContact C-N 3.34Å; V298-K300 PolarHBondContact O-N 2.83Å; K300-M302 PolarHBondContact O-N 2.93Å; K300-R303 WeakPolarHBondContact O-CB 3.27Å; K300-R303 PolarHBondContact O-N 2.82Å; K300-R303 VanDerWaalsContact O-N 3.1Å; K300-E304 WeakPolarHBondContact CE-OE1 3.48Å; K300-E304 IonicContact NZ-OE1 3.93Å; K300-E304 PolarHBondContact NZ-OE1 3.07Å; K300-E304 WeakPolarHBondContact O-CG 3.32Å; K300-E304 PolarHBondContact O-N 3.24Å
301H98.6Very high98.6Very high112 Ų112109.8 Ų109.852%0.51953%0.527SS..Hα-helixtrans-62.2-40.2179.3-171.656.7000112.6Q297 V298 R303 E304 V305Q297-H301 PolarHBondContact O-N 2.97Å; V298-H301 PolarHBondContact O-N 3.04Å; H301-R303 VanDerWaalsContact C-N 3.29Å; H301-R303 PolarHBondContact O-N 3.15Å; H301-E304 IonicContact ND1-OE2 2.66Å; H301-E304 PolarHBondContact O-N 3.47Å; H301-V305 WeakPolarHBondContact O-CB 3.24Å; H301-V305 WeakPolarHBondContact O-CG2 3.49Å; H301-V305 PolarHBondContact O-N 3.05Å
302M98.4Very high98.6Very high121 Ų121107.5 Ų107.560%0.59652%0.52SS*.Hα-helixtrans-60.5-35.8174.2-73.6-177.378.700112.7V298 K300 A306V298-M302 HydrophobicContact CG1-CG 4.37Å; V298-M302 HydrophobicContact CG1-SD 4.17Å; V298-M302 WeakPolarHBondContact O-CB 3.31Å; V298-M302 WeakPolarHBondContact O-CG 3.46Å; V298-M302 PolarHBondContact O-N 3.47Å; K300-M302 PolarHBondContact O-N 2.93Å; M302-A306 VanDerWaalsContact O-CB 3.28Å; M302-A306 WeakPolarHBondContact O-CB 3.46Å; M302-A306 PolarHBondContact O-N 3.06Å
303R98.6Very high98.6Very high152 Ų152106.5 Ų106.557%0.57451%0.513SS*.Hα-helixtrans-68.1-44.7174.1-67.3162.3-171.8163.54.8111.3L299 K300 H301 A306 Q307L299-R303 WeakPolarHBondContact O-CD 3.41Å; L299-R303 VanDerWaalsContact O-CG 3.25Å; L299-R303 WeakPolarHBondContact O-CG 3.43Å; L299-R303 PolarHBondContact O-N 3.01Å; K300-R303 WeakPolarHBondContact O-CB 3.27Å; K300-R303 PolarHBondContact O-N 2.82Å; K300-R303 VanDerWaalsContact O-N 3.1Å; H301-R303 VanDerWaalsContact C-N 3.29Å; H301-R303 PolarHBondContact O-N 3.15Å; R303-A306 PolarHBondContact O-N 3.2Å; R303-Q307 WeakPolarHBondContact O-CB 3.45Å; R303-Q307 VanDerWaalsContact O-CG 3.32Å; R303-Q307 WeakPolarHBondContact O-CG 3.39Å; R303-Q307 PolarHBondContact O-N 3.37Å
304E98.6Very high98.6Very high78 Ų78105.5 Ų105.536%0.36451%0.513SS..Hα-helixtrans-60.6-45.1177.1-67.4164.5175.800111.4K300 H301 Q307 R308K300-E304 WeakPolarHBondContact CE-OE1 3.48Å; K300-E304 IonicContact NZ-OE1 3.93Å; K300-E304 PolarHBondContact NZ-OE1 3.07Å; K300-E304 WeakPolarHBondContact O-CG 3.32Å; K300-E304 PolarHBondContact O-N 3.24Å; H301-E304 IonicContact ND1-OE2 2.66Å; H301-E304 PolarHBondContact O-N 3.47Å; E304-Q307 PolarHBondContact O-N 2.92Å; E304-R308 WeakPolarHBondContact O-CB 3.33Å; E304-R308 PolarHBondContact O-N 3.2Å
305V98.8Very high98.6Very high77 Ų77106 Ų10647%0.46751%0.509SS..Hα-helixtrans-64.5-41.8175.81710000111.5H301 R308 R309H301-V305 WeakPolarHBondContact O-CB 3.24Å; H301-V305 WeakPolarHBondContact O-CG2 3.49Å; H301-V305 PolarHBondContact O-N 3.05Å; V305-R308 PolarHBondContact O-N 2.59Å; V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 2.78Å
306A98.4Very high98.6Very high58 Ų58105.8 Ų105.848%0.47951%0.505SS..Hα-helixtrans-63.8-43176.200000112.1M302 R303 R309 Q310M302-A306 VanDerWaalsContact O-CB 3.28Å; M302-A306 WeakPolarHBondContact O-CB 3.46Å; M302-A306 PolarHBondContact O-N 3.06Å; R303-A306 PolarHBondContact O-N 3.2Å; A306-R309 PolarHBondContact O-N 3.35Å; A306-Q310 PolarHBondContact O-N 3.08Å
307Q98.6Very high98.6Very high130 Ų130103.9 Ų103.961%0.60750%0.496SS*.Hα-helixtrans-62.8-45.8174.2-73.9172.5-13.400111.7R303 E304 R309 Q310 Q311R303-Q307 WeakPolarHBondContact O-CB 3.45Å; R303-Q307 VanDerWaalsContact O-CG 3.32Å; R303-Q307 WeakPolarHBondContact O-CG 3.39Å; R303-Q307 PolarHBondContact O-N 3.37Å; E304-Q307 PolarHBondContact O-N 2.92Å; Q307-R309 VanDerWaalsContact C-N 3.31Å; Q307-R309 PolarHBondContact O-N 2.98Å; Q307-Q310 PolarHBondContact O-N 3.15Å; Q307-Q311 WeakPolarHBondContact O-CB 3.42Å; Q307-Q311 PolarHBondContact O-N 3.48Å
308R98.7Very high98.6Very high132 Ų132104 Ų10450%0.49850%0.496SS..Hα-helixtrans-65.7-35.2178.8-168.759.8-179.9125.7-3.9112E304 V305 Q311 L312 E315E304-R308 WeakPolarHBondContact O-CB 3.33Å; E304-R308 PolarHBondContact O-N 3.2Å; V305-R308 PolarHBondContact O-N 2.59Å; R308-Q311 PolarHBondContact O-N 3.18Å; R308-L312 HydrophobicContact CG-CD1 4.43Å; R308-L312 VanDerWaalsContact O-CG 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.23Å; R308-L312 PolarHBondContact O-N 3.26Å; R308-E315 IonicContact NH1-OE1 2.73Å; R308-E315 PolarHBondContact NH1-OE1 3.13Å; R308-E315 VanDerWaalsContact NH1-OE1 3.11Å; R308-E315 IonicContact NH1-OE2 3.18Å
309R98.5Very high98.6Very high157 Ų157103.4 Ų103.459%0.59250%0.499SS*.Hα-helixtrans-62-49.9170.6178-177.2162.2-159.4-14.5111.6V305 A306 Q307 Q311 L312 E313V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 2.78Å; A306-R309 PolarHBondContact O-N 3.35Å; Q307-R309 VanDerWaalsContact C-N 3.31Å; Q307-R309 PolarHBondContact O-N 2.98Å; R309-Q311 VanDerWaalsContact C-N 3.27Å; R309-Q311 PolarHBondContact O-N 3.29Å; R309-L312 PolarHBondContact O-N 2.69Å; R309-L312 VanDerWaalsContact O-N 3.11Å; R309-E313 HydrophobicContact CG-CG 4.49Å; R309-E313 IonicContact CZ-OE1 3.76Å; R309-E313 IonicContact NE-OE1 3.64Å; R309-E313 PolarHBondContact NE-OE1 3.36Å; R309-E313 IonicContact NH2-OE1 3.2Å; R309-E313 PolarHBondContact NH2-OE1 2.82Å; R309-E313 WeakPolarHBondContact O-CG 3.25Å; R309-E313 PolarHBondContact O-N 2.91Å
310Q98.6Very high98.6Very high130 Ų130103.9 Ų103.961%0.60750%0.495SS*.Hα-helixtrans-58.6-41.3178.8-175.8-179.7-1.100111.4A306 Q307 E313 V314A306-Q310 PolarHBondContact O-N 3.08Å; Q307-Q310 PolarHBondContact O-N 3.15Å; Q310-E313 PolarHBondContact O-N 3.04Å; Q310-V314 WeakPolarHBondContact O-CG2 3.35Å; Q310-V314 PolarHBondContact O-N 3.39Å; Q310-V314 VanDerWaalsContact O-N 3.09Å
311Q98.6Very high98.6Very high94 Ų94102.5 Ų102.544%0.43949%0.493SS..Hα-helixtrans-62-43.7174.8177.25928.900112.1Q307 R308 R309 E313 V314 E315Q307-Q311 WeakPolarHBondContact O-CB 3.42Å; Q307-Q311 PolarHBondContact O-N 3.48Å; R308-Q311 PolarHBondContact O-N 3.18Å; R309-Q311 VanDerWaalsContact C-N 3.27Å; R309-Q311 PolarHBondContact O-N 3.29Å; Q311-E313 VanDerWaalsContact C-N 3.33Å; Q311-E313 PolarHBondContact O-N 3.03Å; Q311-V314 PolarHBondContact O-N 3.42Å; Q311-E315 VanDerWaalsContact CG-OE1 3.25Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.38Å; Q311-E315 PolarHBondContact NE2-OE1 3.09Å; Q311-E315 WeakPolarHBondContact O-CG 3.46Å; Q311-E315 PolarHBondContact O-N 3.01Å
312L98.6Very high98.6Very high87 Ų8799.9 Ų99.946%0.45549%0.487SS..Hα-helixtrans-65.3-33175.3-72.8165.6000112.9R308 R309 H316R308-L312 HydrophobicContact CG-CD1 4.43Å; R308-L312 VanDerWaalsContact O-CG 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.23Å; R308-L312 PolarHBondContact O-N 3.26Å; R309-L312 PolarHBondContact O-N 2.69Å; R309-L312 VanDerWaalsContact O-N 3.11Å; L312-H316 WeakPolarHBondContact O-CB 3.48Å; L312-H316 PolarHBondContact O-N 2.99Å
313E98.5Very high98.6Very high91 Ų9199.6 Ų99.643%0.42549%0.487SS..Hα-helixtrans-67.3-37.7174.6-73.1174.4172.400111.8R309 Q310 Q311 E317R309-E313 HydrophobicContact CG-CG 4.49Å; R309-E313 IonicContact CZ-OE1 3.76Å; R309-E313 IonicContact NE-OE1 3.64Å; R309-E313 PolarHBondContact NE-OE1 3.36Å; R309-E313 IonicContact NH2-OE1 3.2Å; R309-E313 PolarHBondContact NH2-OE1 2.82Å; R309-E313 WeakPolarHBondContact O-CG 3.25Å; R309-E313 PolarHBondContact O-N 2.91Å; Q310-E313 PolarHBondContact O-N 3.04Å; Q311-E313 VanDerWaalsContact C-N 3.33Å; Q311-E313 PolarHBondContact O-N 3.03Å; E313-E317 PolarHBondContact O-N 3.25Å; E313-E317 VanDerWaalsContact O-N 3.11Å
314V98.6Very high98.6Very high83 Ų8398.3 Ų98.350%0.50348%0.483SS..Hα-helixtrans-67.8-47.9172.4173.80000111.5Q310 Q311 H316 E317 Q318Q310-V314 WeakPolarHBondContact O-CG2 3.35Å; Q310-V314 PolarHBondContact O-N 3.39Å; Q310-V314 VanDerWaalsContact O-N 3.09Å; Q311-V314 PolarHBondContact O-N 3.42Å; V314-H316 VanDerWaalsContact C-N 3.26Å; V314-H316 PolarHBondContact O-N 2.94Å; V314-E317 PolarHBondContact O-N 3.31Å; V314-Q318 WeakPolarHBondContact O-CB 2.98Å; V314-Q318 PolarHBondContact O-N 2.89Å
315E98.4Very high98.6Very high75 Ų75100.6 Ų100.635%0.3549%0.493SS..Hα-helixtrans-56.6-40.7175.8-73.1168.5-158.600111.3R308 Q311 Q318 A319R308-E315 IonicContact NH1-OE1 2.73Å; R308-E315 PolarHBondContact NH1-OE1 3.13Å; R308-E315 VanDerWaalsContact NH1-OE1 3.11Å; R308-E315 IonicContact NH1-OE2 3.18Å; Q311-E315 VanDerWaalsContact CG-OE1 3.25Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.38Å; Q311-E315 PolarHBondContact NE2-OE1 3.09Å; Q311-E315 WeakPolarHBondContact O-CG 3.46Å; Q311-E315 PolarHBondContact O-N 3.01Å; E315-Q318 PolarHBondContact O-N 3.47Å; E315-A319 WeakPolarHBondContact O-CB 3.33Å; E315-A319 PolarHBondContact O-N 3.27Å
316H98.5Very high98.6Very high107 Ų107102.2 Ų102.250%0.49549%0.494SS..Hα-helixtrans-67-45.4178170.9-113.4000113.6L312 V314 A319 R320L312-H316 WeakPolarHBondContact O-CB 3.48Å; L312-H316 PolarHBondContact O-N 2.99Å; V314-H316 VanDerWaalsContact C-N 3.26Å; V314-H316 PolarHBondContact O-N 2.94Å; H316-A319 PolarHBondContact O-N 2.84Å; H316-R320 WeakPolarHBondContact CE1-CD 3.42Å; H316-R320 VanDerWaalsContact NE2-CD 3.34Å; H316-R320 WeakPolarHBondContact NE2-CD 3.31Å; H316-R320 WeakPolarHBondContact O-CD 3.09Å; H316-R320 VanDerWaalsContact O-CG 3.31Å; H316-R320 WeakPolarHBondContact O-CG 3.45Å; H316-R320 PolarHBondContact O-N 3.02Å
317E98.6Very high98.6Very high78 Ų78103.7 Ų103.736%0.36449%0.491SS..Hα-helixtrans-69.7-33.3175.4-77.1-62.1156.200112.1E313 V314 R320 L321E313-E317 PolarHBondContact O-N 3.25Å; E313-E317 VanDerWaalsContact O-N 3.11Å; V314-E317 PolarHBondContact O-N 3.31Å; E317-R320 PolarHBondContact O-N 2.9Å; E317-R320 IonicContact OE1-CZ 2.66Å; E317-R320 IonicContact OE1-NE 3.96Å; E317-R320 PolarHBondContact OE1-NE 3.21Å; E317-R320 IonicContact OE1-NH2 2.71Å; E317-R320 PolarHBondContact OE1-NH2 3.35Å; E317-R320 IonicContact OE2-CZ 3.74Å; E317-R320 IonicContact OE2-NE 3.47Å; E317-R320 PolarHBondContact OE2-NE 2.9Å; E317-R320 IonicContact OE2-NH2 3.49Å; E317-L321 WeakPolarHBondContact O-CG 3.41Å; E317-L321 PolarHBondContact O-N 3.09Å
318Q98.6Very high98.6Very high136 Ų136102.8 Ų102.864%0.63649%0.487SS*.Hα-helixtrans-62.9-43.3171.7-173.2173.5-0.300111.8V314 E315 R320 L321 S322V314-Q318 WeakPolarHBondContact O-CB 2.98Å; V314-Q318 PolarHBondContact O-N 2.89Å; E315-Q318 PolarHBondContact O-N 3.47Å; Q318-R320 VanDerWaalsContact C-N 3.3Å; Q318-R320 PolarHBondContact O-N 2.87Å; Q318-L321 PolarHBondContact O-N 2.94Å; Q318-S322 PolarHBondContact O-N 3.08Å
319A98.5Very high98.5Very high62 Ų62101 Ų10151%0.51248%0.484SS..Hα-helixtrans-61.7-37.3173.600000112.2E315 H316 L323E315-A319 WeakPolarHBondContact O-CB 3.33Å; E315-A319 PolarHBondContact O-N 3.27Å; H316-A319 PolarHBondContact O-N 2.84Å; A319-L323 WeakPolarHBondContact O-CB 3.49Å; A319-L323 PolarHBondContact O-N 2.87Å
320R98.8Very high98.5Very high100 Ų10096.4 Ų96.438%0.37747%0.473SS..Hα-helixtrans-69-36.1175.9-75.916050101.4-20.1113.3H316 E317 Q318 R324H316-R320 WeakPolarHBondContact CE1-CD 3.42Å; H316-R320 VanDerWaalsContact NE2-CD 3.34Å; H316-R320 WeakPolarHBondContact NE2-CD 3.31Å; H316-R320 WeakPolarHBondContact O-CD 3.09Å; H316-R320 VanDerWaalsContact O-CG 3.31Å; H316-R320 WeakPolarHBondContact O-CG 3.45Å; H316-R320 PolarHBondContact O-N 3.02Å; E317-R320 PolarHBondContact O-N 2.9Å; E317-R320 IonicContact OE1-CZ 2.66Å; E317-R320 IonicContact OE1-NE 3.96Å; E317-R320 PolarHBondContact OE1-NE 3.21Å; E317-R320 IonicContact OE1-NH2 2.71Å; E317-R320 PolarHBondContact OE1-NH2 3.35Å; E317-R320 IonicContact OE2-CZ 3.74Å; E317-R320 IonicContact OE2-NE 3.47Å; E317-R320 PolarHBondContact OE2-NE 2.9Å; E317-R320 IonicContact OE2-NH2 3.49Å; Q318-R320 VanDerWaalsContact C-N 3.3Å; Q318-R320 PolarHBondContact O-N 2.87Å; R320-R324 WeakPolarHBondContact O-CG 3.48Å; R320-R324 PolarHBondContact O-N 3.43Å; R320-R324 VanDerWaalsContact O-N 3.08Å
321L98.6Very high98.5Very high92 Ų9296.7 Ų96.748%0.48247%0.469SS..Hα-helixtrans-64.4-50.2172.3-70.3173.5000110.7E317 Q318 L323 R324 E325E317-L321 WeakPolarHBondContact O-CG 3.41Å; E317-L321 PolarHBondContact O-N 3.09Å; Q318-L321 PolarHBondContact O-N 2.94Å; L321-L323 VanDerWaalsContact C-N 3.28Å; L321-L323 PolarHBondContact O-N 2.77Å; L321-R324 WeakPolarHBondContact O-CB 3.28Å; L321-R324 PolarHBondContact O-N 2.87Å; L321-E325 PolarHBondContact O-N 3.3Å
322S98.5Very high98.5Very high57 Ų57101.7 Ų101.740%0.39948%0.484SS..Hα-helixtrans-61-36.9177.8-166.70000112.6Q318 R324 E325 K326Q318-S322 PolarHBondContact O-N 3.08Å; S322-R324 PolarHBondContact O-N 2.73Å; S322-E325 PolarHBondContact O-N 2.97Å; S322-K326 WeakPolarHBondContact O-CG 3.09Å; S322-K326 PolarHBondContact O-N 2.89Å
323L98.7Very high98.5Very high116 Ų116103 Ų10361%0.60749%0.49SS*.Hα-helixtrans-64.4-36.6173.2-177.161.3000112.7A319 L321 Q327A319-L323 WeakPolarHBondContact O-CB 3.49Å; A319-L323 PolarHBondContact O-N 2.87Å; L321-L323 VanDerWaalsContact C-N 3.28Å; L321-L323 PolarHBondContact O-N 2.77Å; L323-Q327 VanDerWaalsContact O-CB 3.29Å; L323-Q327 WeakPolarHBondContact O-CB 3.44Å; L323-Q327 PolarHBondContact O-N 2.84Å
324R98.6Very high98.5Very high125 Ų125104.1 Ų104.147%0.47250%0.496SS..Hα-helixtrans-66-45.4174.1-72.1171.8-168.9160.68.7111.5R320 L321 S322 K326 Q327 E328R320-R324 WeakPolarHBondContact O-CG 3.48Å; R320-R324 PolarHBondContact O-N 3.43Å; R320-R324 VanDerWaalsContact O-N 3.08Å; L321-R324 WeakPolarHBondContact O-CB 3.28Å; L321-R324 PolarHBondContact O-N 2.87Å; S322-R324 PolarHBondContact O-N 2.73Å; R324-K326 VanDerWaalsContact C-N 3.33Å; R324-K326 PolarHBondContact O-N 3.48Å; R324-Q327 WeakPolarHBondContact O-CB 3.27Å; R324-Q327 PolarHBondContact O-N 2.94Å; R324-Q327 VanDerWaalsContact O-N 3.1Å; R324-E328 PolarHBondContact O-N 3.38Å
325E98.6Very high98.5Very high125 Ų125105.8 Ų105.858%0.58450%0.498SS*.Hα-helixtrans-56.9-47.4175.8-66.4173.2158.600111L321 S322 Q327 E328 E329L321-E325 PolarHBondContact O-N 3.3Å; S322-E325 PolarHBondContact O-N 2.97Å; E325-Q327 VanDerWaalsContact C-N 3.33Å; E325-Q327 PolarHBondContact O-N 3.12Å; E325-E328 PolarHBondContact O-N 3.38Å; E325-E329 PolarHBondContact O-N 3.22Å
326K98.3Very high98.5Very high111 Ų111104.8 Ų104.848%0.48350%0.503SS..Hα-helixtrans-65-35175.8-66.9-71148-164.30112.5S322 R324 E328 E329 V330S322-K326 WeakPolarHBondContact O-CG 3.09Å; S322-K326 PolarHBondContact O-N 2.89Å; R324-K326 VanDerWaalsContact C-N 3.33Å; R324-K326 PolarHBondContact O-N 3.48Å; K326-E328 VanDerWaalsContact C-N 3.33Å; K326-E328 PolarHBondContact O-N 3.13Å; K326-E329 WeakPolarHBondContact CD-OE2 3.37Å; K326-E329 WeakPolarHBondContact CE-OE2 3.44Å; K326-E329 IonicContact NZ-OE1 3.86Å; K326-E329 IonicContact NZ-OE2 3.82Å; K326-E329 PolarHBondContact NZ-OE2 3Å; K326-E329 PolarHBondContact O-N 3.49Å; K326-V330 WeakPolarHBondContact O-CB 3.27Å; K326-V330 VanDerWaalsContact O-CG2 3.31Å; K326-V330 WeakPolarHBondContact O-CG2 3.06Å; K326-V330 PolarHBondContact O-N 2.67Å
327Q98.4Very high98.4Very high89 Ų89105.4 Ų105.442%0.41651%0.506SS..Hα-helixtrans-66.4-34.1174.4-16969.287.300112.3L323 R324 E325 R331L323-Q327 VanDerWaalsContact O-CB 3.29Å; L323-Q327 WeakPolarHBondContact O-CB 3.44Å; L323-Q327 PolarHBondContact O-N 2.84Å; R324-Q327 WeakPolarHBondContact O-CB 3.27Å; R324-Q327 PolarHBondContact O-N 2.94Å; R324-Q327 VanDerWaalsContact O-N 3.1Å; E325-Q327 VanDerWaalsContact C-N 3.33Å; E325-Q327 PolarHBondContact O-N 3.12Å; Q327-R331 WeakPolarHBondContact O-CG 3.15Å; Q327-R331 PolarHBondContact O-N 2.95Å; Q327-R331 VanDerWaalsContact O-N 3.13Å
328E98.4Very high98.4Very high112 Ų112104.1 Ų104.152%0.52351%0.509SS..Hα-helixtrans-76.6-37.4175.3-72.8175.9-160.900112.8R324 E325 K326 R331 R332R324-E328 PolarHBondContact O-N 3.38Å; E325-E328 PolarHBondContact O-N 3.38Å; K326-E328 VanDerWaalsContact C-N 3.33Å; K326-E328 PolarHBondContact O-N 3.13Å; E328-R331 PolarHBondContact O-N 2.81Å; E328-R332 PolarHBondContact O-N 2.96Å
329E98.3Very high98.4Very high94 Ų94101 Ų10144%0.43949%0.494SS..Hα-helixtrans-59.3-46169.9-172.5173.8-152.400111E325 K326 R331 R332 L333E325-E329 PolarHBondContact O-N 3.22Å; K326-E329 WeakPolarHBondContact CD-OE2 3.37Å; K326-E329 WeakPolarHBondContact CE-OE2 3.44Å; K326-E329 IonicContact NZ-OE1 3.86Å; K326-E329 IonicContact NZ-OE2 3.82Å; K326-E329 PolarHBondContact NZ-OE2 3Å; K326-E329 PolarHBondContact O-N 3.49Å; E329-R331 PolarHBondContact O-N 2.9Å; E329-R332 PolarHBondContact O-N 2.68Å; E329-L333 HydrophobicContact CG-CD1 4.38Å; E329-L333 WeakPolarHBondContact O-CG 3.39Å; E329-L333 PolarHBondContact O-N 3.33Å
330V98.4Very high98.3Very high61 Ų61100.7 Ų100.737%0.3749%0.492SS..Hα-helixtrans-60.2-42.2173.7168.30000112K326 R332 L333 Q334K326-V330 WeakPolarHBondContact O-CB 3.27Å; K326-V330 VanDerWaalsContact O-CG2 3.31Å; K326-V330 WeakPolarHBondContact O-CG2 3.06Å; K326-V330 PolarHBondContact O-N 2.67Å; V330-R332 PolarHBondContact O-N 3.48Å; V330-L333 PolarHBondContact O-N 2.83Å; V330-Q334 HydrophobicContact CG1-CG 4.41Å; V330-Q334 WeakPolarHBondContact O-CB 3.18Å; V330-Q334 VanDerWaalsContact O-CG 3.29Å; V330-Q334 WeakPolarHBondContact O-CG 3.11Å; V330-Q334 PolarHBondContact O-N 3.2Å
331R98.6Very high98.3Very high135 Ų135100.9 Ų100.951%0.50950%0.497SS..Hα-helixtrans-62.2-41.7175.5-74.2174-167.9125.1-1.7112.2Q327 E328 E329 Q334 Q335Q327-R331 WeakPolarHBondContact O-CG 3.15Å; Q327-R331 PolarHBondContact O-N 2.95Å; Q327-R331 VanDerWaalsContact O-N 3.13Å; E328-R331 PolarHBondContact O-N 2.81Å; E329-R331 PolarHBondContact O-N 2.9Å; R331-Q334 PolarHBondContact O-N 2.88Å; R331-Q335 PolarHBondContact O-N 3.19Å
332R98.5Very high98.3Very high200 Ų200103 Ų10376%0.75550%0.498SS*.Hα-helixtrans-63.2-42.5176.3-79.5179142.5178.2-5.3111.9E328 E329 V330 Q335 A336E328-R332 PolarHBondContact O-N 2.96Å; E329-R332 PolarHBondContact O-N 2.68Å; V330-R332 PolarHBondContact O-N 3.48Å; R332-Q335 PolarHBondContact O-N 3.3Å; R332-A336 WeakPolarHBondContact O-CB 3.22Å; R332-A336 PolarHBondContact O-N 2.69Å
333L98.4Very high98.2Very high113 Ų113106.6 Ų106.659%0.59251%0.509SS*.Hα-helixtrans-65.1-40.6175.3-68.3170.8000111.9E329 V330 A336 Q337E329-L333 HydrophobicContact CG-CD1 4.38Å; E329-L333 WeakPolarHBondContact O-CG 3.39Å; E329-L333 PolarHBondContact O-N 3.33Å; V330-L333 PolarHBondContact O-N 2.83Å; L333-A336 PolarHBondContact O-N 2.94Å; L333-Q337 WeakPolarHBondContact O-CB 3.44Å; L333-Q337 PolarHBondContact O-N 3.01Å
334Q98.1Very high98.1Very high115 Ų115107.1 Ų107.154%0.53751%0.508SS..Hα-helixtrans-62.7-42.3174.2-75.2172.6-2000112.4V330 R331 Q337 A338V330-Q334 HydrophobicContact CG1-CG 4.41Å; V330-Q334 WeakPolarHBondContact O-CB 3.18Å; V330-Q334 VanDerWaalsContact O-CG 3.29Å; V330-Q334 WeakPolarHBondContact O-CG 3.11Å; V330-Q334 PolarHBondContact O-N 3.2Å; R331-Q334 PolarHBondContact O-N 2.88Å; Q334-Q337 PolarHBondContact O-N 3.43Å; Q334-A338 PolarHBondContact O-N 2.92Å
335Q98.4Very high98Very high118 Ų118106.5 Ų106.555%0.55151%0.511SS*.Hα-helixtrans-62.6-50.2174.4-179.9178.1-12.100111.1R331 R332 Q337 A338 E339R331-Q335 PolarHBondContact O-N 3.19Å; R332-Q335 PolarHBondContact O-N 3.3Å; Q335-Q337 VanDerWaalsContact C-N 3.25Å; Q335-Q337 PolarHBondContact O-N 3.08Å; Q335-A338 PolarHBondContact O-N 3.1Å; Q335-A338 VanDerWaalsContact O-N 3.13Å; Q335-E339 HydrophobicContact CG-CG 4.35Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.25Å; Q335-E339 PolarHBondContact NE2-OE1 2.7Å; Q335-E339 WeakPolarHBondContact O-CG 3.23Å; Q335-E339 PolarHBondContact O-N 3.29Å
336A97.9Very high98Very high55 Ų55102.2 Ų102.246%0.45550%0.5SS..Hα-helixtrans-60.4-35.2178.700000112.4R332 L333 A340R332-A336 WeakPolarHBondContact O-CB 3.22Å; R332-A336 PolarHBondContact O-N 2.69Å; L333-A336 PolarHBondContact O-N 2.94Å; A336-A340 VanDerWaalsContact O-CB 3.32Å; A336-A340 WeakPolarHBondContact O-CB 3.49Å; A336-A340 PolarHBondContact O-N 2.87Å
337Q97.9Very high97.9Very high119 Ų11999.3 Ų99.356%0.55650%0.496SS*.Hα-helixtrans-66-44.4173.9-175.8175.15.600112L333 Q334 Q335 A340 Q341L333-Q337 WeakPolarHBondContact O-CB 3.44Å; L333-Q337 PolarHBondContact O-N 3.01Å; Q334-Q337 PolarHBondContact O-N 3.43Å; Q335-Q337 VanDerWaalsContact C-N 3.25Å; Q335-Q337 PolarHBondContact O-N 3.08Å; Q337-A340 PolarHBondContact O-N 2.84Å; Q337-Q341 WeakPolarHBondContact O-CB 3.48Å; Q337-Q341 WeakPolarHBondContact O-CG 3.44Å; Q337-Q341 PolarHBondContact O-N 2.84Å
338A98Very high97.9Very high52 Ų5297.5 Ų97.543%0.4349%0.491SS..Hα-helixtrans-67.1-36.3177.200000112.4Q334 Q335 Q341 R342Q334-A338 PolarHBondContact O-N 2.92Å; Q335-A338 PolarHBondContact O-N 3.1Å; Q335-A338 VanDerWaalsContact O-N 3.13Å; A338-Q341 PolarHBondContact O-N 2.87Å; A338-R342 WeakPolarHBondContact O-CB 3.48Å; A338-R342 PolarHBondContact O-N 2.9Å
339E97.5Very high97.8Very high70 Ų7098.1 Ų98.133%0.32749%0.494SS..Hα-helixtrans-66.5-43.2174.5-70.1177.5179.100111.4Q335 R342 E343Q335-E339 HydrophobicContact CG-CG 4.35Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.25Å; Q335-E339 PolarHBondContact NE2-OE1 2.7Å; Q335-E339 WeakPolarHBondContact O-CG 3.23Å; Q335-E339 PolarHBondContact O-N 3.29Å; E339-R342 PolarHBondContact O-N 2.83Å; E339-E343 WeakPolarHBondContact O-CG 3.43Å; E339-E343 PolarHBondContact O-N 2.84Å
340A97.9Very high97.8Very high56 Ų5699.1 Ų99.146%0.46350%0.502SS..Hα-helixtrans-66.2-33.3173.700000113.2A336 Q337 H344A336-A340 VanDerWaalsContact O-CB 3.32Å; A336-A340 WeakPolarHBondContact O-CB 3.49Å; A336-A340 PolarHBondContact O-N 2.87Å; Q337-A340 PolarHBondContact O-N 2.84Å; A340-H344 WeakPolarHBondContact O-CB 3.49Å; A340-H344 PolarHBondContact O-N 3.32Å
341Q97.9Very high97.7Very high103 Ų103101.8 Ų101.848%0.48151%0.514SS..Hα-helixtrans-65.1-48.6172-78.8175.3-45.700111.3Q337 A338 E343 H344 E345Q337-Q341 WeakPolarHBondContact O-CB 3.48Å; Q337-Q341 WeakPolarHBondContact O-CG 3.44Å; Q337-Q341 PolarHBondContact O-N 2.84Å; A338-Q341 PolarHBondContact O-N 2.87Å; Q341-E343 VanDerWaalsContact C-N 3.31Å; Q341-E343 PolarHBondContact O-N 2.89Å; Q341-H344 WeakPolarHBondContact O-CB 3.46Å; Q341-H344 PolarHBondContact O-N 2.9Å; Q341-H344 VanDerWaalsContact O-N 3.11Å; Q341-E345 WeakPolarHBondContact O-CG 3.38Å; Q341-E345 PolarHBondContact O-N 2.96Å
342R97.9Very high97.7Very high137 Ų137100.5 Ų100.552%0.51751%0.513SS..Hα-helixtrans-59-40.1175.4-179.7-165.865.1-139.3-8.6112.4A338 E339 G346A338-R342 WeakPolarHBondContact O-CB 3.48Å; A338-R342 PolarHBondContact O-N 2.9Å; E339-R342 PolarHBondContact O-N 2.83Å; R342-G346 PolarHBondContact O-N 3.47Å
343E97Very high97.6Very high132 Ų13294.5 Ų94.562%0.61750%0.502SS*.Hα-helixtrans-67-38.4174.8-76176.1-16500112.3E339 Q341 A347E339-E343 WeakPolarHBondContact O-CG 3.43Å; E339-E343 PolarHBondContact O-N 2.84Å; Q341-E343 VanDerWaalsContact C-N 3.31Å; Q341-E343 PolarHBondContact O-N 2.89Å; E343-A347 WeakPolarHBondContact O-CB 3.34Å; E343-A347 PolarHBondContact O-N 2.77Å
344H97.4Very high97.5Very high127 Ų12792.4 Ų92.459%0.58849%0.494SS*.Hα-helixtrans-65.3-45.9173.7179.939.5000112A340 Q341 A347 V348A340-H344 WeakPolarHBondContact O-CB 3.49Å; A340-H344 PolarHBondContact O-N 3.32Å; Q341-H344 WeakPolarHBondContact O-CB 3.46Å; Q341-H344 PolarHBondContact O-N 2.9Å; Q341-H344 VanDerWaalsContact O-N 3.11Å; H344-A347 PolarHBondContact O-N 3.24Å; H344-V348 WeakPolarHBondContact O-CG2 3.34Å; H344-V348 PolarHBondContact O-N 2.99Å
345E97.1Very high97.5Very high113 Ų11391.6 Ų91.653%0.52849%0.493SS..Hα-helixtrans-58.8-46.1175.3-73.3169.9-172.900111.5Q341 A347 V348 Q349Q341-E345 WeakPolarHBondContact O-CG 3.38Å; Q341-E345 PolarHBondContact O-N 2.96Å; E345-A347 VanDerWaalsContact C-N 3.33Å; E345-A347 PolarHBondContact O-N 3.04Å; E345-V348 PolarHBondContact O-N 3.34Å; E345-Q349 WeakPolarHBondContact O-CG 3.19Å; E345-Q349 PolarHBondContact O-N 3.25Å
346G97Very high97.4Very high35 Ų3590.8 Ų90.836%0.36149%0.492SS..Hα-helixtrans-62.9-36.3175.500000113.3R342 L350R342-G346 PolarHBondContact O-N 3.47Å; G346-L350 WeakPolarHBondContact O-CB 3.38Å; G346-L350 PolarHBondContact O-N 3.03Å; G346-L350 VanDerWaalsContact O-N 3.09Å
347A97.4Very high97.4Very high49 Ų4992 Ų9241%0.40550%0.497SS..Hα-helixtrans-69.7-35.6173.900000112.6E343 H344 E345 L351E343-A347 WeakPolarHBondContact O-CB 3.34Å; E343-A347 PolarHBondContact O-N 2.77Å; H344-A347 PolarHBondContact O-N 3.24Å; E345-A347 VanDerWaalsContact C-N 3.33Å; E345-A347 PolarHBondContact O-N 3.04Å; A347-L351 WeakPolarHBondContact O-CG 3.36Å; A347-L351 PolarHBondContact O-N 3.23Å; A347-L351 VanDerWaalsContact O-N 3.14Å
348V97.9Very high97.3Very high52 Ų5292.4 Ų92.432%0.31550%0.501SS..Hα-helixtrans-67.1-48.31741700000110.6H344 E345 L350 L351 E352H344-V348 WeakPolarHBondContact O-CG2 3.34Å; H344-V348 PolarHBondContact O-N 2.99Å; E345-V348 PolarHBondContact O-N 3.34Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 2.9Å; V348-L351 WeakPolarHBondContact O-CA 3.42Å; V348-L351 WeakPolarHBondContact O-CB 3.37Å; V348-L351 PolarHBondContact O-N 3.27Å; V348-E352 HydrophobicContact CG1-CG 4.25Å; V348-E352 WeakPolarHBondContact O-CG 3.11Å; V348-E352 PolarHBondContact O-N 2.95Å
349Q96.9Very high97.2Very high124 Ų12493.5 Ų93.558%0.57950%0.497SS*.Hα-helixtrans-58.3-37.2176.8-71.1168.920.800112.5E345 S353E345-Q349 WeakPolarHBondContact O-CG 3.19Å; E345-Q349 PolarHBondContact O-N 3.25Å; Q349-S353 VanDerWaalsContact O-CB 3.3Å; Q349-S353 WeakPolarHBondContact O-CB 3.2Å; Q349-S353 PolarHBondContact O-N 2.88Å
350L97.6Very high97.2Very high115 Ų11592.8 Ų92.860%0.60250%0.503SS*.Hα-helixtrans-65.3-42.8173.8-178.761.5000111.7G346 V348 S353 T354G346-L350 WeakPolarHBondContact O-CB 3.38Å; G346-L350 PolarHBondContact O-N 3.03Å; G346-L350 VanDerWaalsContact O-N 3.09Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 2.9Å; L350-S353 PolarHBondContact O-N 3.4Å; L350-T354 WeakPolarHBondContact O-CG2 3.35Å; L350-T354 PolarHBondContact O-N 2.97Å; L350-T354 PolarHBondContact O-OG1 2.92Å
351L97.2Very high97.1Very high118 Ų11896.3 Ų96.362%0.61851%0.505SS*.Hα-helixtrans-65.5-43.7177-72.1168.4000111.8A347 V348 T354 L355A347-L351 WeakPolarHBondContact O-CG 3.36Å; A347-L351 PolarHBondContact O-N 3.23Å; A347-L351 VanDerWaalsContact O-N 3.14Å; V348-L351 WeakPolarHBondContact O-CA 3.42Å; V348-L351 WeakPolarHBondContact O-CB 3.37Å; V348-L351 PolarHBondContact O-N 3.27Å; L351-T354 WeakPolarHBondContact CA-OG1 3.47Å; L351-T354 PolarHBondContact O-N 2.83Å; L351-T354 PolarHBondContact O-OG1 3.37Å; L351-L355 WeakPolarHBondContact O-CB 3.19Å; L351-L355 PolarHBondContact O-N 3.1Å
352E97Very high97.1Very high107 Ų10795 Ų9550%0.550%0.504SS..Hα-helixtrans-57.7-48.3174-70.2172.4153.700111V348 T354 L355 D356V348-E352 HydrophobicContact CG1-CG 4.25Å; V348-E352 WeakPolarHBondContact O-CG 3.11Å; V348-E352 PolarHBondContact O-N 2.95Å; E352-T354 VanDerWaalsContact C-N 3.35Å; E352-T354 PolarHBondContact O-N 3.13Å; E352-L355 WeakPolarHBondContact O-CB 3.35Å; E352-L355 PolarHBondContact O-N 3.31Å; E352-D356 PolarHBondContact O-N 2.79Å
353S96.9Very high97Very high75 Ų7596.2 Ų96.252%0.52451%0.508SS..Hα-helixtrans-58.9-40.5175-176.60000113.1Q349 L350 S357Q349-S353 VanDerWaalsContact O-CB 3.3Å; Q349-S353 WeakPolarHBondContact O-CB 3.2Å; Q349-S353 PolarHBondContact O-N 2.88Å; L350-S353 PolarHBondContact O-N 3.4Å; S353-S357 WeakPolarHBondContact O-CB 3.38Å; S353-S357 PolarHBondContact O-N 3.28Å
354T96.7Very high97Very high68 Ų6893.4 Ų93.442%0.41750%0.495SS..Hα-helixtrans-68-35.3173.458.40000112.9L350 L351 E352 M358L350-T354 WeakPolarHBondContact O-CG2 3.35Å; L350-T354 PolarHBondContact O-N 2.97Å; L350-T354 PolarHBondContact O-OG1 2.92Å; L351-T354 WeakPolarHBondContact CA-OG1 3.47Å; L351-T354 PolarHBondContact O-N 2.83Å; L351-T354 PolarHBondContact O-OG1 3.37Å; E352-T354 VanDerWaalsContact C-N 3.35Å; E352-T354 PolarHBondContact O-N 3.13Å; T354-M358 WeakPolarHBondContact O-CB 3.37Å; T354-M358 VanDerWaalsContact O-CG 3.31Å; T354-M358 WeakPolarHBondContact O-CG 3.48Å; T354-M358 PolarHBondContact O-N 2.82Å
355L97.7Very high96.9Very high98 Ų9891.2 Ų91.251%0.51349%0.487SS..Hα-helixtrans-68.7-42.6177.6-17864.7000111.4L351 E352 M358 Q359L351-L355 WeakPolarHBondContact O-CB 3.19Å; L351-L355 PolarHBondContact O-N 3.1Å; E352-L355 WeakPolarHBondContact O-CB 3.35Å; E352-L355 PolarHBondContact O-N 3.31Å; L355-M358 PolarHBondContact O-N 3.29Å; L355-Q359 WeakPolarHBondContact O-CG 3.33Å; L355-Q359 PolarHBondContact O-N 2.89Å
356D96.9Very high96.8Very high101 Ų10190 Ų9054%0.5448%0.481SS..Hα-helixtrans-65.3-40.1175.5-78.2-16.3000111.7E352 Q359 A360E352-D356 PolarHBondContact O-N 2.79Å; D356-Q359 PolarHBondContact O-N 3.29Å; D356-Q359 PolarHBondContact OD1-NE2 3.41Å; D356-A360 WeakPolarHBondContact O-CB 3.37Å; D356-A360 PolarHBondContact O-N 3.47Å
357S96.5Very high96.8Very high80 Ų8094.7 Ų94.756%0.55949%0.494SS*.Hα-helixtrans-60.8-43.9172.2-176.50000111.9S353 A360 R361S353-S357 WeakPolarHBondContact O-CB 3.38Å; S353-S357 PolarHBondContact O-N 3.28Å; S357-A360 PolarHBondContact O-N 3.07Å; S357-R361 WeakPolarHBondContact O-CB 3Å; S357-R361 PolarHBondContact O-N 3.19Å
358M96.5Very high96.7Very high128 Ų12896.1 Ų96.163%0.63149%0.492SS*.Hα-helixtrans-64.3-41.6173.6-74.8178.363.700112.4T354 L355 R361 V362T354-M358 WeakPolarHBondContact O-CB 3.37Å; T354-M358 VanDerWaalsContact O-CG 3.31Å; T354-M358 WeakPolarHBondContact O-CG 3.48Å; T354-M358 PolarHBondContact O-N 2.82Å; L355-M358 PolarHBondContact O-N 3.29Å; M358-R361 PolarHBondContact O-N 3.07Å; M358-V362 WeakPolarHBondContact O-CG2 3.46Å; M358-V362 PolarHBondContact O-N 3.46Å
359Q97Very high96.4Very high76 Ų7697.3 Ų97.336%0.35550%0.502SS..Hα-helixtrans-62.9-43.1175.2-77.2-177.160.900112.1L355 D356 R361 V362 R363L355-Q359 WeakPolarHBondContact O-CG 3.33Å; L355-Q359 PolarHBondContact O-N 2.89Å; D356-Q359 PolarHBondContact O-N 3.29Å; D356-Q359 PolarHBondContact OD1-NE2 3.41Å; Q359-R361 VanDerWaalsContact C-N 3.32Å; Q359-R361 PolarHBondContact O-N 3.36Å; Q359-V362 PolarHBondContact O-N 3.44Å; Q359-R363 WeakPolarHBondContact O-CG 3.46Å; Q359-R363 PolarHBondContact O-N 3.44Å
360A96.1Very high96.3Very high55 Ų5598.2 Ų98.246%0.45550%0.5SS..Hα-helixtrans-60.5-43.8175.300000110.9D356 S357 V362 R363 E364D356-A360 WeakPolarHBondContact O-CB 3.37Å; D356-A360 PolarHBondContact O-N 3.47Å; S357-A360 PolarHBondContact O-N 3.07Å; A360-V362 PolarHBondContact O-N 3.04Å; A360-R363 PolarHBondContact O-N 2.79Å; A360-E364 PolarHBondContact O-N 3.02Å
361R96.8Very high96Very high130 Ų13094.9 Ų94.949%0.49149%0.486SS..Hα-helixtrans-66.8-34.6176.6-168.859175-175.19113.1S357 M358 Q359 E364 L365S357-R361 WeakPolarHBondContact O-CB 3Å; S357-R361 PolarHBondContact O-N 3.19Å; M358-R361 PolarHBondContact O-N 3.07Å; Q359-R361 VanDerWaalsContact C-N 3.32Å; Q359-R361 PolarHBondContact O-N 3.36Å; R361-E364 WeakPolarHBondContact CD-OE2 3.46Å; R361-E364 IonicContact CZ-OE1 2.69Å; R361-E364 IonicContact CZ-OE2 4Å; R361-E364 IonicContact NE-OE2 2.68Å; R361-E364 IonicContact NH1-OE1 2.7Å; R361-E364 PolarHBondContact NH1-OE1 2.96Å; R361-E364 IonicContact NH1-OE2 3.08Å; R361-E364 PolarHBondContact NH1-OE2 3.44Å; R361-E364 IonicContact NH2-OE1 3.87Å; R361-L365 HydrophobicContact CG-CD1 4.33Å; R361-L365 WeakPolarHBondContact O-CB 3.45Å; R361-L365 VanDerWaalsContact O-CG 3.25Å; R361-L365 WeakPolarHBondContact O-CG 3.23Å; R361-L365 PolarHBondContact O-N 3.36Å
362V97.3Very high95.8Very high76 Ų7694.2 Ų94.246%0.46148%0.48SS..Hα-helixtrans-64.9-44.6171.9168.40000110.8M358 Q359 A360 E364 L365 E366M358-V362 WeakPolarHBondContact O-CG2 3.46Å; M358-V362 PolarHBondContact O-N 3.46Å; Q359-V362 PolarHBondContact O-N 3.44Å; A360-V362 PolarHBondContact O-N 3.04Å; V362-E364 PolarHBondContact O-N 2.94Å; V362-L365 PolarHBondContact O-N 3.03Å; V362-E366 WeakPolarHBondContact O-CG 3.49Å; V362-E366 PolarHBondContact O-N 3.35Å
363R96.4Very high95.6Very high161 Ų16193.6 Ų93.661%0.60848%0.483SS*.Hα-helixtrans-61.8-41.6176-68.7174.9-165.7171.79.9112.3Q359 A360 E366 E367Q359-R363 WeakPolarHBondContact O-CG 3.46Å; Q359-R363 PolarHBondContact O-N 3.44Å; A360-R363 PolarHBondContact O-N 2.79Å; R363-E366 PolarHBondContact O-N 3Å; R363-E367 WeakPolarHBondContact O-CB 3.37Å; R363-E367 PolarHBondContact O-N 3.36Å
364E96.1Very high95.4Very high73 Ų7395.8 Ų95.834%0.34149%0.485SS..Hα-helixtrans-61.4-43.8174.9-169.7-159.2145.700111.6A360 R361 V362 E367 Q368A360-E364 PolarHBondContact O-N 3.02Å; R361-E364 WeakPolarHBondContact CD-OE2 3.46Å; R361-E364 IonicContact CZ-OE1 2.69Å; R361-E364 IonicContact CZ-OE2 4Å; R361-E364 IonicContact NE-OE2 2.68Å; R361-E364 IonicContact NH1-OE1 2.7Å; R361-E364 PolarHBondContact NH1-OE1 2.96Å; R361-E364 IonicContact NH1-OE2 3.08Å; R361-E364 PolarHBondContact NH1-OE2 3.44Å; R361-E364 IonicContact NH2-OE1 3.87Å; V362-E364 PolarHBondContact O-N 2.94Å; E364-E367 PolarHBondContact O-N 2.95Å; E364-Q368 WeakPolarHBondContact O-CB 3.28Å; E364-Q368 VanDerWaalsContact O-CG 3.28Å; E364-Q368 WeakPolarHBondContact O-CG 3.44Å; E364-Q368 PolarHBondContact O-N 2.96Å; E364-Q368 PolarHBondContact OE1-NE2 3.35Å
365L95.9Very high95.1Very high81 Ų8198.5 Ų98.542%0.42449%0.493SS..Hα-helixtrans-67.8-37.9176.2-71.7168.1000112.2R361 V362 Q368 C369R361-L365 HydrophobicContact CG-CD1 4.33Å; R361-L365 WeakPolarHBondContact O-CB 3.45Å; R361-L365 VanDerWaalsContact O-CG 3.25Å; R361-L365 WeakPolarHBondContact O-CG 3.23Å; R361-L365 PolarHBondContact O-N 3.36Å; V362-L365 PolarHBondContact O-N 3.03Å; L365-Q368 PolarHBondContact O-N 3.12Å; L365-C369 PolarHBondContact O-N 2.67Å; L365-C369 PolarHBondContact O-SG 3.17Å; L365-C369 VanDerWaalsContact O-SG 3.38Å
366E96Very high94.8Very high87 Ų87100.3 Ų100.341%0.40750%0.498SS..Hα-helixtrans-61.8-43.4171.5-77.5-177.8-147.500111.8V362 R363 C369 R370V362-E366 WeakPolarHBondContact O-CG 3.49Å; V362-E366 PolarHBondContact O-N 3.35Å; R363-E366 PolarHBondContact O-N 3Å; E366-C369 PolarHBondContact O-N 3.49Å; E366-R370 VanDerWaalsContact O-CG 3.23Å; E366-R370 WeakPolarHBondContact O-CG 3.3Å; E366-R370 PolarHBondContact O-N 2.79Å; E366-R370 IonicContact OE2-CZ 3.78Å; E366-R370 IonicContact OE2-NH2 2.68Å; E366-R370 PolarHBondContact OE2-NH2 2.76Å
367E95.8Very high94.4Very high134 Ų13498.6 Ų98.663%0.62649%0.493SS*.Hα-helixtrans-67.4-36.9178.2-171.6164.9-14200111.8R363 E364 R370 S371R363-E367 WeakPolarHBondContact O-CB 3.37Å; R363-E367 PolarHBondContact O-N 3.36Å; E364-E367 PolarHBondContact O-N 2.95Å; E367-R370 PolarHBondContact O-N 2.94Å; E367-S371 WeakPolarHBondContact O-CB 3.49Å; E367-S371 PolarHBondContact O-N 3.24Å; E367-S371 PolarHBondContact O-OG 2.96Å
368Q95.4Very high94.1Very high80 Ų8099.4 Ų99.437%0.37449%0.491SS..Hα-helixtrans-61.6-43.9168.4-73169.419.200111.8E364 L365 S371 Q372E364-Q368 WeakPolarHBondContact O-CB 3.28Å; E364-Q368 VanDerWaalsContact O-CG 3.28Å; E364-Q368 WeakPolarHBondContact O-CG 3.44Å; E364-Q368 PolarHBondContact O-N 2.96Å; E364-Q368 PolarHBondContact OE1-NE2 3.35Å; L365-Q368 PolarHBondContact O-N 3.12Å; Q368-S371 WeakPolarHBondContact CA-OG 3.41Å; Q368-S371 PolarHBondContact O-OG 2.99Å; Q368-S371 VanDerWaalsContact O-OG 3.05Å; Q368-Q372 WeakPolarHBondContact O-CB 3.42Å; Q368-Q372 WeakPolarHBondContact O-CG 3.48Å; Q368-Q372 PolarHBondContact O-N 3.25Å
369C92.9Very high93.6Very high76 Ų7697.5 Ų97.551%0.51448%0.483SS..Hα-helixtrans-66.7-36.7175.1-72.80000113.1L365 E366 T373L365-C369 PolarHBondContact O-N 2.67Å; L365-C369 PolarHBondContact O-SG 3.17Å; L365-C369 VanDerWaalsContact O-SG 3.38Å; E366-C369 PolarHBondContact O-N 3.49Å; C369-T373 WeakPolarHBondContact O-CB 3.33Å; C369-T373 PolarHBondContact O-N 3.2Å; C369-T373 PolarHBondContact O-OG1 3.01Å
370R94.1Very high93Very high144 Ų14496.5 Ų96.554%0.54349%0.487SS..Hα-helixtrans-65.4-52.3174.6-70.2169.6-150.3-170.76.4110.9E366 E367 Q372 T373 E374E366-R370 VanDerWaalsContact O-CG 3.23Å; E366-R370 WeakPolarHBondContact O-CG 3.3Å; E366-R370 PolarHBondContact O-N 2.79Å; E366-R370 IonicContact OE2-CZ 3.78Å; E366-R370 IonicContact OE2-NH2 2.68Å; E366-R370 PolarHBondContact OE2-NH2 2.76Å; E367-R370 PolarHBondContact O-N 2.94Å; R370-Q372 VanDerWaalsContact C-N 3.32Å; R370-Q372 PolarHBondContact O-N 3.47Å; R370-T373 CarbonylContact O-C 3.6Å; R370-T373 WeakPolarHBondContact O-CA 3.49Å; R370-T373 WeakPolarHBondContact O-CB 3.37Å; R370-T373 PolarHBondContact O-N 3.28Å; R370-E374 WeakPolarHBondContact O-CG 3.48Å; R370-E374 PolarHBondContact O-N 3.39Å
371S91.7Very high92.5Very high44 Ų44100.3 Ų100.331%0.30850%0.496SS..Hα-helixtrans-61.7-35.8178.354.30000113.1E367 Q368 E374 Q375E367-S371 WeakPolarHBondContact O-CB 3.49Å; E367-S371 PolarHBondContact O-N 3.24Å; E367-S371 PolarHBondContact O-OG 2.96Å; Q368-S371 WeakPolarHBondContact CA-OG 3.41Å; Q368-S371 PolarHBondContact O-OG 2.99Å; Q368-S371 VanDerWaalsContact O-OG 3.05Å; S371-E374 PolarHBondContact O-N 3.22Å; S371-Q375 WeakPolarHBondContact O-CB 3.19Å; S371-Q375 VanDerWaalsContact O-CG 3.26Å; S371-Q375 WeakPolarHBondContact O-CG 3.44Å; S371-Q375 PolarHBondContact O-N 3Å
372Q91.6Very high91.8Very high104 Ų10499.6 Ų99.649%0.48650%0.498SS..Hα-helixtrans-65.2-41.1169-75.8-176.56.100112.2Q368 R370 E374 Q375 F376Q368-Q372 WeakPolarHBondContact O-CB 3.42Å; Q368-Q372 WeakPolarHBondContact O-CG 3.48Å; Q368-Q372 PolarHBondContact O-N 3.25Å; R370-Q372 VanDerWaalsContact C-N 3.32Å; R370-Q372 PolarHBondContact O-N 3.47Å; Q372-E374 VanDerWaalsContact C-N 3.32Å; Q372-E374 PolarHBondContact O-N 2.95Å; Q372-Q375 PolarHBondContact O-N 2.67Å; Q372-F376 HydrophobicContact CB-CE2 4.42Å; Q372-F376 WeakPolarHBondContact O-CD2 3.31Å; Q372-F376 WeakPolarHBondContact O-CG 3.12Å; Q372-F376 PolarHBondContact O-N 3.16Å
373T92.9Very high90.9Very high94 Ų94100.4 Ų100.458%0.57750%0.499SS*.Hα-helixtrans-63.2-39.2175.8-56.60000111.4C369 R370 F376 S377C369-T373 WeakPolarHBondContact O-CB 3.33Å; C369-T373 PolarHBondContact O-N 3.2Å; C369-T373 PolarHBondContact O-OG1 3.01Å; R370-T373 CarbonylContact O-C 3.6Å; R370-T373 WeakPolarHBondContact O-CA 3.49Å; R370-T373 WeakPolarHBondContact O-CB 3.37Å; R370-T373 PolarHBondContact O-N 3.28Å; T373-F376 PolarHBondContact O-N 3.08Å; T373-S377 WeakPolarHBondContact O-CB 3.44Å; T373-S377 PolarHBondContact O-N 3.31Å
374E92.7Very high90Very high121 Ų12198.4 Ų98.457%0.56550%0.497SS*.Hα-helixtrans-64.2-46.1173.4-72167.7-173.100111.2R370 S371 Q372 F376 S377 L378R370-E374 WeakPolarHBondContact O-CG 3.48Å; R370-E374 PolarHBondContact O-N 3.39Å; S371-E374 PolarHBondContact O-N 3.22Å; Q372-E374 VanDerWaalsContact C-N 3.32Å; Q372-E374 PolarHBondContact O-N 2.95Å; E374-F376 PolarHBondContact O-N 3.5Å; E374-S377 WeakPolarHBondContact CA-OG 3.47Å; E374-S377 CarbonylContact O-C 3.57Å; E374-S377 WeakPolarHBondContact O-CA 3.37Å; E374-S377 WeakPolarHBondContact O-CB 3.32Å; E374-S377 PolarHBondContact O-N 3.49Å; E374-S377 PolarHBondContact O-OG 3.01Å; E374-L378 WeakPolarHBondContact O-CG 3.29Å; E374-L378 PolarHBondContact O-N 3.09Å
375Q91Very high88.8Confident125 Ų12596.9 Ų96.958%0.58450%0.497SS*.Hα-helixtrans-58.6-44.1172.9-73.8168.511.600112.2S371 Q372 S377 L378 L379S371-Q375 WeakPolarHBondContact O-CB 3.19Å; S371-Q375 VanDerWaalsContact O-CG 3.26Å; S371-Q375 WeakPolarHBondContact O-CG 3.44Å; S371-Q375 PolarHBondContact O-N 3Å; Q372-Q375 PolarHBondContact O-N 2.67Å; Q375-S377 VanDerWaalsContact C-N 3.3Å; Q375-S377 PolarHBondContact O-N 3Å; Q375-L378 PolarHBondContact O-N 3.32Å; Q375-L379 VanDerWaalsContact O-CB 3.31Å; Q375-L379 WeakPolarHBondContact O-CB 3.47Å; Q375-L379 PolarHBondContact O-N 3.47Å
376F91Very high87.2Confident137 Ų137100.6 Ų100.660%0.60151%0.51SS*.Hα-helixtrans-64.4-33.5173.2-74.2-57.6000112.3Q372 T373 E374 A380Q372-F376 HydrophobicContact CB-CE2 4.42Å; Q372-F376 WeakPolarHBondContact O-CD2 3.31Å; Q372-F376 WeakPolarHBondContact O-CG 3.12Å; Q372-F376 PolarHBondContact O-N 3.16Å; T373-F376 PolarHBondContact O-N 3.08Å; E374-F376 PolarHBondContact O-N 3.5Å; F376-A380 WeakPolarHBondContact O-CB 3.17Å; F376-A380 PolarHBondContact O-N 3.4Å
377S89.9Confident85.8Confident65 Ų65106 Ų10646%0.45553%0.526SS..Hα-helixtrans-70.6-39.5176.280.90000112.5T373 E374 Q375 A380 Q381T373-S377 WeakPolarHBondContact O-CB 3.44Å; T373-S377 PolarHBondContact O-N 3.31Å; E374-S377 WeakPolarHBondContact CA-OG 3.47Å; E374-S377 CarbonylContact O-C 3.57Å; E374-S377 WeakPolarHBondContact O-CA 3.37Å; E374-S377 WeakPolarHBondContact O-CB 3.32Å; E374-S377 PolarHBondContact O-N 3.49Å; E374-S377 PolarHBondContact O-OG 3.01Å; Q375-S377 VanDerWaalsContact C-N 3.3Å; Q375-S377 PolarHBondContact O-N 3Å; S377-A380 PolarHBondContact O-N 3.03Å; S377-Q381 WeakPolarHBondContact O-CB 3.49Å; S377-Q381 PolarHBondContact O-N 3.03Å
378L89.4Confident84Confident97 Ų97106.1 Ų106.151%0.50853%0.53SS..Hα-helixtrans-65.8-47.5173.5-70170.6000110.5E374 Q375 A380 Q381 E382E374-L378 WeakPolarHBondContact O-CG 3.29Å; E374-L378 PolarHBondContact O-N 3.09Å; Q375-L378 PolarHBondContact O-N 3.32Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.06Å; L378-Q381 CarbonylContact O-C 3.51Å; L378-Q381 WeakPolarHBondContact O-CA 3.48Å; L378-Q381 WeakPolarHBondContact O-CB 3.36Å; L378-Q381 PolarHBondContact O-N 2.83Å; L378-E382 WeakPolarHBondContact O-CG 3.29Å; L378-E382 PolarHBondContact O-N 3.42Å
379L85.4Confident81.6Confident88 Ų88109.2 Ų109.246%0.46155%0.545SS..Hα-helixtrans-61-38.1175.6-168.375.8000111.8Q375 E382 L383Q375-L379 VanDerWaalsContact O-CB 3.31Å; Q375-L379 WeakPolarHBondContact O-CB 3.47Å; Q375-L379 PolarHBondContact O-N 3.47Å; L379-E382 PolarHBondContact O-N 2.96Å; L379-L383 HydrophobicContact CG-CD1 4.36Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.22Å; L379-L383 WeakPolarHBondContact O-CG 3.36Å; L379-L383 PolarHBondContact O-N 3.14Å
380A85.4Confident79.4Confident54 Ų54112.1 Ų112.145%0.44656%0.563SS.*Hα-helixtrans-66.5-37.3173.200000112F376 S377 L378 L383 Q384F376-A380 WeakPolarHBondContact O-CB 3.17Å; F376-A380 PolarHBondContact O-N 3.4Å; S377-A380 PolarHBondContact O-N 3.03Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.06Å; A380-L383 PolarHBondContact O-N 2.85Å; A380-Q384 VanDerWaalsContact O-CB 3.31Å; A380-Q384 WeakPolarHBondContact O-CB 3.43Å; A380-Q384 PolarHBondContact O-N 3.33Å
381Q84.1Confident76.8Confident135 Ų135108.3 Ų108.363%0.63157%0.568SS**Hα-helixtrans-69.6-37.8175.4-168.3173.319.400112.1S377 L378 Q384 A385S377-Q381 WeakPolarHBondContact O-CB 3.49Å; S377-Q381 PolarHBondContact O-N 3.03Å; L378-Q381 CarbonylContact O-C 3.51Å; L378-Q381 WeakPolarHBondContact O-CA 3.48Å; L378-Q381 WeakPolarHBondContact O-CB 3.36Å; L378-Q381 PolarHBondContact O-N 2.83Å; Q381-Q384 WeakPolarHBondContact O-CB 3.39Å; Q381-Q384 PolarHBondContact O-N 2.87Å; Q381-A385 WeakPolarHBondContact O-CB 3.42Å; Q381-A385 PolarHBondContact O-N 3.34Å
382E82.8Confident74.7Confident115 Ų115112.9 Ų112.954%0.53760%0.597SS.*Hα-helixtrans-63.8-47.2170.4-72.7179.8167.600111.2L378 L379 Q384 A385 F386L378-E382 WeakPolarHBondContact O-CG 3.29Å; L378-E382 PolarHBondContact O-N 3.42Å; L379-E382 PolarHBondContact O-N 2.96Å; E382-Q384 VanDerWaalsContact C-N 3.25Å; E382-Q384 PolarHBondContact O-N 3.09Å; E382-A385 CarbonylContact O-C 3.53Å; E382-A385 WeakPolarHBondContact O-CA 3.42Å; E382-A385 WeakPolarHBondContact O-CB 3.34Å; E382-A385 PolarHBondContact O-N 2.83Å; E382-F386 VanDerWaalsContact O-CD2 3.31Å; E382-F386 WeakPolarHBondContact O-CD2 3.31Å; E382-F386 PolarHBondContact O-N 3.36Å
383L78.3Confident72.7Confident94 Ų94115.6 Ų115.649%0.49261%0.614SS.*Hα-helixtrans-62.9-31.2174.7-72.3168.5000112.5L379 A380 R387L379-L383 HydrophobicContact CG-CD1 4.36Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.22Å; L379-L383 WeakPolarHBondContact O-CG 3.36Å; L379-L383 PolarHBondContact O-N 3.14Å; A380-L383 PolarHBondContact O-N 2.85Å; L383-R387 WeakPolarHBondContact O-CG 3.37Å; L383-R387 PolarHBondContact O-N 2.87Å
384Q77.6Confident70.2Confident119 Ų119118 Ų11856%0.55662%0.623SS**Hα-helixtrans-69.6-40.2171-16688.9-5.800111.1A380 Q381 E382 R387 L388A380-Q384 VanDerWaalsContact O-CB 3.31Å; A380-Q384 WeakPolarHBondContact O-CB 3.43Å; A380-Q384 PolarHBondContact O-N 3.33Å; Q381-Q384 WeakPolarHBondContact O-CB 3.39Å; Q381-Q384 PolarHBondContact O-N 2.87Å; E382-Q384 VanDerWaalsContact C-N 3.25Å; E382-Q384 PolarHBondContact O-N 3.09Å; Q384-R387 WeakPolarHBondContact O-CB 3.26Å; Q384-R387 PolarHBondContact O-N 3.49Å; Q384-L388 WeakPolarHBondContact O-CG 3.42Å; Q384-L388 PolarHBondContact O-N 3.14Å
385A71.4Confident67.8Low41 Ų41120.7 Ų120.734%0.33964%0.64SS.*Hα-helixtrans-67-43.3175.600000112Q381 E382 R387 L388 H389Q381-A385 WeakPolarHBondContact O-CB 3.42Å; Q381-A385 PolarHBondContact O-N 3.34Å; E382-A385 CarbonylContact O-C 3.53Å; E382-A385 WeakPolarHBondContact O-CA 3.42Å; E382-A385 WeakPolarHBondContact O-CB 3.34Å; E382-A385 PolarHBondContact O-N 2.83Å; A385-R387 PolarHBondContact O-N 2.85Å; A385-L388 CarbonylContact O-C 3.58Å; A385-L388 WeakPolarHBondContact O-CA 3.36Å; A385-L388 PolarHBondContact O-N 3.45Å; A385-H389 PolarHBondContact O-CD2 3.18Å; A385-H389 VanDerWaalsContact O-CD2 3.23Å; A385-H389 PolarHBondContact O-N 3.39Å
386F61.3Low65.4Low158 Ų158122 Ų12269%0.69365%0.651SS**Hα-helixtrans-56.5-36.9171-88.1-72.2000112E382 L388 H389E382-F386 VanDerWaalsContact O-CD2 3.31Å; E382-F386 WeakPolarHBondContact O-CD2 3.31Å; E382-F386 PolarHBondContact O-N 3.36Å; F386-L388 PolarHBondContact O-N 2.9Å; F386-H389 PolarHBondContact O-N 2.91Å
387R67.2Low62.6Low201 Ų201121.4 Ų121.476%0.75866%0.658SS**THydrogen-bonded Turntrans-71.1-13.3173.2-76.5173.8173.9143.10.5114.6L383 Q384 A385L383-R387 WeakPolarHBondContact O-CG 3.37Å; L383-R387 PolarHBondContact O-N 2.87Å; Q384-R387 WeakPolarHBondContact O-CB 3.26Å; Q384-R387 PolarHBondContact O-N 3.49Å; A385-R387 PolarHBondContact O-N 2.85Å
388L59Low60.1Low136 Ų136123.8 Ų123.871%0.71268%0.675SS**THydrogen-bonded Turntrans-102.2-0.3175.9-66.7169.5000112.9Q384 A385 F386 P390Q384-L388 WeakPolarHBondContact O-CG 3.42Å; Q384-L388 PolarHBondContact O-N 3.14Å; A385-L388 CarbonylContact O-C 3.58Å; A385-L388 WeakPolarHBondContact O-CA 3.36Å; A385-L388 PolarHBondContact O-N 3.45Å; F386-L388 PolarHBondContact O-N 2.9Å; L388-P390 VanDerWaalsContact O-CD 3.25Å; L388-P390 WeakPolarHBondContact O-CD 3.43Å
389H45Very low57.4Low146 Ų146123.1 Ų123.168%0.67668%0.684SS**  trans-106.298.3176.1-81.4-68.1000112.5A385 F386 G391A385-H389 PolarHBondContact O-CD2 3.18Å; A385-H389 VanDerWaalsContact O-CD2 3.23Å; A385-H389 PolarHBondContact O-N 3.39Å; F386-H389 PolarHBondContact O-N 2.91Å; H389-G391 PolarHBondContact O-N 3.48Å
390P46.1Very low55.2Low137 Ų137126.9 Ų126.989%0.8970%0.703SS**  trans-82.4103.916731.7-31.5000110.7L388L388-P390 VanDerWaalsContact O-CD 3.25Å; L388-P390 WeakPolarHBondContact O-CD 3.43Å
391G38.9Very low52.6Low64 Ų64130.8 Ų130.866%0.6672%0.717SS**  trans-151.7151.2175.600000113.1H389H389-G391 PolarHBondContact O-N 3.48Å
392P47.8Very low50.1Low140 Ų140130.6 Ų130.691%0.90973%0.729SS**  trans-88.2177.1-164.7-10.330.7000116
393L49.7Very low47.7Very low160 Ų160128.4 Ų128.484%0.83874%0.737SS**  trans-79.3173.6-170.1-79163.9000116.5
394D40.7Very low45.6Very low145 Ų145129.4 Ų129.478%0.77575%0.752SS**  trans78.3117.4156.1-64.1-19.1000120.5
395L42.1Very low43.5Very low177 Ų177131.6 Ų131.693%0.92777%0.767SS**  -157.3148.1127.3-109.7164.2000110.8
396L41.3Very low41.8Very low153 Ų153133.2 Ų133.280%0.80179%0.788SS**  trans-111.5148.2-173.2-85.5169000112.5
397T32.1Very low40.5Very low124 Ų124133.1 Ų133.176%0.76179%0.794SS**  trans59.1115.9150-52.90000119.2
398S37.3Very low38.8Very low116 Ų116129.2 Ų129.281%0.81180%0.796SS**  -174129.3120.7-82.30000115.4
399A32.5Very low38.1Very low83 Ų83128.4 Ų128.469%0.68680%0.799SS**  trans15.7129.7150.700000122.7
400L39.8Very low38.4Very low166 Ų166127 Ų12787%0.86980%0.803SS**  168.8140.8110.8-85166.5000106.8
401D29.7Very low39.2Very low136 Ų136125.9 Ų125.973%0.72780%0.796SS**  cis144.4147.1-9.9-116.4-44.2000107.5
402C32.1Very low39.3Very low131 Ų131128.4 Ų128.489%0.88580%0.801SS**  trans61.2134.9178.9-610000117.6
403G32.4Very low39Very low70 Ų70127.8 Ų127.872%0.72280%0.798SS**  cis-155.7158.9-8.200000109.4
404S33.4Very low38.1Very low114 Ų114126.3 Ų126.380%0.79780%0.8SS**  cis96.9143.242.5-162.50000113.1
405L34.5Very low37.8Very low166 Ų166124.7 Ų124.787%0.86980%0.799SS**  trans71.8138.4-178.3-9665.2000119.1
406G33.9Very low37.2Very low75 Ų75121.7 Ų121.777%0.77379%0.792SS**  trans151.177.2175.600000113.7
407D33.8Very low37.2Very low156 Ų156121.9 Ų121.983%0.83479%0.793SS**  trans-72158.6-171.7-69.1-86000116.9
408C33.1Very low37.4Very low118 Ų118122 Ų12280%0.79780%0.795SS**  trans-56.7165.6155-66.90000111.5
409P43.8Very low37.2Very low120 Ų120124.6 Ų124.678%0.77979%0.794SS**  cis-142.4-162.33444.7-22.7000113.4
410P51.3Low38.7Very low116 Ų116125.3 Ų125.375%0.75379%0.792SS**  trans-100.8-153-164.945.1-39000113.8
411P61.8Low38.2Very low113 Ų113122.5 Ų122.573%0.73479%0.785SS**  -90.3177.5-128.843.1-30.5000114.8
412P41.8Very low38.3Very low118 Ų118127.1 Ų127.177%0.76679%0.792SS**  trans-122.9125.9150.234.6-22.8000113
413C42.4Very low38.2Very low127 Ų127124.4 Ų124.486%0.85879%0.787SS**  trans-69.7142.4145.9-65.60000108.1
414C30.9Very low38.4Very low128 Ų128127.2 Ų127.287%0.86580%0.795SS**  trans-146.4111.4158.2-139.20000111.8
415C33.7Very low38.6Very low112 Ų112125.2 Ų125.276%0.75779%0.793SS**  trans-69.1160.9163-48.40000109.5
416S29.5Very low39.5Very low113 Ų113122.8 Ų122.879%0.7979%0.787SS**  179.7139.4119.2-80.60000113.2
417I41Very low40Very low158 Ų158127.5 Ų127.581%0.8179%0.786SS**  trans-82.3142.1157.5-66.7163.8000107.8
418P36.1Very low40Very low125 Ų125126.2 Ų126.281%0.81278%0.779SS**  trans-126.9106.3145.816.34.1000112
419Q33.7Very low40.3Very low171 Ų171127.6 Ų127.680%0.79978%0.778SS**  trans-86.2171142.1-96.4-144.4-1.100108.4
420P62.8Low40.2Very low98 Ų98127.8 Ų127.864%0.63677%0.772SS**  cis-133.1-173.6-43.338.6-23.5000109.9
421C30Very low39.7Very low107 Ų107129.3 Ų129.372%0.72377%0.773SS**  trans-176.4145.6131.9-101.80000116.2
422R31.5Very low39.4Very low233 Ų233129.2 Ų129.288%0.87977%0.773SS**  trans9.9129.7135.6-52.4166.6-173.5-99.40.5116.8
423G31Very low40.4Very low74 Ų74129.2 Ų129.276%0.76377%0.773SS**  cis99.3121.92.500000114.4
424S36.5Very low40Very low130 Ų130126.8 Ų126.891%0.90977%0.769SS**  trans-148138.7171.6-67.30000109.2
425G36.9Very low40Very low72 Ų72124.1 Ų124.174%0.74276%0.763SS**  trans-100-134.3178.900000112.7
426P54.6Low39.9Very low114 Ų114124.7 Ų124.774%0.7477%0.768SS**  cis-146.8-174.82.943.1-23.5000116.8
427K43.1Very low41.2Very low175 Ų175124.9 Ų124.976%0.76177%0.767SS**  trans75.9139.9159.7-62.5-170.6170.2-158.20118.1
428D33.9Very low40.8Very low128 Ų128125 Ų12568%0.68476%0.764SS**  cis-156.8169.7-9.4-92.1-26000105.7
429L39.8Very low40.6Very low148 Ų148127.7 Ų127.778%0.77576%0.763SS**  cis-153.9-153.913.1-134.7170.3000109.7
430D41Very low40.8Very low123 Ų123125 Ų12566%0.65876%0.76SS**  trans-117.9153.6-161.7-74.8-68.2000114.5
431L42Very low39.9Very low148 Ų148126.7 Ų126.778%0.77577%0.772SS**  73.116453.6-76.8174.9000114.2
432P55.3Low39.9Very low112 Ų112127.2 Ų127.273%0.72778%0.776SS**  cis-130.9-166.56.644.3-28.4000114.8
433P61.8Low39.9Very low118 Ų118127.6 Ų127.677%0.76678%0.778SS**  cis-116.9-156.2-2139.7-21.9000110.9
434G35.6Very low40Very low76 Ų76136.1 Ų136.178%0.78479%0.787SS**  cis107.2128.3-5.200000115.8
435G29.7Very low39.8Very low72 Ų72141.4 Ų141.474%0.74279%0.787SS**  cis164.3166.7-11.100000114.8
436S32.3Very low40.4Very low123 Ų123143.4 Ų143.486%0.8679%0.787SS**  trans78.1163.6160.9-58.70000121.2
437P56.4Low39.5Very low118 Ų118144.1 Ų144.177%0.76679%0.792SS**  cis-142.9-179.2-42.440.8-23.8000115.9
438E31.8Very low39Very low160 Ų160142.4 Ų142.475%0.74879%0.791SS**  trans137.8177.5152.6-79.4-93.368.800115.9
439K33Very low39.3Very low182 Ų182142.1 Ų142.179%0.79180%0.796SS**  trans-108.4-153.8-150.8-52.5166.1-174.4151.60115.6
440P38.8Very low39.1Very low113 Ų113144.6 Ų144.673%0.73480%0.795SS**  -121.9165.4-114.938.9-20.1000116.2
441P42Very low38.8Very low135 Ų135144.5 Ų144.588%0.87779%0.791SS**  trans-84.6136.5169.933.3-32.1000112.1
442S29.9Very low38.3Very low117 Ų117145.6 Ų145.682%0.81879%0.791SS**  trans-118.4145.6174.763.10000112.8
443R33.3Very low37.1Very low241 Ų241146.1 Ų146.191%0.90980%0.796SS**  trans-3.5124.4173.4-67.4177.1170-173.2-2.5118.3
444R31.6Very low35.9Very low253 Ų253145.8 Ų145.896%0.95580%0.797SS**  -136.3151.9124.4-73.2-162.1178.9-100.4-3.6110.8
445R33.7Very low35.8Very low241 Ų241153.6 Ų153.691%0.90980%0.802SS**  trans-98.6162.5170.3-95.9-174.1-176.3165.70.4109.8
446P47.9Very low35.9Very low115 Ų115158.1 Ų158.175%0.74781%0.809SS**  trans-83169.1-177.436.1-38.1000113.2
447P36.1Very low35.9Very low129 Ų129160 Ų16084%0.83881%0.808SS**  trans-104.4164.5150.536.8-28.3000112.7
448D34.1Very low34.7Very low139 Ų139160 Ų16074%0.74381%0.811SS**  trans-105.6147.3-168.8-171.441.2000111.6R450D448-R450 PolarHBondContact O-N 2.92Å
449P38.4Very low34.7Very low122 Ų122159.3 Ų159.379%0.79281%0.813SS**  trans-93.682-175.435.1-32.7000114.4
450R36.1Very low34.5Very low200 Ų200158.7 Ų158.776%0.75582%0.818SS**  trans-142.5142.1158.2-82.1-175.7169.7-127.43.2107.4D448D448-R450 PolarHBondContact O-N 2.92Å
451E35.7Very low33.9Very low121 Ų121156.5 Ų156.557%0.56582%0.816SS**  cis-156.5173.112.4-119.9157.3-148.800110.7
452H31.3Very low34.7Very low171 Ų171156.1 Ų156.179%0.79281%0.814SS**  trans68156.9174.2-50.7-61.1000116.4
453C30.2Very low34.8Very low123 Ų123159.8 Ų159.883%0.83182%0.818SS**  cis-122.6179.710.1-75.80000113.4
454S36.2Very low34.5Very low111 Ų111151.8 Ų151.878%0.77680%0.803SS**  trans-152.6162167.1-690000110.7
455R33.9Very low34.3Very low239 Ų239146.3 Ų146.390%0.90280%0.803SS**  trans75.8150.3-176-44.5176.6-174-157.9-0.2112.5
456L31Very low34Very low168 Ų168138.5 Ų138.588%0.8880%0.798SS**  cis-129.1167.916-77.5162.6000113.5
457L33.3Very low33.1Very low162 Ų162143.8 Ų143.885%0.84880%0.803SS**  trans-97.6146.9166.5-67.3162.1000110.2
458S29.7Very low32.7Very low118 Ų118144.6 Ų144.683%0.82580%0.799SS**  164.2146.9123.5-74.90000114.5
459N32.5Very low32.3Very low145 Ų145141.2 Ų141.278%0.77580%0.797SS**  trans-41.8151.9174.1-47.7-15.8000115.9
460N28.3Very low32.6Very low170 Ų170141 Ų14191%0.90980%0.796SS**  -167.2165106.9-102.9-62.2000113.5
461G26.4Very low32.2Very low67 Ų67136.9 Ų136.969%0.69179%0.793SS**  trans-97.7-152.8-172.300000115.9
462P60.3Low32Very low127 Ų127141.1 Ų141.183%0.82580%0.804SS**  trans-123.5162.3-132.941.4-30.5000116.2
463Q30Very low31.9Very low194 Ų194139.3 Ų139.391%0.90780%0.796SS**  trans168.5166.6151.7-94.4-152.346.300108.5
464A27.1Very low31.8Very low73 Ų73144.4 Ų144.460%0.60380%0.798SS**  cis-174.8168.6-31.900000109.3
465S29.1Very low31.4Very low137 Ų137142.7 Ų142.796%0.95880%0.798SS**  trans72.2157.9164-156.30000118.6
466G27.3Very low31Very low77 Ų77135.2 Ų135.279%0.79480%0.795SS**  trans135.397.8177.200000114.2
467R27.9Very low31Very low227 Ų227135.4 Ų135.486%0.85780%0.796SS**  trans-111.3158.5-170.6-161.4-170.6-164.2-119.97.7112.4
468L27.6Very low31.8Very low145 Ų145133 Ų13376%0.75979%0.791SS**  trans97.1139.2159.5-55.7170.6000118.8
469G25.6Very low31.6Very low68 Ų68133.8 Ų133.870%0.70179%0.79SS**  trans-96.9-148159.200000111.3
470P45.9Very low31.7Very low118 Ų118134.3 Ų134.377%0.76679%0.791SS**  cis-148.6-152.332.741.1-17.8000115.8
471T26.4Very low31.6Very low114 Ų114135.5 Ų135.570%0.69979%0.791SS**  trans86.7113.8152.436.40000123.7
472R31.3Very low31.7Very low210 Ų210135.6 Ų135.679%0.79279%0.792SS**  65.3150.3124-80.8-171.3136.5157.7-3.8121.2
473E30.9Very low31.2Very low132 Ų132135 Ų13562%0.61779%0.789SS**  cis-168.3-175.3-17.9-149.1-174.9-110.200109.4
474R27.9Very low31.2Very low230 Ų230136.8 Ų136.887%0.86879%0.787SS**  trans83.3132.3162.1-165.7171.2-67.4-130.7-4.8116.8
475G27.4Very low31.2Very low76 Ų76140.4 Ų140.478%0.78480%0.802SS**  trans-142.9-164.5177.500000112.3
476G25.1Very low31.3Very low82 Ų82136.7 Ų136.785%0.84579%0.785SS**  trans-171125.817800000114.5
477L31.1Very low31.5Very low171 Ų171141 Ų14190%0.89579%0.789SS**  trans-82.2164155.6-82.1171.4000108.1
478P50.9Low31.6Very low113 Ų113138.4 Ų138.473%0.73479%0.787SS**  -159.9-165.166.737.2-10.7000118.5
479V25.9Very low31.9Very low133 Ų133135 Ų13581%0.80678%0.78SS**  trans111.2134.6152.3-169.30000117.1
480I32.7Very low32.1Very low156 Ų156138 Ų13880%0.879%0.789SS**  trans-134.5138.9176.6-66.3163.1000106.5
481E27.8Very low31.4Very low195 Ų195135.8 Ų135.891%0.91179%0.788SS**  trans-171.3167.6145.5-110.7169.3-170.300112.5
482G27.8Very low31.7Very low69 Ų69142.8 Ų142.871%0.71180%0.802SS**  trans-109.1-132.4178.800000112.2
483P48.9Very low31.5Very low116 Ų116136.6 Ų136.675%0.75380%0.803SS**  cis-145.8175.6-17.242.6-25.1000116.4
484R30.8Very low31.6Very low230 Ų230140.9 Ų140.987%0.86881%0.814SS**  trans71.8156.2144.8-84176.4176.3-178.9-0.2124
485T26.8Very low31.7Very low149 Ų149137.2 Ų137.291%0.91481%0.81SS**  trans68.7145.9164.748.20000119.3
486G30.7Very low31.8Very low59 Ų59136.6 Ų136.661%0.60880%0.804SS**  cis173.9-176.8-4.800000114.7
487L31.4Very low33Very low168 Ų168138.5 Ų138.588%0.8880%0.801SS**  trans75128.3179.2-62.4111000116.8
488E31.3Very low33Very low173 Ų173135 Ų13581%0.80879%0.792SS**  82.5140.150.3-74.2-69.6157.600113.2
489A34Very low32.1Very low74 Ų74140.8 Ų140.861%0.61280%0.799SS**  cis-156.6169.114.700000116.1
490S29.5Very low32.2Very low129 Ų129146 Ų14690%0.90280%0.804SS**  trans72150.5146.3-69.50000122.4
491G31.1Very low31.9Very low72 Ų72144.3 Ų144.374%0.74280%0.804SS**  trans-171.4-52.1174.200000117.4
492R32.7Very low32Very low262 Ų262140.2 Ų140.299%0.98980%0.797SS**  trans68.4151.3-178.3-53-177.7-178-88.90.4117.7
493G28Very low32Very low79 Ų79148.7 Ų148.781%0.81481%0.808SS**  trans148.2118.1166.600000113
494R31Very low31Very low223 Ų223146.6 Ų146.684%0.84281%0.807SS**  trans-161.3145.7-174.9-145.9-168.2-167.2-116.25.4113.2
495L30.1Very low31Very low152 Ų152147.6 Ų147.680%0.79681%0.811SS**  trans68158170.5-49.1175.3000114.4
496G30.1Very low30.9Very low63 Ų63144.2 Ų144.265%0.64980%0.798SS**  cis-164.7-163.49.800000113.6
497P51.2Low30.7Very low122 Ų122149.4 Ų149.479%0.79281%0.811SS**  -138.9175.2-110.942.6-27.4000118
498S30.3Very low31.1Very low99 Ų99149.5 Ų149.569%0.69281%0.807SS**  trans78114.4143.7-152.30000120
499R32.2Very low31.7Very low234 Ų234147 Ų14788%0.88381%0.806SS**  167116.598.5-86.9-175-172.8-100.5-0.1112.9
500R28.3Very low31.5Very low243 Ų243146.8 Ų146.892%0.91781%0.811SS**  166.5120.9115.3-171.6175.1-59.9-110.64110.4
501C25.5Very low31.7Very low119 Ų119148.8 Ų148.880%0.80481%0.81SS**  trans-112.9157.4175.8-51.60000110.6
502S30Very low31.6Very low110 Ų110149.4 Ų149.477%0.76981%0.808SS**  179.9137.812139.50000113.2
503R29.3Very low31.5Very low247 Ų247142.1 Ų142.193%0.93280%0.798SS**  trans62.2124.8169.7-62179.3174.5-166.5-3.6116.2
504G27.7Very low31.5Very low71 Ų71143.3 Ų143.373%0.73279%0.792SS**  cis83.4112.7500000112.1
505R29.9Very low31.6Very low252 Ų252140 Ų14095%0.95179%0.791SS**  -157.5179.861.9-91.4-180154.1-130.52.1110.7
506A25.1Very low31.6Very low77 Ų77137.9 Ų137.964%0.63679%0.788SS**  cis-178127.3-37.800000111.1
507L27.1Very low32.4Very low169 Ų169139.9 Ų139.989%0.88579%0.79SS**  trans26.2135.4146.5-71160.4000124
508E38.5Very low31.4Very low169 Ų169143.9 Ų143.979%0.7980%0.795SS**  trans-30.9164.5141.1-57-63.911900116.5
509P45.3Very low31.4Very low122 Ų122145.1 Ų145.179%0.79280%0.802SS**  -153160.4109.838.6-22.4000117.9
510G28.7Very low31.5Very low69 Ų69142 Ų14271%0.71180%0.802SS**  trans158.452.516400000115.9
511L33.3Very low31.7Very low170 Ų170138.9 Ų138.989%0.8980%0.798SS**  62.3131.3103.1-59.6177.4000115
512A29.7Very low32.2Very low86 Ų86140.3 Ų140.371%0.71180%0.796SS**  cis-148.6149.619.300000111.9
513S29.6Very low32.2Very low109 Ų109140.3 Ų140.376%0.76280%0.796SS**  69.8126.896.3-167.40000115.4
514C29.6Very low32.6Very low103 Ų103136.1 Ų136.170%0.69679%0.79SS**  cis-165.3152.5-0.7-114.90000113.8
515L31.8Very low32.7Very low155 Ų155141.2 Ų141.281%0.81280%0.795SS**  trans54.196143.6-56.3170.3000122.6
516S30Very low32.9Very low107 Ų107140 Ų14075%0.74879%0.792SS**  27.9151101.6-167.30000120.7
517P47.8Very low33.4Very low105 Ų105142.5 Ų142.568%0.68280%0.795SS**  cis-140.1162.4-26.636.2-19.3000115.9
518K30.6Very low33.9Very low206 Ų206138.2 Ų138.290%0.89678%0.779SS**  178165.1126.5-102.2172.2-177.8179.80113.1
519C29.1Very low33.7Very low124 Ų124138.6 Ų138.684%0.83878%0.781SS**  trans-71.4149.3-175.3-360000113.2
520L34.2Very low33.1Very low168 Ų168140.6 Ų140.688%0.8879%0.785SS**  -157.8151.5128.5-111.3167.2000110.8
521E33.2Very low33.8Very low178 Ų178145.4 Ų145.483%0.83279%0.789SS**  trans-106.9134.8-177.1173.3176.5-141.200107.6
522I34.9Very low33.7Very low149 Ų149146.8 Ų146.876%0.76479%0.791SS**  trans-141114.2-178.5-54.2-179.3000109.9
523S30.1Very low33.9Very low111 Ų111151.6 Ų151.678%0.77680%0.798SS**  trans-75151.5167.8-470000111.1
524I37.9Very low34Very low158 Ų158151.1 Ų151.181%0.8180%0.801SS**  trans-136.1102.5165.4-44178.1000109.1
525E31.3Very low33.9Very low178 Ų178149.7 Ų149.783%0.83280%0.804SS**  trans-89151.1158.1-60.4169.4157.600107.7
526Y32.9Very low33.6Very low227 Ų227148.7 Ų148.789%0.8981%0.81SS**  trans-160.4153.8156.1-131.1-87000112.6
527D36.5Very low33.4Very low129 Ų129147.2 Ų147.269%0.6981%0.811SS**  trans-153166.5-172.5-152.345.1000107.4
528S36Very low32.3Very low80 Ų80145.7 Ų145.756%0.55982%0.815SS**  cis-147-179.120.5-51.80000112.1
529E34.7Very low32.2Very low177 Ų177144.1 Ų144.183%0.82782%0.815SS**  trans15.6129.7139.8-59.8173.3153.100119.8
530D33.2Very low32.1Very low164 Ų164143.6 Ų143.688%0.87781%0.812SS**  -170.8162.1111-125.9-32.8000113.4
531E42.8Very low31.9Very low169 Ų169143.5 Ų143.579%0.7981%0.811SS**  trans-107.9150.1-179.7-61.9-168.8134.200114.3
532Q31.4Very low31.6Very low199 Ų199141.1 Ų141.193%0.9381%0.809SS**  trans-172166132-112.4147.310200117.3
533E33.7Very low31.2Very low187 Ų187139.3 Ų139.387%0.87481%0.809SS**  trans-86.4169.7-176-65-173.997.700116
534A32.4Very low30.9Very low99 Ų99139.1 Ų139.182%0.81881%0.808SS**  trans63119141.700000121.9
535G27.4Very low30.4Very low73 Ų73136.7 Ų136.775%0.75380%0.804SS**  105.797.3102.800000120.5
536S24.5Very low30.2Very low134 Ų134138.6 Ų138.694%0.93781%0.805SS**  trans69.9138138.6-156.90000121.6
537G25.8Very low30.9Very low76 Ų76133.5 Ų133.578%0.78480%0.8SS**  trans86.1145.716500000115.6
538G26.7Very low30.4Very low74 Ų74130.8 Ų130.876%0.76380%0.802SS**  cis134.898.5-3.400000112.4
539I27.1Very low30.1Very low172 Ų172135.3 Ų135.388%0.88282%0.82SS**  trans-143.6140.9-179.8-44.7177.7000109.9
540S27.6Very low29.8Very low113 Ų113130.7 Ų130.779%0.7982%0.82SS**  trans-141.2131.7-173.6-55.80000114.7
541I30Very low29.7Very low167 Ų167132.4 Ų132.486%0.85682%0.822SS**  trans-176.4152.8152.132.6169.5000107.7
542T26.2Very low29Very low127 Ų127128.6 Ų128.678%0.77982%0.82SS**  cis-106.5169.9-7.946.20000110.1
543S27.7Very low28.8Very low111 Ų111131.3 Ų131.378%0.77682%0.822SS**  cis89.291.320.4-1680000117.3
544S24.1Very low28.6Very low107 Ų107125.2 Ų125.275%0.74881%0.809SS**  trans-168.3104.6140.7175.80000112.8
545C25.5Very low28.5Very low108 Ų108127.7 Ų127.773%0.7382%0.815SS**  trans39.6142.6140-53.10000122.6
546Y28Very low28.8Very low218 Ų218128.1 Ų128.186%0.85581%0.811SS**  cis-169.2-171.5-22.1-119-41.9000109
547P46.7Very low29.3Very low120 Ų120128.1 Ų128.178%0.77981%0.805SS**  trans-114-177.5-14144-30.1000116.3
548G27.1Very low29.8Very low72 Ų72131.2 Ų131.274%0.74281%0.809SS**  trans-176.1139.8164.100000114.1
549D29.6Very low29.8Very low175 Ų175131.2 Ų131.294%0.93681%0.809SS**  trans-85.6174.5-179.8-48.9-88000114
550G28.3Very low30Very low79 Ų79133.6 Ų133.681%0.81481%0.806SS**  trans119.8142.4138.900000118.5
551E30.8Very low31.1Very low200 Ų200134.1 Ų134.194%0.93581%0.807SS**  trans-93.1149.1174.3-54.4161.899.400111.9
552A28.3Very low31.3Very low89 Ų89137.7 Ų137.774%0.73681%0.81SS**  trans-166.5138150.100000115
553W27Very low31.3Very low256 Ų256135.1 Ų135.197%0.9781%0.809SS**  trans-13.1149.8150.3-43.876.2000118.3
554G29.7Very low32.6Very low59 Ų59135.9 Ų135.961%0.60881%0.811SS**  cis138.3144.71.500000112.8
555T31.4Very low33.3Very low152 Ų152137 Ų13793%0.93382%0.816SS**  trans60.9166173.4400000117.1
556A33Very low33.5Very low82 Ų82141.7 Ų141.768%0.67882%0.824SS**  cis-174.4162.2-18.700000107.4
557T35.4Very low33.6Very low133 Ų133135.9 Ų135.982%0.81682%0.821SS**  cis-150.2-138.8-1317.40000106.3
558V34.9Very low32.7Very low141 Ų141137.9 Ų137.986%0.85583%0.825SS**  cis-157.9152.93.7-1710000107.7
559G26.4Very low32.9Very low74 Ų74140.3 Ų140.376%0.76383%0.831SS**  trans170.1125.116100000118
560R33.3Very low32.9Very low222 Ų222135.3 Ų135.384%0.83882%0.82SS**  trans-162151.2170.8-142.2-177.8-168-1042.2110
561P49Very low33.6Very low124 Ų124137.8 Ų137.881%0.80582%0.822SS**  -152.5-150.699.940.3-19.7000115.8
562R34.4Very low33.8Very low242 Ų242136.4 Ų136.491%0.91381%0.813SS**  trans-90.9160.3-158.2-47.7166.9177.7-178.7-2.6116.1
563G27.3Very low34.4Very low74 Ų74138 Ų13876%0.76382%0.816SS**  trans154.6137.4150.300000118.3
564P53.5Low34.4Very low126 Ų126135 Ų13582%0.81881%0.806SS**  trans-109163.9174.341.1-33.9000114.1
565P40.4Very low34.9Very low132 Ų132138.2 Ų138.286%0.85782%0.816SS**  -158.2-161.695.743.3-22.2000117
566K29.6Very low34.6Very low206 Ų206142.9 Ų142.990%0.89682%0.817SS**  trans-69.3157.5-176.7-58.6171.4173.8177.20116.8
567A29.9Very low34.3Very low96 Ų96146.9 Ų146.979%0.79383%0.825SS**  trans-160.1165.1140.800000112.7
568N27.7Very low34.4Very low161 Ų161146.7 Ų146.786%0.86183%0.827SS**  trans-95.4177.4173.1-47.3-38000109.5
569S30.2Very low34Very low124 Ų124144.3 Ų144.387%0.86782%0.822SS**  cis-167.3173.921.850.30000111
570G30.1Very low34Very low69 Ų69151.4 Ų151.471%0.71183%0.826SS**  trans134.7140.5165.500000115.5
571P43.9Very low33.6Very low131 Ų131149.6 Ų149.685%0.85183%0.827SS**  trans-101.8156.5-169.638.3-35.2000116.2
572K34.6Very low32.7Very low171 Ų171153 Ų15374%0.74383%0.829SS**  trans-93.5156.3160-69.3-175.6174.9-174.40110.8
573P40.9Very low32.2Very low122 Ų122145.2 Ų145.279%0.79283%0.825SS**  -134.4155.9128.436.7-26.8000113.8
574Y26Very low32.1Very low194 Ų194150.7 Ų150.776%0.76183%0.83SS**  trans-94.2148.7168.3-70.8-93.8000110.6
575P40.2Very low32Very low127 Ų127149.6 Ų149.683%0.82582%0.823SS**  trans-82.7152.8163.334-32.4000112
576R26.8Very low31.4Very low250 Ų250150.4 Ų150.494%0.94382%0.815SS**  trans-128.7154.8169.7-115.9-171.9-174.4-104.43.7109.7
577L26.2Very low31.3Very low165 Ų165150.2 Ų150.286%0.86481%0.809SS**  trans-73.9151.2174.7-67.3167.1000111.5
578P36.8Very low31.2Very low129 Ų129156.4 Ų156.484%0.83881%0.812SS**  trans-83.8169.1-17234.8-37.2000114
579A26.6Very low31.2Very low92 Ų92151.8 Ų151.876%0.7680%0.802SS**  trans-130.8170.1177.200000112
580W27.3Very low31Very low222 Ų222157.8 Ų157.884%0.84181%0.806SS**  trans-66.8161.8177.659.1-82.5000113.7
581E25.3Very low31Very low185 Ų185160.1 Ų160.186%0.86481%0.811SS**  trans-147.1156.3167.9-165.6163.7-131.400111.3
582K28.1Very low30.3Very low194 Ų194158.5 Ų158.584%0.84381%0.809SS**  trans-130.8148.9175.1-93.6-165.2174.8-170.60110.1
583G25Very low30.1Very low80 Ų80157 Ų15783%0.82582%0.815SS**  trans-147.5150.2172.800000113.5
584E24.4Very low29.5Very low188 Ų188154.6 Ų154.688%0.87981%0.812SS**  trans-149.7178.9-176.1-120.7-166.6161.900107.5
585P52.8Low29.5Very low103 Ų103157.7 Ų157.767%0.66982%0.822SS**  cis-138.5-164.9-13.133.3-9.8000114.7
586E26.3Very low28.9Very low149 Ų149156 Ų15670%0.69682%0.819SS**  trans110.796.9135.5-165145.2-15300123.8
587R28.6Very low29Very low203 Ų203154 Ų15477%0.76682%0.817SS**  trans45142134.6-57.1179.1-177.9-80.4-0.5125.4
588R27.1Very low29.1Very low226 Ų226154.4 Ų154.485%0.85381%0.814SS**  trans83.2133.9144.7-149.9-169.4-47.9-1166.2116.3
589G27.5Very low29.9Very low63 Ų63153.1 Ų153.165%0.64981%0.806SS**  cis136.7120.3-11.200000114.5
590R27.3Very low29.8Very low250 Ų250155.6 Ų155.694%0.94381%0.806SS**  trans-173.9179.2163.2-106.4168.8-152.8-77.31.9112.6
591S28.5Very low29.8Very low119 Ų119149.2 Ų149.283%0.83280%0.795SS**  trans-142.6-179.4-151.5-31.50000116.1
592A31.1Very low29.8Very low97 Ų97151 Ų15180%0.80279%0.794SS**  trans83.2151.7171.200000116.4
593T29.9Very low29.7Very low140 Ų140145.6 Ų145.686%0.85979%0.786SS**  cis-126.61753.954.10000111
594G27.5Very low29.7Very low71 Ų71147.3 Ų147.373%0.73278%0.78SS**  cis126.197.3-7.900000115.2
595R27.4Very low29.8Very low258 Ų258146.9 Ų146.997%0.97478%0.778SS**  trans-154.6152.8165.8-134.8-175.9-163.6-1464.9112
596A27Very low28.9Very low93 Ų93148.7 Ų148.777%0.76979%0.787SS**  trans-145.7160.4-179.600000111.6
597K29.2Very low28.9Very low208 Ų208145.3 Ų145.390%0.90479%0.793SS**  trans-175.2125.1138.3-106.5-179.8-178.9-165.60115.4
598E27.9Very low29Very low172 Ų172144.9 Ų144.980%0.80480%0.8SS**  trans-49.5-178.1152.6-74.7-177.492.800116.9
599P54.3Low29.2Very low102 Ų102138.2 Ų138.266%0.66279%0.793SS**  cis-143.7-161.2-41.139.2-19.4000112.9
600L24.4Very low29.2Very low144 Ų144147.3 Ų147.375%0.75481%0.808SS**  138.5108.7111.5-140.96.1000117.9
601S26.9Very low29.3Very low89 Ų89138.8 Ų138.862%0.62280%0.798SS**  trans66.4162156.475.20000118.7
602R25.2Very low29.5Very low221 Ų221141.9 Ų141.983%0.83480%0.799SS**  cis-152154.718.8-179.2165.2-73.5-176.6-2.4114
603A24.9Very low29.6Very low81 Ų81145 Ų14567%0.66980%0.803SS**  trans-19.2161.1151.900000119.1
604T26.3Very low29.7Very low116 Ų116142.3 Ų142.371%0.71280%0.802SS**  cis-175175.4-5.3-92.20000109
605E25.9Very low29.8Very low180 Ų180145.2 Ų145.284%0.84181%0.811SS**  trans92.1165.5151.2-109.4152.6-145.900122
606T33.4Very low30Very low140 Ų140136.3 Ų136.386%0.85980%0.8SS**  trans-107.5161.3-161.547.60000113.5
607G26.7Very low30.3Very low79 Ų79143.2 Ų143.281%0.81481%0.806SS**  trans-157.5145.7168.300000113.4
608E29.6Very low30.2Very low193 Ų193145.3 Ų145.390%0.90281%0.808SS**  trans-119.8146.2-169.2-80.1-168.788.600115.5
609A32.2Very low30.4Very low87 Ų87140.2 Ų140.272%0.71980%0.802SS**  trans71.4158.3135.100000124.4
610R27.7Very low30.5Very low253 Ų253141 Ų14196%0.95581%0.807SS**  trans77.4136.1169.1-62.4-178.2169-170.8-3.5118.2
611G29.2Very low30.9Very low71 Ų71141.1 Ų141.173%0.73280%0.804SS**  cis165.1176.2-10.200000115.8
612Q33.4Very low31.3Very low184 Ų184145.3 Ų145.386%0.8681%0.811SS**  trans72.7105.9165.4-63.6-174.23.800121.5
613D32Very low31.8Very low164 Ų164146.2 Ų146.288%0.87781%0.814SS**  36.8136.4112.3-47.4-38.7000122.6
614G31.5Very low32.1Very low83 Ų83145.5 Ų145.586%0.85681%0.814SS**  trans-177144.5164.500000113.9
615S31Very low32.1Very low131 Ų131145.6 Ų145.692%0.91682%0.815SS**  trans-139.2152.7-168.571.30000116.4
616G30.8Very low32.2Very low71 Ų71147.8 Ų147.873%0.73282%0.815SS**  trans116.2109.4136.900000121.9
617R34.4Very low32.1Very low238 Ų238147.1 Ų147.190%0.89881%0.811SS**  trans31.2127.9140.2-62.8177.3173.9-103.93.4122
618R26.7Very low32Very low252 Ų252151 Ų15195%0.95181%0.811SS**  -179.1157.6107.9-104.9176.3-86-141.31.1115.5
619G32Very low32Very low65 Ų65151.4 Ų151.467%0.6781%0.805SS**  trans-103.3-140.8163.700000111.2
620P56Low32.2Very low119 Ų119153 Ų15377%0.77381%0.808SS**  cis-150.8-152.310.441.4-16.9000116.1
621Q32.8Very low32.2Very low146 Ų146145.1 Ų145.168%0.68279%0.792SS**  trans91.6143.2167.3-55.3-160.21.500116.6
622K34.4Very low32.1Very low177 Ų177148.7 Ų148.777%0.7780%0.799SS**  cis-159.7175.49-108.6147174.8152.80106.8
623R36.3Very low32.1Very low241 Ų241144.5 Ų144.591%0.90980%0.797SS**  cis179.3155.7-32-148.8-171.5-166.1-169.14.3105.7
624G31.3Very low31.7Very low65 Ų65145.9 Ų145.967%0.6780%0.798SS**  cis-128.4-121.8-4.700000110.3
625V27.6Very low31.9Very low119 Ų119150.1 Ų150.172%0.72180%0.8SS**  cis-144.9117-6.1168.60000109.8
626R28.1Very low31.8Very low226 Ų226150.4 Ų150.485%0.85380%0.796SS**  trans63133.7160.3-62.3172.7-163.4-108.84.6119.2
627V30.1Very low31.7Very low126 Ų126152.5 Ų152.576%0.76480%0.797SS**  cis100.8126.626.81640000111.4
628L25.8Very low31.3Very low159 Ų159145.8 Ų145.883%0.83279%0.792SS**  cis-155.6176.88.6-151.252.8000115.6
629R28.8Very low31.4Very low202 Ų202144.9 Ų144.976%0.76279%0.788SS**  trans-71.4-179.1165-81.8-79175.4142.1-4.9113.1
630P36.6Very low31.1Very low120 Ų120145.4 Ų145.478%0.77978%0.782SS**  cis-126.416820.134.8-13.6000115.9
631S28.3Very low30.1Very low88 Ų88145.3 Ų145.362%0.61578%0.781SS**  cis95.799.526.9-160.50000116
632T26.4Very low30.1Very low146 Ų146141.7 Ų141.790%0.89677%0.772SS**  trans-135.5150.7153.1-56.70000107.1
633A32.7Very low30.1Very low97 Ų97139.9 Ų139.980%0.80277%0.766SS**  trans-108.7141.7-178.800000111.4
634E24.5Very low30.1Very low192 Ų192133.8 Ų133.890%0.89776%0.756SS**  trans-145.3164.1161.7-154.8158-149.300109.9
635L35.8Very low30.5Very low173 Ų173136.4 Ų136.491%0.90675%0.754SS**  trans-88.5137.2-161.6-65.2158000112.2
636V27.6Very low31.4Very low136 Ų136133.9 Ų133.982%0.82475%0.745SS**  trans-121.9136.4164-178.90000107.8
637P29.1Very low32.5Very low116 Ų116126.6 Ų126.675%0.75372%0.719SS**PPolyproline II helixtrans-69.8152.2-164.5-2134.2000114.4R639P637-R639 PolarHBondContact O-N 3.03Å
638A26.4Very low33.4Very low96 Ų96127.4 Ų127.479%0.79371%0.714SS**PPolyproline II helixtrans-63.3124.5161.800000109.4S640A638-S640 PolarHBondContact O-N 2.85Å
639R27.9Very low34.8Very low233 Ų233128.8 Ų128.888%0.87972%0.716SS**PPolyproline II helixtrans-57.8130.4167.3-79.9-174.3173.5174.1-2.2108.5P637P637-R639 PolarHBondContact O-N 3.03Å
640S27.6Very low36.5Very low76 Ų76122.6 Ų122.653%0.53170%0.697SS.*PPolyproline II helixtrans-72.6150.9-176.452.80000111.6A638 S642A638-S640 PolarHBondContact O-N 2.85Å; S640-S642 WeakPolarHBondContact CB-OG 3.47Å; S640-S642 PolarHBondContact O-N 2.95Å; S640-S642 PolarHBondContact OG-OG 2.84Å
641P33.2Very low38.2Very low118 Ų118121 Ų12177%0.76669%0.687SS**THydrogen-bonded Turntrans-76.365.4177.833.3-36.4000110.7
642S32.8Very low40.8Very low69 Ų69119.6 Ų119.648%0.48367%0.674SS.*THydrogen-bonded Turntrans-114.7-31.6-166.8-58.30000113.9S640S640-S642 WeakPolarHBondContact CB-OG 3.47Å; S640-S642 PolarHBondContact O-N 2.95Å; S640-S642 PolarHBondContact OG-OG 2.84Å
643E35.5Very low43.8Very low140 Ų140114.9 Ų114.965%0.65464%0.64SS**G310 helixtrans-73.7-28.5-177.6-69.2166.3149.300112.2L645 A646 Y647E643-L645 PolarHBondContact O-N 3.4Å; E643-A646 PolarHBondContact O-N 3.39Å; E643-Y647 WeakPolarHBondContact O-CD2 3.26Å; E643-Y647 WeakPolarHBondContact O-CE2 3.25Å
644T35.8Very low46.5Very low113 Ų113110.4 Ų110.469%0.69360%0.603SS**G310 helixtrans-64.1-15.1-179.7-29.90000114
645L40.2Very low49.7Very low119 Ų119101.4 Ų101.462%0.62356%0.561SS**G310 helixtrans-92-16.2-179.3-66.6177.7000114E643 Y647E643-L645 PolarHBondContact O-N 3.4Å; L645-Y647 VanDerWaalsContact C-N 3.33Å; L645-Y647 PolarHBondContact O-N 3.08Å
646A47Very low52.4Low66 Ų6693.2 Ų93.255%0.54552%0.518SS..G310 helixtrans-68.5-31.1-177.600000113.1E643 Q648E643-A646 PolarHBondContact O-N 3.39Å; A646-Q648 PolarHBondContact O-N 3.31Å
647Y50.4Low55.5Low74 Ų7486.9 Ų86.929%0.2948%0.48SS..G310 helixtrans-84.6-6.7-169.1-60.1-75.6000115.2E643 L645 H649 L650 F688 Q698E643-Y647 WeakPolarHBondContact O-CD2 3.26Å; E643-Y647 WeakPolarHBondContact O-CE2 3.25Å; L645-Y647 VanDerWaalsContact C-N 3.33Å; L645-Y647 PolarHBondContact O-N 3.08Å; Y647-H649 PolarHBondContact O-N 2.94Å; Y647-L650 HydrophobicContact CD1-CD1 4.34Å; Y647-L650 PolarHBondContact O-N 3.09Å; Y647-F688 HydrophobicContact CD1-CB 4.11Å; Y647-F688 HydrophobicContact CD1-CG 4.36Å; Y647-Q698 HydrophobicContact CE1-CG 4.49Å; Y647-Q698 VanDerWaalsContact CZ-OE1 3.24Å; Y647-Q698 PolarHBondContact OH-NE2 2.93Å; Y647-Q698 VanDerWaalsContact OH-NE2 3.08Å; Y647-Q698 PolarHBondContact OH-OE1 2.9Å
648Q50.1Low58.3Low143 Ų14383 Ų8367%0.66845%0.452SS*.G310 helixtrans-71.7-1.7-171.2-67.4-162.292.100115.5A646A646-Q648 PolarHBondContact O-N 3.31Å
649H53.4Low61.2Low188 Ų18880.7 Ų80.787%0.8743%0.425SS*.G310 helixtrans-129.52.8179.2-80.3-69.2000115.4Y647Y647-H649 PolarHBondContact O-N 2.94Å
650L64.4Low64.1Low72 Ų7274 Ų7438%0.37741%0.406SS..SBendtrans-80.9147.6172.2-72.499.9000111Y647 V652Y647-L650 HydrophobicContact CD1-CD1 4.34Å; Y647-L650 PolarHBondContact O-N 3.09Å; L650-V652 PolarHBondContact O-N 2.95Å
651P72.9Confident67Low86 Ų8670.8 Ų70.856%0.55838%0.382SS*.  trans-65.3119.2176.427.2-33.9000110.2R653 G689P651-R653 PolarHBondContact O-N 3.06Å; P651-G689 PolarHBondContact O-N 3.34Å
652V82.4Confident69.7Low58 Ų5868.4 Ų68.435%0.35236%0.363SS..EExtended strand (participates in β ladder)trans-78.6113.3175.6-172.10000109.2L650 K686 V687 F688 R724L650-V652 PolarHBondContact O-N 2.95Å; V652-K686 HydrophobicContact CG1-CB 4.16Å; V652-K686 HydrophobicContact CG1-CG 4.39Å; V652-V687 WeakPolarHBondContact CA-O 3.29Å; V652-F688 HydrophobicContact CG1-CE1 4.38Å; V652-F688 HydrophobicContact CG2-CD1 4.01Å; V652-F688 HydrophobicContact CG2-CE1 4Å; V652-R724 PolarHBondContact O-NH1 3.11Å
653R89.2Confident72.4Confident47 Ų4765.2 Ų65.218%0.17734%0.341CS..EExtended strand (participates in β ladder)trans-99.4152.2177-63.5160.278.716910.9109.4P651 F655 V687 G689 D690 E715P651-R653 PolarHBondContact O-N 3.06Å; R653-F655 HydrophobicContact CB-CD2 4.12Å; R653-F655 HydrophobicContact CB-CE2 3.73Å; R653-V687 HydrophobicContact CB-CB 4.36Å; R653-V687 PolarHBondContact N-O 3.47Å; R653-V687 PolarHBondContact O-N 3.28Å; R653-G689 VanDerWaalsContact CD-O 3.27Å; R653-G689 WeakPolarHBondContact CD-O 3.45Å; R653-G689 PolarHBondContact NH1-O 2.91Å; R653-D690 IonicContact CZ-OD1 3.22Å; R653-D690 IonicContact NH1-OD1 3.76Å; R653-D690 PolarHBondContact NH1-OD1 3.13Å; R653-E715 WeakPolarHBondContact CG-OE1 3.35Å; R653-E715 IonicContact CZ-OE1 3.71Å; R653-E715 IonicContact CZ-OE2 3.78Å; R653-E715 IonicContact NE-OE1 3.17Å; R653-E715 PolarHBondContact NE-OE1 3.47Å; R653-E715 IonicContact NE-OE2 2.73Å; R653-E715 PolarHBondContact NE-OE2 2.97Å; R653-E715 IonicContact NH2-OE1 3.93Å; R653-E715 IonicContact NH2-OE2 2.74Å; R653-E715 PolarHBondContact NH2-OE2 3.11Å
654I90.2Very high74.7Confident3 Ų364 Ų642%0.01534%0.343CS..EExtended strand (participates in β ladder)trans-107.1124.5179.1-54.7-58.3000108I684 V716 R724 L727 L728I654-I684 HydrophobicContact CG2-CD1 4.4Å; I654-I684 HydrophobicContact CG2-CG2 3.98Å; I654-V716 HydrophobicContact CG2-CB 4.36Å; I654-V716 PolarHBondContact O-N 3.14Å; I654-R724 HydrophobicContact CD1-CB 4.34Å; I654-R724 HydrophobicContact CG1-CB 4.05Å; I654-R724 HydrophobicContact CG1-CG 3.9Å; I654-L727 HydrophobicContact CG2-CB 4.4Å; I654-L727 HydrophobicContact CG2-CD1 3.98Å; I654-L728 HydrophobicContact CD1-CD1 3.93Å; I654-L728 HydrophobicContact CD1-CD2 3.92Å; I654-L728 HydrophobicContact CD1-CG 3.87Å
655F92.2Very high76.9Confident3 Ų362.9 Ų62.91%0.01334%0.34CS..EExtended strand (participates in β ladder)trans-119.6152.4176.5-79.9-110.3000110R653 L685 V687 Y697 V713 A714 E715R653-F655 HydrophobicContact CB-CD2 4.12Å; R653-F655 HydrophobicContact CB-CE2 3.73Å; F655-L685 HydrophobicContact CB-CB 4.41Å; F655-L685 PolarHBondContact N-O 2.89Å; F655-L685 PolarHBondContact O-N 2.91Å; F655-V687 HydrophobicContact CB-CG2 4.2Å; F655-V687 HydrophobicContact CD2-CB 3.59Å; F655-V687 HydrophobicContact CD2-CG1 4.33Å; F655-V687 HydrophobicContact CD2-CG2 3.39Å; F655-V687 HydrophobicContact CE2-CB 3.69Å; F655-V687 HydrophobicContact CE2-CG1 3.93Å; F655-V687 HydrophobicContact CE2-CG2 3.81Å; F655-V687 HydrophobicContact CG-CB 4.48Å; F655-V687 HydrophobicContact CG-CG2 3.81Å; F655-Y697 HydrophobicContact CD1-CE2 4.48Å; F655-Y697 HydrophobicContact CE1-CD2 4.27Å; F655-Y697 AromaticContact CE1-CE2 3.67Å; F655-Y697 HydrophobicContact CE1-CE2 3.67Å; F655-Y697 AromaticContact CE1-CZ 3.88Å; F655-Y697 HydrophobicContact CZ-CE1 4.16Å; F655-Y697 HydrophobicContact CZ-CE2 4.02Å; F655-Y697 AromaticContact CZ-CZ 3.83Å; F655-V713 HydrophobicContact CB-CB 4.36Å; F655-V713 HydrophobicContact CD1-CB 3.96Å; F655-V713 HydrophobicContact CD1-CG2 3.66Å; F655-V713 HydrophobicContact CE1-CG2 4.18Å; F655-A714 CarbonylContact C-O 3.53Å; F655-A714 VanDerWaalsContact CA-O 3.23Å; F655-A714 WeakPolarHBondContact CA-O 3.42Å; F655-A714 WeakPolarHBondContact CD1-O 3.42Å; F655-E715 HydrophobicContact CD1-CB 4.19Å; F655-E715 HydrophobicContact CD2-CB 4.47Å; F655-E715 HydrophobicContact CE1-CB 3.76Å; F655-E715 HydrophobicContact CE2-CB 4.07Å; F655-E715 HydrophobicContact CE2-CG 4.08Å; F655-E715 HydrophobicContact CZ-CB 3.7Å; F655-E715 HydrophobicContact CZ-CG 4.16Å
656V92.1Very high78.9Confident2 Ų260.6 Ų60.61%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-113.1134.7168.7640000108.9I684 V713 A714 V716 L733V656-I684 HydrophobicContact CB-CD1 4.1Å; V656-I684 HydrophobicContact CG2-CD1 4.3Å; V656-V713 CarbonylContact O-C 3.56Å; V656-V713 VanDerWaalsContact O-CA 3.31Å; V656-V713 WeakPolarHBondContact O-CA 3.37Å; V656-A714 HydrophobicContact CG1-CB 4.32Å; V656-A714 PolarHBondContact N-O 3.09Å; V656-A714 PolarHBondContact O-N 2.87Å; V656-V716 HydrophobicContact CB-CG2 3.97Å; V656-V716 HydrophobicContact CG1-CG2 3.83Å; V656-L733 HydrophobicContact CG2-CB 4.29Å
657A92.3Very high80.5Confident2 Ų258.4 Ų58.42%0.01731%0.307CS..EExtended strand (participates in β ladder)trans-70.6130.1172.700000111F679 R680 G682 Q683 L685A657-F679 HydrophobicContact CB-CD2 3.44Å; A657-F679 VanDerWaalsContact CB-CD2 3.44Å; A657-F679 HydrophobicContact CB-CE2 3.81Å; A657-F679 HydrophobicContact CB-CG 4.35Å; A657-R680 WeakPolarHBondContact CB-O 3.44Å; A657-G682 PolarHBondContact O-N 3.41Å; A657-Q683 HydrophobicContact CB-CB 4.44Å; A657-Q683 PolarHBondContact N-O 3.41Å; A657-L685 HydrophobicContact CB-CD1 4.26Å
658L87.8Confident81.8Confident35 Ų3558.2 Ų58.218%0.18332%0.315CS..SBendtrans-87.2-18.6178.7-63.2-179.8000113M712 A714L658-M712 PolarHBondContact N-O 3.07Å; L658-A714 HydrophobicContact CD1-CB 4.19Å; L658-A714 HydrophobicContact CD2-CB 3.9Å; L658-A714 HydrophobicContact CG-CB 4.16Å
659F87.4Confident82.9Confident48 Ų4855 Ų5521%0.21130%0.302CS..SBendtrans-148.9160.6-176.5-54.6-70.4000110.3E681 M712 P758F659-E681 PolarHBondContact O-N 3.41Å; F659-M712 HydrophobicContact CB-CE 3.78Å; F659-M712 HydrophobicContact CD2-CE 4.25Å; F659-M712 HydrophobicContact CD2-SD 4.02Å; F659-M712 HydrophobicContact CG-CE 4.41Å; F659-P758 HydrophobicContact CD2-CB 4.32Å
660D89.5Confident83.9Confident91 Ų9152.2 Ų52.249%0.48730%0.301SS..  trans-62.6139.8165.2-85.6-0.3000111.1M666 R680 E681D660-M666 WeakPolarHBondContact O-CE 3.39Å; D660-R680 WeakPolarHBondContact OD1-CA 3.46Å; D660-R680 WeakPolarHBondContact OD1-CB 3.29Å; D660-E681 PolarHBondContact OD1-N 2.75Å
661Y89.3Confident84.6Confident9 Ų952.9 Ų52.94%0.03531%0.305CS..BIsolated β-bridgetrans-136.4113.1176.8-170.1-115.8000112.1P663 M666 E676 L677 P678 F679 P709 M712Y661-P663 HydrophobicContact CD1-CG 4.25Å; Y661-P663 HydrophobicContact CE1-CG 3.92Å; Y661-M666 HydrophobicContact CD2-CE 3.95Å; Y661-M666 HydrophobicContact CE2-CB 4.31Å; Y661-E676 HydrophobicContact CE1-CB 4.45Å; Y661-E676 PolarHBondContact OH-OE2 2.76Å; Y661-L677 WeakPolarHBondContact CD1-O 3.42Å; Y661-P678 WeakPolarHBondContact O-CA 3.5Å; Y661-F679 VanDerWaalsContact CB-CZ 3.48Å; Y661-F679 HydrophobicContact CD1-CD1 4.2Å; Y661-F679 AromaticContact CD1-CE1 3.6Å; Y661-F679 HydrophobicContact CD1-CE1 3.6Å; Y661-F679 AromaticContact CD1-CZ 3.83Å; Y661-F679 HydrophobicContact CD1-CZ 3.83Å; Y661-F679 HydrophobicContact CE1-CE1 4.46Å; Y661-F679 HydrophobicContact CG-CE1 4.05Å; Y661-F679 HydrophobicContact CG-CE2 4.22Å; Y661-F679 AromaticContact CG-CZ 3.8Å; Y661-F679 HydrophobicContact CG-CZ 3.8Å; Y661-F679 PolarHBondContact N-O 2.73Å; Y661-F679 PolarHBondContact O-N 2.77Å; Y661-F679 VanDerWaalsContact O-N 3.08Å; Y661-F679 VanDerWaalsContact O-O 3.13Å; Y661-P709 HydrophobicContact CD1-CG 4.46Å; Y661-P709 HydrophobicContact CE1-CG 3.74Å; Y661-P709 HydrophobicContact CE2-CG 3.87Å; Y661-P709 VanDerWaalsContact OH-CG 3.31Å; Y661-P709 WeakPolarHBondContact OH-CG 3.41Å; Y661-M712 HydrophobicContact CD2-CE 3.93Å; Y661-M712 HydrophobicContact CD2-CG 4.41Å
662D89.6Confident85Confident68 Ų6849 Ų4936%0.36428%0.28SS..  trans-113.1109.2168.5168.336.3000109.3V664 S665 M666D662-V664 PolarHBondContact O-N 3.08Å; D662-V664 PolarHBondContact OD1-N 3.14Å; D662-V664 VanDerWaalsContact OD1-N 3.15Å; D662-S665 PolarHBondContact O-N 3.01Å; D662-S665 VanDerWaalsContact OD2-CB 3.24Å; D662-S665 WeakPolarHBondContact OD2-CB 3.44Å; D662-S665 PolarHBondContact OD2-N 2.89Å; D662-S665 PolarHBondContact OD2-OG 3.32Å; D662-M666 WeakPolarHBondContact O-CB 3.46Å; D662-M666 PolarHBondContact O-N 3.49Å
663P87.9Confident84.8Confident3 Ų348.4 Ų48.42%0.01929%0.286CS..Hα-helixtrans-53.4-36.5177.4-27.935.2000113.4Y661 S665 S667 A672 E676 P678Y661-P663 HydrophobicContact CD1-CG 4.25Å; Y661-P663 HydrophobicContact CE1-CG 3.92Å; P663-S665 VanDerWaalsContact C-N 3.31Å; P663-S665 PolarHBondContact O-N 2.92Å; P663-S667 WeakPolarHBondContact O-CB 3.41Å; P663-S667 PolarHBondContact O-N 3.01Å; P663-A672 HydrophobicContact CB-CB 3.81Å; P663-A672 WeakPolarHBondContact CB-O 3.43Å; P663-E676 HydrophobicContact CB-CB 3.96Å; P663-E676 HydrophobicContact CG-CB 3.83Å; P663-P678 HydrophobicContact CG-CB 4.39Å
664V83.8Confident84.4Confident115 Ų11555.1 Ų55.170%0.69732%0.319SS*.Hα-helixtrans-70.6-26.1-172.7-175.60000112.7D662D662-V664 PolarHBondContact O-N 3.08Å; D662-V664 PolarHBondContact OD1-N 3.14Å; D662-V664 VanDerWaalsContact OD1-N 3.15Å
665S83.5Confident84.2Confident88 Ų8860.4 Ų60.462%0.61534%0.344SS*.Hα-helixtrans-110.2-18.1178.8610000114.9D662 P663D662-S665 PolarHBondContact O-N 3.01Å; D662-S665 VanDerWaalsContact OD2-CB 3.24Å; D662-S665 WeakPolarHBondContact OD2-CB 3.44Å; D662-S665 PolarHBondContact OD2-N 2.89Å; D662-S665 PolarHBondContact OD2-OG 3.32Å; P663-S665 VanDerWaalsContact C-N 3.31Å; P663-S665 PolarHBondContact O-N 2.92Å
666M82.4Confident84.1Confident71 Ų7160.8 Ų60.835%0.3535%0.346SS..Hα-helixtrans-117.2-16.2-175-60.8-140.9-69.900115.6D660 Y661 D662 M712D660-M666 WeakPolarHBondContact O-CE 3.39Å; Y661-M666 HydrophobicContact CD2-CE 3.95Å; Y661-M666 HydrophobicContact CE2-CB 4.31Å; D662-M666 WeakPolarHBondContact O-CB 3.46Å; D662-M666 PolarHBondContact O-N 3.49Å; M666-M712 HydrophobicContact CE-CE 4Å
667S80Confident84.1Confident20 Ų2060.8 Ų60.814%0.1435%0.346CS..  trans-83.4145172.7-167.60000112.1P663 N669 E676P663-S667 WeakPolarHBondContact O-CB 3.41Å; P663-S667 PolarHBondContact O-N 3.01Å; S667-N669 VanDerWaalsContact C-N 3.25Å; S667-N669 PolarHBondContact OG-N 3Å; S667-E676 WeakPolarHBondContact CB-OE2 3.49Å; S667-E676 VanDerWaalsContact OG-CD 3.25Å; S667-E676 PolarHBondContact OG-OE1 2.65Å; S667-E676 PolarHBondContact OG-OE2 3.01Å
668P77.4Confident84Confident71 Ų7162.6 Ų62.646%0.46136%0.357SS..SBendtrans-78.3-7.2167.933.8-36.8000113.4P761P668-P761 HydrophobicContact CG-CB 4.11Å
669N74.4Confident84.2Confident74 Ų7461.3 Ų61.340%0.39635%0.35SS..  trans-88.4133.5-175.7-59.3-32.5000110.9S667 D671 A672 E676S667-N669 VanDerWaalsContact C-N 3.25Å; S667-N669 PolarHBondContact OG-N 3Å; N669-D671 VanDerWaalsContact C-N 3.28Å; N669-D671 PolarHBondContact O-N 3.03Å; N669-A672 HydrophobicContact CB-CB 4.11Å; N669-A672 WeakPolarHBondContact O-CB 3.16Å; N669-A672 PolarHBondContact O-N 2.93Å; N669-E676 PolarHBondContact ND2-OE1 3.23Å
670P73.4Confident84.4Confident130 Ų13066.7 Ų66.784%0.84437%0.369SS*.THydrogen-bonded Turntrans-73.6-20-178.331.5-36.7000113.8
671D79.8Confident84.4Confident87 Ų8766.8 Ų66.847%0.46537%0.366SS..THydrogen-bonded Turntrans-95.5-6.9-17915.938.3000112.4N669 G673 E674 E675N669-D671 VanDerWaalsContact C-N 3.28Å; N669-D671 PolarHBondContact O-N 3.03Å; D671-G673 PolarHBondContact O-N 2.89Å; D671-E674 PolarHBondContact O-N 3.42Å; D671-E675 PolarHBondContact O-N 3.04Å
672A81.4Confident84.3Confident3 Ų366.5 Ų66.53%0.02537%0.366CS..Hα-helixtrans-46.5-38.8-177.200000114.8P663 N669 E674 E675 E676P663-A672 HydrophobicContact CB-CB 3.81Å; P663-A672 WeakPolarHBondContact CB-O 3.43Å; N669-A672 HydrophobicContact CB-CB 4.11Å; N669-A672 WeakPolarHBondContact O-CB 3.16Å; N669-A672 PolarHBondContact O-N 2.93Å; A672-E674 PolarHBondContact O-N 2.84Å; A672-E675 PolarHBondContact O-N 3.03Å; A672-E676 HydrophobicContact CB-CG 4.35Å; A672-E676 WeakPolarHBondContact CB-OE2 3.37Å; A672-E676 WeakPolarHBondContact O-CB 3.3Å; A672-E676 PolarHBondContact O-N 3.46Å
673G78.1Confident84.3Confident46 Ų4664.6 Ų64.647%0.47436%0.355SS..Hα-helixtrans-66.9-11.9-179.300000115.5D671D671-G673 PolarHBondContact O-N 2.89Å
674E79.9Confident84.5Confident189 Ų18965 Ų6588%0.88336%0.357SS*.Hα-helixtrans-109.2-29.9175.7-62.9-169.5-170.300113D671 A672D671-E674 PolarHBondContact O-N 3.42Å; A672-E674 PolarHBondContact O-N 2.84Å
675E85.4Confident84.9Confident113 Ų11359.5 Ų59.553%0.52832%0.324SS..Hα-helixtrans-102-31.6-175.3-56.5-163.4158.700114.5D671 A672 G706 Y707D671-E675 PolarHBondContact O-N 3.04Å; A672-E675 PolarHBondContact O-N 3.03Å; E675-G706 CarbonylContact O-C 3.56Å; E675-G706 VanDerWaalsContact O-CA 3.27Å; E675-G706 WeakPolarHBondContact O-CA 3.29Å; E675-Y707 HydrophobicContact CB-CD2 4.28Å; E675-Y707 WeakPolarHBondContact O-CD2 3.41Å; E675-Y707 PolarHBondContact O-N 3.04Å
676E91.9Very high85.3Confident12 Ų1257.9 Ų57.96%0.05631%0.306CS..BIsolated β-bridgetrans-95.2145-178.2-58.2167.2-166.100110.8Y661 P663 S667 N669 A672 P678Y661-E676 HydrophobicContact CE1-CB 4.45Å; Y661-E676 PolarHBondContact OH-OE2 2.76Å; P663-E676 HydrophobicContact CB-CB 3.96Å; P663-E676 HydrophobicContact CG-CB 3.83Å; S667-E676 WeakPolarHBondContact CB-OE2 3.49Å; S667-E676 VanDerWaalsContact OG-CD 3.25Å; S667-E676 PolarHBondContact OG-OE1 2.65Å; S667-E676 PolarHBondContact OG-OE2 3.01Å; N669-E676 PolarHBondContact ND2-OE1 3.23Å; A672-E676 HydrophobicContact CB-CG 4.35Å; A672-E676 WeakPolarHBondContact CB-OE2 3.37Å; A672-E676 WeakPolarHBondContact O-CB 3.3Å; A672-E676 PolarHBondContact O-N 3.46Å; E676-P678 WeakPolarHBondContact O-CD 3.48Å
677L91Very high85.8Confident2 Ų254.5 Ų54.51%0.0129%0.289CS..PPolyproline II helixtrans-88.2117.8-173.5-175.669.9000111.2Y661 F679 L685 R704 Y707 I708Y661-L677 WeakPolarHBondContact CD1-O 3.42Å; L677-F679 WeakPolarHBondContact O-CD1 3.35Å; L677-F679 WeakPolarHBondContact O-CE1 3.33Å; L677-L685 HydrophobicContact CD2-CD2 4.04Å; L677-R704 HydrophobicContact CD1-CB 3.78Å; L677-R704 WeakPolarHBondContact CD1-O 3.2Å; L677-Y707 PolarHBondContact N-O 2.66Å; L677-I708 HydrophobicContact CB-CG1 4.04Å; L677-I708 HydrophobicContact CD2-CD1 3.75Å; L677-I708 HydrophobicContact CD2-CG1 3.81Å
678P90.3Very high86.2Confident39 Ų3955 Ų5525%0.25329%0.289SS..PPolyproline II helixtrans-73.7134.217128.3-33.8000111.9Y661 P663 E676Y661-P678 WeakPolarHBondContact O-CA 3.5Å; P663-P678 HydrophobicContact CG-CB 4.39Å; E676-P678 WeakPolarHBondContact O-CD 3.48Å
679F92.7Very high86.6Confident8 Ų851.9 Ų51.94%0.03527%0.269CS..BIsolated β-bridgetrans-148.4172.8178.654.2-101.6000112.3A657 Y661 L677 L685 I708 M712 V713A657-F679 HydrophobicContact CB-CD2 3.44Å; A657-F679 VanDerWaalsContact CB-CD2 3.44Å; A657-F679 HydrophobicContact CB-CE2 3.81Å; A657-F679 HydrophobicContact CB-CG 4.35Å; Y661-F679 VanDerWaalsContact CB-CZ 3.48Å; Y661-F679 HydrophobicContact CD1-CD1 4.2Å; Y661-F679 AromaticContact CD1-CE1 3.6Å; Y661-F679 HydrophobicContact CD1-CE1 3.6Å; Y661-F679 AromaticContact CD1-CZ 3.83Å; Y661-F679 HydrophobicContact CD1-CZ 3.83Å; Y661-F679 HydrophobicContact CE1-CE1 4.46Å; Y661-F679 HydrophobicContact CG-CE1 4.05Å; Y661-F679 HydrophobicContact CG-CE2 4.22Å; Y661-F679 AromaticContact CG-CZ 3.8Å; Y661-F679 HydrophobicContact CG-CZ 3.8Å; Y661-F679 PolarHBondContact N-O 2.73Å; Y661-F679 PolarHBondContact O-N 2.77Å; Y661-F679 VanDerWaalsContact O-N 3.08Å; Y661-F679 VanDerWaalsContact O-O 3.13Å; L677-F679 WeakPolarHBondContact O-CD1 3.35Å; L677-F679 WeakPolarHBondContact O-CE1 3.33Å; F679-L685 HydrophobicContact CB-CD1 4.26Å; F679-L685 HydrophobicContact CB-CD2 3.99Å; F679-L685 HydrophobicContact CD1-CD1 3.88Å; F679-L685 HydrophobicContact CD2-CD1 4.24Å; F679-L685 HydrophobicContact CE1-CD1 4.27Å; F679-L685 HydrophobicContact CG-CD1 3.88Å; F679-L685 HydrophobicContact CG-CD2 4.44Å; F679-I708 HydrophobicContact CE1-CB 4.46Å; F679-I708 HydrophobicContact CE1-CG1 4.41Å; F679-I708 HydrophobicContact CE1-CG2 3.89Å; F679-I708 HydrophobicContact CZ-CG2 4.24Å; F679-M712 HydrophobicContact CE2-CB 4.01Å; F679-M712 HydrophobicContact CZ-CB 3.77Å; F679-V713 HydrophobicContact CE2-CG1 4.21Å; F679-V713 HydrophobicContact CZ-CG1 4.01Å
680R90.5Very high87.1Confident161 Ų16154 Ų5461%0.60828%0.28SS*.  trans-122.7155.3-179.1-68.4-171.7178.3-174.3-3.1113.6A657 D660 G682 Q683 Y732A657-R680 WeakPolarHBondContact CB-O 3.44Å; D660-R680 WeakPolarHBondContact OD1-CA 3.46Å; D660-R680 WeakPolarHBondContact OD1-CB 3.29Å; R680-G682 PolarHBondContact O-N 3.48Å; R680-Q683 VanDerWaalsContact N-OE1 3.09Å; R680-Q683 WeakPolarHBondContact O-CB 3.43Å; R680-Q683 PolarHBondContact O-N 2.98Å; R680-Y732 HydrophobicContact CB-CE2 4.44Å; R680-Y732 WeakPolarHBondContact CB-OH 3.25Å
681E90.4Very high87.7Confident93 Ų9353.9 Ų53.944%0.43527%0.266SS..THydrogen-bonded Turntrans-53.4124.9175.3-177.7176.415100111F659 D660 Y732F659-E681 PolarHBondContact O-N 3.41Å; D660-E681 PolarHBondContact OD1-N 2.75Å; E681-Y732 WeakPolarHBondContact O-CE1 3.37Å; E681-Y732 PolarHBondContact O-OH 3.05Å
682G85.8Confident88.1Confident3 Ų352.8 Ų52.83%0.03126%0.261CS..THydrogen-bonded Turntrans86.3-8.6-174.700000115.4A657 R680 Y732 L733A657-G682 PolarHBondContact O-N 3.41Å; R680-G682 PolarHBondContact O-N 3.48Å; G682-Y732 CarbonylContact O-C 3.53Å; G682-Y732 WeakPolarHBondContact O-CA 3.36Å; G682-Y732 WeakPolarHBondContact O-CD1 3.48Å; G682-L733 VanDerWaalsContact CA-O 3.23Å; G682-L733 WeakPolarHBondContact CA-O 3.23Å; G682-L733 PolarHBondContact O-N 3.2Å
683Q91.2Very high87.7Confident28 Ų2857.9 Ų57.913%0.13130%0.303CS..BIsolated β-bridgetrans-64.8137177.9-174179-36.500111.5A657 R680 L685 Y732A657-Q683 HydrophobicContact CB-CB 4.44Å; A657-Q683 PolarHBondContact N-O 3.41Å; R680-Q683 VanDerWaalsContact N-OE1 3.09Å; R680-Q683 WeakPolarHBondContact O-CB 3.43Å; R680-Q683 PolarHBondContact O-N 2.98Å; Q683-L685 HydrophobicContact CG-CD2 4.27Å; Q683-Y732 HydrophobicContact CB-CD2 4.23Å; Q683-Y732 HydrophobicContact CB-CE2 3.93Å; Q683-Y732 HydrophobicContact CG-CE2 4.49Å
684I91.3Very high87.8Confident11 Ų1161.5 Ų61.56%0.05631%0.311CS..EExtended strand (participates in β ladder)trans-82.7133.3172.3-68.4-59.1000110.6I654 V656 L728 G731 L733I654-I684 HydrophobicContact CG2-CD1 4.4Å; I654-I684 HydrophobicContact CG2-CG2 3.98Å; V656-I684 HydrophobicContact CB-CD1 4.1Å; V656-I684 HydrophobicContact CG2-CD1 4.3Å; I684-L728 HydrophobicContact CG2-CD2 3.95Å; I684-G731 PolarHBondContact N-O 2.89Å; I684-L733 HydrophobicContact CD1-CB 4.45Å; I684-L733 HydrophobicContact CD1-CD1 3.75Å; I684-L733 HydrophobicContact CD1-CG 3.84Å; I684-L733 HydrophobicContact CG1-CG 4.28Å
685L92.6Very high88.1Confident0 Ų053.3 Ų53.30%028%0.278CS..EExtended strand (participates in β ladder)trans-125.7139.4-177.1-58.6172.5000109.8F655 A657 L677 F679 Q683 I708 V713F655-L685 HydrophobicContact CB-CB 4.41Å; F655-L685 PolarHBondContact N-O 2.89Å; F655-L685 PolarHBondContact O-N 2.91Å; A657-L685 HydrophobicContact CB-CD1 4.26Å; L677-L685 HydrophobicContact CD2-CD2 4.04Å; F679-L685 HydrophobicContact CB-CD1 4.26Å; F679-L685 HydrophobicContact CB-CD2 3.99Å; F679-L685 HydrophobicContact CD1-CD1 3.88Å; F679-L685 HydrophobicContact CD2-CD1 4.24Å; F679-L685 HydrophobicContact CE1-CD1 4.27Å; F679-L685 HydrophobicContact CG-CD1 3.88Å; F679-L685 HydrophobicContact CG-CD2 4.44Å; Q683-L685 HydrophobicContact CG-CD2 4.27Å; L685-I708 HydrophobicContact CB-CD1 4.33Å; L685-I708 HydrophobicContact CD1-CD1 4.24Å; L685-I708 HydrophobicContact CD1-CG2 4.32Å; L685-V713 HydrophobicContact CD1-CG1 3.69Å
686K91.8Very high88.4Confident55 Ų5549.9 Ų49.924%0.23926%0.261CS..EExtended strand (participates in β ladder)trans-87.8131.1167.3-61164.3-179.4166.50107.9V652 F688 G699 E700 L728V652-K686 HydrophobicContact CG1-CB 4.16Å; V652-K686 HydrophobicContact CG1-CG 4.39Å; K686-F688 HydrophobicContact CB-CZ 4.25Å; K686-F688 HydrophobicContact CD-CZ 4.5Å; K686-G699 CarbonylContact O-C 3.55Å; K686-G699 WeakPolarHBondContact O-CA 3.33Å; K686-E700 HydrophobicContact CB-CB 4.28Å; K686-E700 HydrophobicContact CD-CB 4.12Å; K686-E700 HydrophobicContact CD-CG 4.45Å; K686-E700 VanDerWaalsContact CD-OE2 3.27Å; K686-E700 WeakPolarHBondContact CD-OE2 3.45Å; K686-E700 PolarHBondContact N-O 3.11Å; K686-E700 IonicContact NZ-OE1 3.86Å; K686-E700 PolarHBondContact NZ-OE1 3.25Å; K686-E700 IonicContact NZ-OE2 2.66Å; K686-E700 PolarHBondContact NZ-OE2 3.44Å; K686-E700 PolarHBondContact O-N 3.48Å; K686-L728 HydrophobicContact CD-CD2 4.32Å; K686-L728 HydrophobicContact CG-CD2 3.56Å
687V92.1Very high88.4Confident0 Ų050.9 Ų50.90%026%0.264CS..EExtended strand (participates in β ladder)trans-113.9138.1170.9166.70000109.4V652 R653 F655 Y697 I708V652-V687 WeakPolarHBondContact CA-O 3.29Å; R653-V687 HydrophobicContact CB-CB 4.36Å; R653-V687 PolarHBondContact N-O 3.47Å; R653-V687 PolarHBondContact O-N 3.28Å; F655-V687 HydrophobicContact CB-CG2 4.2Å; F655-V687 HydrophobicContact CD2-CB 3.59Å; F655-V687 HydrophobicContact CD2-CG1 4.33Å; F655-V687 HydrophobicContact CD2-CG2 3.39Å; F655-V687 HydrophobicContact CE2-CB 3.69Å; F655-V687 HydrophobicContact CE2-CG1 3.93Å; F655-V687 HydrophobicContact CE2-CG2 3.81Å; F655-V687 HydrophobicContact CG-CB 4.48Å; F655-V687 HydrophobicContact CG-CG2 3.81Å; V687-Y697 HydrophobicContact CG1-CD1 3.79Å; V687-Y697 HydrophobicContact CG1-CG 3.98Å; V687-Y697 HydrophobicContact CG2-CG 4.36Å; V687-I708 HydrophobicContact CG2-CD1 4.28Å
688F89.8Confident88.4Confident31 Ų3153.7 Ų53.714%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-108.8104.9-179.8-53.9-75.3000109.9Y647 V652 K686 Q698 E700Y647-F688 HydrophobicContact CD1-CB 4.11Å; Y647-F688 HydrophobicContact CD1-CG 4.36Å; V652-F688 HydrophobicContact CG1-CE1 4.38Å; V652-F688 HydrophobicContact CG2-CD1 4.01Å; V652-F688 HydrophobicContact CG2-CE1 4Å; K686-F688 HydrophobicContact CB-CZ 4.25Å; K686-F688 HydrophobicContact CD-CZ 4.5Å; F688-Q698 PolarHBondContact N-O 3.16Å; F688-E700 HydrophobicContact CE2-CB 3.82Å; F688-E700 HydrophobicContact CZ-CB 4.02Å
689G84.3Confident88.4Confident4 Ų451.8 Ų51.84%0.04127%0.265CS..SBendtrans84.1-138.5179.600000114.2P651 R653P651-G689 PolarHBondContact O-N 3.34Å; R653-G689 VanDerWaalsContact CD-O 3.27Å; R653-G689 WeakPolarHBondContact CD-O 3.45Å; R653-G689 PolarHBondContact NH1-O 2.91Å
690D84.7Confident88.4Confident118 Ų11854 Ų5463%0.63128%0.276SS*.  trans-116.6174.6-176.5-72.4-66.4000111.3R653R653-D690 IonicContact CZ-OD1 3.22Å; R653-D690 IonicContact NH1-OD1 3.76Å; R653-D690 PolarHBondContact NH1-OD1 3.13Å
691K87.9Confident88.3Confident128 Ų12846.6 Ų46.656%0.55725%0.249SC*.  trans-71.2148.3175.262179.9-177176.10111.6F696 Y697K691-F696 CarbonylContact C-O 3.59Å; K691-F696 VanDerWaalsContact CA-O 3.25Å; K691-F696 WeakPolarHBondContact CA-O 3.46Å; K691-Y697 HydrophobicContact CB-CD1 3.83Å; K691-Y697 HydrophobicContact CB-CE1 3.66Å; K691-Y697 HydrophobicContact CG-CE1 4.4Å
692D86.3Confident87.5Confident64 Ų6445.9 Ų45.934%0.34227%0.267SS..  trans-76-177.8169.16136000112.7D694 G695 F696D692-D694 VanDerWaalsContact C-N 3.28Å; D692-D694 PolarHBondContact O-N 2.84Å; D692-D694 PolarHBondContact OD1-N 2.77Å; D692-G695 PolarHBondContact O-N 2.67Å; D692-G695 PolarHBondContact OD1-N 3.3Å; D692-F696 VanDerWaalsContact CG-O 3.31Å; D692-F696 PolarHBondContact N-O 2.63Å; D692-F696 PolarHBondContact OD1-N 3.32Å
693A74.8Confident87.3Confident111 Ų11149 Ų4992%0.91730%0.299SS*.THydrogen-bonded Turntrans-69.4-22.6-179.500000113.8
694D79.9Confident86.9Confident121 Ų12155.1 Ų55.165%0.64732%0.321SS*.THydrogen-bonded Turntrans-89.4-7.4177.6-71.4-77.1000112.3D692 F696D692-D694 VanDerWaalsContact C-N 3.28Å; D692-D694 PolarHBondContact O-N 2.84Å; D692-D694 PolarHBondContact OD1-N 2.77Å; D694-F696 HydrophobicContact CB-CD2 4.07Å; D694-F696 HydrophobicContact CB-CE2 4.33Å
695G86.6Confident86.8Confident17 Ų1759.5 Ų59.518%0.17535%0.349CS..SBendtrans92.221.7175.200000114.5D692 C710D692-G695 PolarHBondContact O-N 2.67Å; D692-G695 PolarHBondContact OD1-N 3.3Å; G695-C710 WeakPolarHBondContact O-CB 3.47Å; G695-C710 PolarHBondContact O-N 3.19Å; G695-C710 PolarHBondContact O-SG 3.07Å
696F90.1Very high86.8Confident41 Ų4159.9 Ų59.918%0.1835%0.352CS..EExtended strand (participates in β ladder)trans-101.8144.5174.4-64.1-106.5000110.8K691 D692 D694 Y707 I708 P709K691-F696 CarbonylContact C-O 3.59Å; K691-F696 VanDerWaalsContact CA-O 3.25Å; K691-F696 WeakPolarHBondContact CA-O 3.46Å; D692-F696 VanDerWaalsContact CG-O 3.31Å; D692-F696 PolarHBondContact N-O 2.63Å; D692-F696 PolarHBondContact OD1-N 3.32Å; D694-F696 HydrophobicContact CB-CD2 4.07Å; D694-F696 HydrophobicContact CB-CE2 4.33Å; F696-Y707 HydrophobicContact CB-CD1 4.18Å; F696-I708 WeakPolarHBondContact CA-O 3.47Å; F696-P709 HydrophobicContact CD1-CB 4.21Å; F696-P709 HydrophobicContact CD1-CG 4.11Å; F696-P709 HydrophobicContact CE1-CB 4.05Å; F696-P709 HydrophobicContact CE1-CG 3.8Å
697Y92.1Very high86.8Confident33 Ų3361.3 Ų61.313%0.12936%0.357CS..EExtended strand (participates in β ladder)trans-94.3143.5165.5-65.8-68000109.1F655 V687 K691 Y707 I708 C710 V713F655-Y697 HydrophobicContact CD1-CE2 4.48Å; F655-Y697 HydrophobicContact CE1-CD2 4.27Å; F655-Y697 AromaticContact CE1-CE2 3.67Å; F655-Y697 HydrophobicContact CE1-CE2 3.67Å; F655-Y697 AromaticContact CE1-CZ 3.88Å; F655-Y697 HydrophobicContact CZ-CE1 4.16Å; F655-Y697 HydrophobicContact CZ-CE2 4.02Å; F655-Y697 AromaticContact CZ-CZ 3.83Å; V687-Y697 HydrophobicContact CG1-CD1 3.79Å; V687-Y697 HydrophobicContact CG1-CG 3.98Å; V687-Y697 HydrophobicContact CG2-CG 4.36Å; K691-Y697 HydrophobicContact CB-CD1 3.83Å; K691-Y697 HydrophobicContact CB-CE1 3.66Å; K691-Y697 HydrophobicContact CG-CE1 4.4Å; Y697-Y707 CarbonylContact O-C 3.58Å; Y697-I708 PolarHBondContact N-O 2.89Å; Y697-I708 PolarHBondContact O-N 3.35Å; Y697-C710 HydrophobicContact CD2-CB 3.89Å; Y697-C710 HydrophobicContact CE2-CB 3.42Å; Y697-C710 VanDerWaalsContact CE2-CB 3.42Å; Y697-V713 HydrophobicContact CD2-CG2 3.96Å; Y697-V713 HydrophobicContact CE2-CG2 4.07Å
698Q90.7Very high86.8Confident61 Ų6161.3 Ų61.329%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-89.1131167.2-162166.327.800110Y647 F688Y647-Q698 HydrophobicContact CE1-CG 4.49Å; Y647-Q698 VanDerWaalsContact CZ-OE1 3.24Å; Y647-Q698 PolarHBondContact OH-NE2 2.93Å; Y647-Q698 VanDerWaalsContact OH-NE2 3.08Å; Y647-Q698 PolarHBondContact OH-OE1 2.9Å; F688-Q698 PolarHBondContact N-O 3.16Å
699G92Very high86.9Confident0 Ų060.4 Ų60.40%035%0.354CS..EExtended strand (participates in β ladder)trans-158.1178.1-172.900000116.2K686 T705 G706K686-G699 CarbonylContact O-C 3.55Å; K686-G699 WeakPolarHBondContact O-CA 3.33Å; G699-T705 CarbonylContact O-C 3.43Å; G699-T705 VanDerWaalsContact O-CA 3.23Å; G699-T705 WeakPolarHBondContact O-CA 3.38Å; G699-G706 PolarHBondContact N-O 2.96Å; G699-G706 PolarHBondContact O-N 3.3Å
700E92.2Very high87.1Confident54 Ų5461.6 Ų61.625%0.25236%0.362SS..EExtended strand (participates in β ladder)trans-129.7132.3-179.3-174-145128.100110.8K686 F688 R704 T705K686-E700 HydrophobicContact CB-CB 4.28Å; K686-E700 HydrophobicContact CD-CB 4.12Å; K686-E700 HydrophobicContact CD-CG 4.45Å; K686-E700 VanDerWaalsContact CD-OE2 3.27Å; K686-E700 WeakPolarHBondContact CD-OE2 3.45Å; K686-E700 PolarHBondContact N-O 3.11Å; K686-E700 IonicContact NZ-OE1 3.86Å; K686-E700 PolarHBondContact NZ-OE1 3.25Å; K686-E700 IonicContact NZ-OE2 2.66Å; K686-E700 PolarHBondContact NZ-OE2 3.44Å; K686-E700 PolarHBondContact O-N 3.48Å; F688-E700 HydrophobicContact CE2-CB 3.82Å; F688-E700 HydrophobicContact CZ-CB 4.02Å; E700-R704 CarbonylContact C-O 3.6Å; E700-R704 VanDerWaalsContact CA-O 3.25Å; E700-R704 WeakPolarHBondContact CA-O 3.39Å; E700-R704 WeakPolarHBondContact CG-O 3.32Å; E700-T705 HydrophobicContact CB-CG2 3.93Å; E700-T705 HydrophobicContact CG-CG2 4.02Å
701G87.1Confident87.3Confident5 Ų561.1 Ų61.15%0.05236%0.359CS..EExtended strand (participates in β ladder)trans-151136.8177.200000111.1G703 R704G701-G703 PolarHBondContact O-N 3.42Å; G701-G703 VanDerWaalsContact O-N 3.1Å; G701-R704 PolarHBondContact N-O 3.37Å; G701-R704 PolarHBondContact O-N 2.81Å
702G75.3Confident87.4Confident79 Ų7955.5 Ų55.581%0.81434%0.335SS*.THydrogen-bonded Turntrans58.125.2178.600000115.1
703G79.7Confident87.5Confident68 Ų6852.8 Ų52.870%0.70132%0.321SS*.THydrogen-bonded Turntrans79.111.8-176.700000115.4G701G701-G703 PolarHBondContact O-N 3.42Å; G701-G703 VanDerWaalsContact O-N 3.1Å
704R84.8Confident88.3Confident157 Ų15747.7 Ų47.759%0.59228%0.279SS*.EExtended strand (participates in β ladder)trans-116150.3169-77.5-177.6-79.8179.3-3.6110.6L677 E700 G701L677-R704 HydrophobicContact CD1-CB 3.78Å; L677-R704 WeakPolarHBondContact CD1-O 3.2Å; E700-R704 CarbonylContact C-O 3.6Å; E700-R704 VanDerWaalsContact CA-O 3.25Å; E700-R704 WeakPolarHBondContact CA-O 3.39Å; E700-R704 WeakPolarHBondContact CG-O 3.32Å; G701-R704 PolarHBondContact N-O 3.37Å; G701-R704 PolarHBondContact O-N 2.81Å
705T88.8Confident88.7Confident103 Ų10344 Ų4463%0.63226%0.257SS*.EExtended strand (participates in β ladder)trans-109.6143.4171.544.80000110.3G699 E700G699-T705 CarbonylContact O-C 3.43Å; G699-T705 VanDerWaalsContact O-CA 3.23Å; G699-T705 WeakPolarHBondContact O-CA 3.38Å; E700-T705 HydrophobicContact CB-CG2 3.93Å; E700-T705 HydrophobicContact CG-CG2 4.02Å
706G91.3Very high88.7Confident7 Ų743.3 Ų43.37%0.07225%0.25CC..EExtended strand (participates in β ladder)trans-179.2-175.6176.600000112.3E675 G699E675-G706 CarbonylContact O-C 3.56Å; E675-G706 VanDerWaalsContact O-CA 3.27Å; E675-G706 WeakPolarHBondContact O-CA 3.29Å; G699-G706 PolarHBondContact N-O 2.96Å; G699-G706 PolarHBondContact O-N 3.3Å
707Y92.1Very high88.2Confident85 Ų8542.2 Ų42.233%0.33325%0.248SC..EExtended strand (participates in β ladder)trans-79.1142.3175.6-64.4-74.9000112.4E675 L677 F696 Y697E675-Y707 HydrophobicContact CB-CD2 4.28Å; E675-Y707 WeakPolarHBondContact O-CD2 3.41Å; E675-Y707 PolarHBondContact O-N 3.04Å; L677-Y707 PolarHBondContact N-O 2.66Å; F696-Y707 HydrophobicContact CB-CD1 4.18Å; Y697-Y707 CarbonylContact O-C 3.58Å
708I93.5Very high87.4Confident0 Ų041.3 Ų41.30%025%0.246CC..EExtended strand (participates in β ladder)trans-126.3114.7-175.3-63.3170.1000107.6L677 F679 L685 V687 F696 Y697 C710 V713L677-I708 HydrophobicContact CB-CG1 4.04Å; L677-I708 HydrophobicContact CD2-CD1 3.75Å; L677-I708 HydrophobicContact CD2-CG1 3.81Å; F679-I708 HydrophobicContact CE1-CB 4.46Å; F679-I708 HydrophobicContact CE1-CG1 4.41Å; F679-I708 HydrophobicContact CE1-CG2 3.89Å; F679-I708 HydrophobicContact CZ-CG2 4.24Å; L685-I708 HydrophobicContact CB-CD1 4.33Å; L685-I708 HydrophobicContact CD1-CD1 4.24Å; L685-I708 HydrophobicContact CD1-CG2 4.32Å; V687-I708 HydrophobicContact CG2-CD1 4.28Å; F696-I708 WeakPolarHBondContact CA-O 3.47Å; Y697-I708 PolarHBondContact N-O 2.89Å; Y697-I708 PolarHBondContact O-N 3.35Å; I708-C710 PolarHBondContact O-N 3.35Å; I708-V713 HydrophobicContact CG2-CB 4.36Å; I708-V713 HydrophobicContact CG2-CG1 3.49Å; I708-V713 VanDerWaalsContact CG2-CG1 3.49Å; I708-V713 HydrophobicContact CG2-CG2 3.89Å
709P90.6Very high86.4Confident12 Ų1246 Ų468%0.07827%0.273CS..EExtended strand (participates in β ladder)trans-65.1128.5179.6-12.923.3000111.1Y661 F696 N711 M712Y661-P709 HydrophobicContact CD1-CG 4.46Å; Y661-P709 HydrophobicContact CE1-CG 3.74Å; Y661-P709 HydrophobicContact CE2-CG 3.87Å; Y661-P709 VanDerWaalsContact OH-CG 3.31Å; Y661-P709 WeakPolarHBondContact OH-CG 3.41Å; F696-P709 HydrophobicContact CD1-CB 4.21Å; F696-P709 HydrophobicContact CD1-CG 4.11Å; F696-P709 HydrophobicContact CE1-CB 4.05Å; F696-P709 HydrophobicContact CE1-CG 3.8Å; P709-N711 PolarHBondContact O-N 3.17Å; P709-N711 VanDerWaalsContact O-N 3.15Å; P709-M712 HydrophobicContact CB-CG 4.03Å; P709-M712 HydrophobicContact CG-CG 4.26Å; P709-M712 PolarHBondContact O-N 3.19Å; P709-M712 VanDerWaalsContact O-N 3.08Å
710C89.1Confident85.8Confident30 Ų3048.8 Ų48.820%0.20329%0.293CS..G310 helixtrans-60.8-30.3-173.769.50000113.9G695 Y697 I708 M712 V713G695-C710 WeakPolarHBondContact O-CB 3.47Å; G695-C710 PolarHBondContact O-N 3.19Å; G695-C710 PolarHBondContact O-SG 3.07Å; Y697-C710 HydrophobicContact CD2-CB 3.89Å; Y697-C710 HydrophobicContact CE2-CB 3.42Å; Y697-C710 VanDerWaalsContact CE2-CB 3.42Å; I708-C710 PolarHBondContact O-N 3.35Å; C710-M712 PolarHBondContact O-N 2.88Å; C710-V713 PolarHBondContact O-N 3.44Å
711N89.4Confident85Confident108 Ų10851.3 Ų51.358%0.57831%0.314SS*.G310 helixtrans-68.7-10.7179.5-62.8-27.6000114.3P709P709-N711 PolarHBondContact O-N 3.17Å; P709-N711 VanDerWaalsContact O-N 3.15Å
712M88.8Confident84.4Confident10 Ų1054.6 Ų54.65%0.04934%0.34CS..G310 helixtrans-105.5-0.3-173.9-57.4-61.8-81.700112.9L658 F659 Y661 M666 F679 P709 C710 P758L658-M712 PolarHBondContact N-O 3.07Å; F659-M712 HydrophobicContact CB-CE 3.78Å; F659-M712 HydrophobicContact CD2-CE 4.25Å; F659-M712 HydrophobicContact CD2-SD 4.02Å; F659-M712 HydrophobicContact CG-CE 4.41Å; Y661-M712 HydrophobicContact CD2-CE 3.93Å; Y661-M712 HydrophobicContact CD2-CG 4.41Å; M666-M712 HydrophobicContact CE-CE 4Å; F679-M712 HydrophobicContact CE2-CB 4.01Å; F679-M712 HydrophobicContact CZ-CB 3.77Å; P709-M712 HydrophobicContact CB-CG 4.03Å; P709-M712 HydrophobicContact CG-CG 4.26Å; P709-M712 PolarHBondContact O-N 3.19Å; P709-M712 VanDerWaalsContact O-N 3.08Å; C710-M712 PolarHBondContact O-N 2.88Å; M712-P758 HydrophobicContact CE-CB 3.77Å; M712-P758 HydrophobicContact CE-CG 3.94Å; M712-P758 HydrophobicContact SD-CB 3.62Å; M712-P758 HydrophobicContact SD-CG 4.45Å
713V89.4Confident84.6Confident7 Ų751.5 Ų51.54%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-141.3149.9-171.8-62.20000111.9F655 V656 F679 L685 Y697 I708 C710F655-V713 HydrophobicContact CB-CB 4.36Å; F655-V713 HydrophobicContact CD1-CB 3.96Å; F655-V713 HydrophobicContact CD1-CG2 3.66Å; F655-V713 HydrophobicContact CE1-CG2 4.18Å; V656-V713 CarbonylContact O-C 3.56Å; V656-V713 VanDerWaalsContact O-CA 3.31Å; V656-V713 WeakPolarHBondContact O-CA 3.37Å; F679-V713 HydrophobicContact CE2-CG1 4.21Å; F679-V713 HydrophobicContact CZ-CG1 4.01Å; L685-V713 HydrophobicContact CD1-CG1 3.69Å; Y697-V713 HydrophobicContact CD2-CG2 3.96Å; Y697-V713 HydrophobicContact CE2-CG2 4.07Å; I708-V713 HydrophobicContact CG2-CB 4.36Å; I708-V713 HydrophobicContact CG2-CG1 3.49Å; I708-V713 VanDerWaalsContact CG2-CG1 3.49Å; I708-V713 HydrophobicContact CG2-CG2 3.89Å; C710-V713 PolarHBondContact O-N 3.44Å
714A90.1Very high84.5Confident4 Ų452.6 Ų52.63%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-121.8144.217300000111.4F655 V656 L658 V748F655-A714 CarbonylContact C-O 3.53Å; F655-A714 VanDerWaalsContact CA-O 3.23Å; F655-A714 WeakPolarHBondContact CA-O 3.42Å; F655-A714 WeakPolarHBondContact CD1-O 3.42Å; V656-A714 HydrophobicContact CG1-CB 4.32Å; V656-A714 PolarHBondContact N-O 3.09Å; V656-A714 PolarHBondContact O-N 2.87Å; L658-A714 HydrophobicContact CD1-CB 4.19Å; L658-A714 HydrophobicContact CD2-CB 3.9Å; L658-A714 HydrophobicContact CG-CB 4.16Å; A714-V748 HydrophobicContact CB-CG1 3.76Å
715E89.6Confident84.1Confident42 Ų4250.9 Ų50.920%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-77.3129.6177.4-177161.6-15000111.2R653 F655 V748 Y749R653-E715 WeakPolarHBondContact CG-OE1 3.35Å; R653-E715 IonicContact CZ-OE1 3.71Å; R653-E715 IonicContact CZ-OE2 3.78Å; R653-E715 IonicContact NE-OE1 3.17Å; R653-E715 PolarHBondContact NE-OE1 3.47Å; R653-E715 IonicContact NE-OE2 2.73Å; R653-E715 PolarHBondContact NE-OE2 2.97Å; R653-E715 IonicContact NH2-OE1 3.93Å; R653-E715 IonicContact NH2-OE2 2.74Å; R653-E715 PolarHBondContact NH2-OE2 3.11Å; F655-E715 HydrophobicContact CD1-CB 4.19Å; F655-E715 HydrophobicContact CD2-CB 4.47Å; F655-E715 HydrophobicContact CE1-CB 3.76Å; F655-E715 HydrophobicContact CE2-CB 4.07Å; F655-E715 HydrophobicContact CE2-CG 4.08Å; F655-E715 HydrophobicContact CZ-CB 3.7Å; F655-E715 HydrophobicContact CZ-CG 4.16Å; E715-V748 WeakPolarHBondContact O-CA 3.39Å; E715-Y749 PolarHBondContact O-N 3.4Å
716V86.8Confident83.6Confident4 Ų450.7 Ų50.72%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-97.9103.9173.3-169.80000108.2I654 V656 V718 L727 P746 V748I654-V716 HydrophobicContact CG2-CB 4.36Å; I654-V716 PolarHBondContact O-N 3.14Å; V656-V716 HydrophobicContact CB-CG2 3.97Å; V656-V716 HydrophobicContact CG1-CG2 3.83Å; V716-V718 HydrophobicContact CG1-CG2 3.95Å; V716-V718 PolarHBondContact O-N 2.94Å; V716-L727 HydrophobicContact CB-CD1 4.46Å; V716-L727 HydrophobicContact CG1-CD1 3.8Å; V716-P746 HydrophobicContact CG1-CB 3.54Å; V716-P746 HydrophobicContact CG1-CG 4.48Å; V716-V748 HydrophobicContact CB-CG2 4.49Å; V716-V748 HydrophobicContact CG1-CG2 4.34Å; V716-V748 HydrophobicContact CG2-CG2 4.17Å
717A79.1Confident83.2Confident18 Ų1850.7 Ų50.715%0.14928%0.28CS..EExtended strand (participates in β ladder)trans-68.5120.1174.600000109.8F747 Y749A717-F747 WeakPolarHBondContact CA-O 3.42Å; A717-F747 HydrophobicContact CB-CB 4.33Å; A717-F747 VanDerWaalsContact CB-O 3.25Å; A717-F747 WeakPolarHBondContact CB-O 3.46Å; A717-F747 PolarHBondContact N-O 3.27Å; A717-F747 PolarHBondContact O-N 3.47Å; A717-Y749 HydrophobicContact CB-CD2 4.21Å; A717-Y749 HydrophobicContact CB-CE2 3.75Å
718V74.1Confident82.6Confident13 Ų1349.3 Ų49.38%0.07928%0.278CS..  trans-137.6108.6176.8-167.60000109.4V716 S720 R724 L727 P746V716-V718 HydrophobicContact CG1-CG2 3.95Å; V716-V718 PolarHBondContact O-N 2.94Å; V718-S720 VanDerWaalsContact C-N 3.33Å; V718-S720 WeakPolarHBondContact CG1-O 3.39Å; V718-S720 PolarHBondContact O-N 2.76Å; V718-R724 HydrophobicContact CB-CG 3.78Å; V718-R724 HydrophobicContact CG1-CG 4.04Å; V718-R724 HydrophobicContact CG2-CG 4.46Å; V718-R724 VanDerWaalsContact O-CZ 3.3Å; V718-R724 PolarHBondContact O-NE 3.37Å; V718-R724 PolarHBondContact O-NH2 3.45Å; V718-L727 HydrophobicContact CG2-CD1 3.74Å; V718-P746 HydrophobicContact CG2-CB 4.24Å
719D71.3Confident81.8Confident161 Ų16156.3 Ų56.386%0.86131%0.311SS*.SBendtrans-76.5-21.4-175.5-52.1-59.8000113
720S78.1Confident81.2Confident58 Ų5862.9 Ų62.941%0.40633%0.334SS..  trans-96.5132.7176.773.20000112.5V718 A722 G723 R724V718-S720 VanDerWaalsContact C-N 3.33Å; V718-S720 WeakPolarHBondContact CG1-O 3.39Å; V718-S720 PolarHBondContact O-N 2.76Å; S720-A722 PolarHBondContact O-N 2.98Å; S720-G723 PolarHBondContact O-N 2.89Å; S720-G723 PolarHBondContact OG-N 3.23Å; S720-R724 PolarHBondContact O-N 2.68Å
721P75.3Confident80.6Confident107 Ų10762.9 Ų62.970%0.69534%0.34SS*.Hα-helixtrans-64.3-28.8173.425.8-33.3000111.8R724 Q725P721-R724 PolarHBondContact O-N 2.87Å; P721-Q725 WeakPolarHBondContact O-CB 3.35Å; P721-Q725 PolarHBondContact O-N 3.37Å
722A76.3Confident80.2Confident74 Ų7462.7 Ų62.761%0.61233%0.332SS*.Hα-helixtrans-61.8-43.4172.900000112.2S720 Q725 Q726S720-A722 PolarHBondContact O-N 2.98Å; A722-Q725 PolarHBondContact O-N 3.06Å; A722-Q726 WeakPolarHBondContact O-CB 3.3Å; A722-Q726 PolarHBondContact O-N 2.87Å
723G78.1Confident79.8Confident14 Ų1463 Ų6314%0.14433%0.334CS..Hα-helixtrans-63.5-42.8174.800000112.3S720 Q725 Q726 L727S720-G723 PolarHBondContact O-N 2.89Å; S720-G723 PolarHBondContact OG-N 3.23Å; G723-Q725 VanDerWaalsContact C-N 3.34Å; G723-Q725 PolarHBondContact O-N 3.47Å; G723-Q726 WeakPolarHBondContact O-CB 3.05Å; G723-Q726 PolarHBondContact O-N 3.38Å; G723-Q726 VanDerWaalsContact O-N 3.09Å; G723-L727 PolarHBondContact O-N 3.36Å
724R77.8Confident78.4Confident91 Ų9165.7 Ų65.734%0.34335%0.353SS..Hα-helixtrans-58.6-46.5174.5-63.4-175.7-168.5-155.92.6111.1V652 I654 V718 S720 P721 Q726 L727 L728V652-R724 PolarHBondContact O-NH1 3.11Å; I654-R724 HydrophobicContact CD1-CB 4.34Å; I654-R724 HydrophobicContact CG1-CB 4.05Å; I654-R724 HydrophobicContact CG1-CG 3.9Å; V718-R724 HydrophobicContact CB-CG 3.78Å; V718-R724 HydrophobicContact CG1-CG 4.04Å; V718-R724 HydrophobicContact CG2-CG 4.46Å; V718-R724 VanDerWaalsContact O-CZ 3.3Å; V718-R724 PolarHBondContact O-NE 3.37Å; V718-R724 PolarHBondContact O-NH2 3.45Å; S720-R724 PolarHBondContact O-N 2.68Å; P721-R724 PolarHBondContact O-N 2.87Å; R724-Q726 VanDerWaalsContact C-N 3.27Å; R724-Q726 PolarHBondContact O-N 3.43Å; R724-L727 PolarHBondContact O-N 2.93Å; R724-L728 WeakPolarHBondContact O-CG 3.48Å; R724-L728 PolarHBondContact O-N 3.12Å
725Q76.4Confident76.8Confident120 Ų12068.7 Ų68.756%0.56137%0.371SS*.Hα-helixtrans-62.8-32175.9-162.771.839.100112.4P721 A722 G723 Q729P721-Q725 WeakPolarHBondContact O-CB 3.35Å; P721-Q725 PolarHBondContact O-N 3.37Å; A722-Q725 PolarHBondContact O-N 3.06Å; G723-Q725 VanDerWaalsContact C-N 3.34Å; G723-Q725 PolarHBondContact O-N 3.47Å; Q725-Q729 WeakPolarHBondContact O-CB 3.45Å; Q725-Q729 VanDerWaalsContact O-CG 3.31Å; Q725-Q729 WeakPolarHBondContact O-CG 3.4Å; Q725-Q729 PolarHBondContact O-N 3.03Å; Q725-Q729 VanDerWaalsContact O-N 3.08Å; Q725-Q729 PolarHBondContact O-NE2 3.44Å
726Q79.1Confident74.7Confident100 Ų10072.8 Ų72.847%0.46740%0.395SS..Hα-helixtrans-74.3-39.7177.5-165-175.626.300112.3A722 G723 R724 Q729 R730A722-Q726 WeakPolarHBondContact O-CB 3.3Å; A722-Q726 PolarHBondContact O-N 2.87Å; G723-Q726 WeakPolarHBondContact O-CB 3.05Å; G723-Q726 PolarHBondContact O-N 3.38Å; G723-Q726 VanDerWaalsContact O-N 3.09Å; R724-Q726 VanDerWaalsContact C-N 3.27Å; R724-Q726 PolarHBondContact O-N 3.43Å; Q726-Q729 PolarHBondContact O-N 2.81Å; Q726-R730 PolarHBondContact O-N 3.32Å; Q726-R730 VanDerWaalsContact O-N 3.11Å
727L81.9Confident73.2Confident7 Ų778 Ų784%0.03742%0.422CS..Hα-helixtrans-64.6-43.9173.4-66.6-174.9000111.4I654 V716 V718 G723 R724 Q729 R730 G731 L733I654-L727 HydrophobicContact CG2-CB 4.4Å; I654-L727 HydrophobicContact CG2-CD1 3.98Å; V716-L727 HydrophobicContact CB-CD1 4.46Å; V716-L727 HydrophobicContact CG1-CD1 3.8Å; V718-L727 HydrophobicContact CG2-CD1 3.74Å; G723-L727 PolarHBondContact O-N 3.36Å; R724-L727 PolarHBondContact O-N 2.93Å; L727-Q729 VanDerWaalsContact C-N 3.3Å; L727-Q729 PolarHBondContact O-N 3.39Å; L727-R730 PolarHBondContact O-N 2.95Å; L727-R730 VanDerWaalsContact O-N 3.12Å; L727-G731 PolarHBondContact O-N 2.9Å; L727-L733 HydrophobicContact CD2-CD1 4.11Å; L727-L733 HydrophobicContact CD2-CD2 3.84Å; L727-L733 HydrophobicContact CD2-CG 4.22Å
728L79.6Confident71.9Confident55 Ų5580.8 Ų80.829%0.28843%0.433SS..Hα-helixtrans-64-32.2176.3-69.4172.9000113.1I654 I684 K686 R724I654-L728 HydrophobicContact CD1-CD1 3.93Å; I654-L728 HydrophobicContact CD1-CD2 3.92Å; I654-L728 HydrophobicContact CD1-CG 3.87Å; I684-L728 HydrophobicContact CG2-CD2 3.95Å; K686-L728 HydrophobicContact CD-CD2 4.32Å; K686-L728 HydrophobicContact CG-CD2 3.56Å; R724-L728 WeakPolarHBondContact O-CG 3.48Å; R724-L728 PolarHBondContact O-N 3.12Å
729Q77.1Confident70.6Confident148 Ų14887.7 Ų87.769%0.69247%0.469SS*.Hα-helixtrans-72.2-29.5172.4-81.9171.789.100113.5Q725 Q726 L727Q725-Q729 WeakPolarHBondContact O-CB 3.45Å; Q725-Q729 VanDerWaalsContact O-CG 3.31Å; Q725-Q729 WeakPolarHBondContact O-CG 3.4Å; Q725-Q729 PolarHBondContact O-N 3.03Å; Q725-Q729 VanDerWaalsContact O-N 3.08Å; Q725-Q729 PolarHBondContact O-NE2 3.44Å; Q726-Q729 PolarHBondContact O-N 2.81Å; L727-Q729 VanDerWaalsContact C-N 3.3Å; L727-Q729 PolarHBondContact O-N 3.39Å
730R77.1Confident68.8Low149 Ų14988.2 Ų88.256%0.56247%0.466SS*.Hα-helixtrans-74.4-36172.7-75-178.2168.9120.2-2.7112Q726 L727 Y732Q726-R730 PolarHBondContact O-N 3.32Å; Q726-R730 VanDerWaalsContact O-N 3.11Å; L727-R730 PolarHBondContact O-N 2.95Å; L727-R730 VanDerWaalsContact O-N 3.12Å; R730-Y732 PolarHBondContact O-N 3.47Å
731G77.1Confident67.1Low31 Ų3189.9 Ų89.932%0.3249%0.493SS..  trans68-9.1-178.800000115.1I684 L727I684-G731 PolarHBondContact N-O 2.89Å; L727-G731 PolarHBondContact O-N 2.9Å
732Y81.9Confident65Low104 Ų10489.2 Ų89.241%0.40849%0.491SS..BIsolated β-bridgetrans-150.2147-176.1-127.8-89.5000109.8R680 E681 G682 Q683 R730R680-Y732 HydrophobicContact CB-CE2 4.44Å; R680-Y732 WeakPolarHBondContact CB-OH 3.25Å; E681-Y732 WeakPolarHBondContact O-CE1 3.37Å; E681-Y732 PolarHBondContact O-OH 3.05Å; G682-Y732 CarbonylContact O-C 3.53Å; G682-Y732 WeakPolarHBondContact O-CA 3.36Å; G682-Y732 WeakPolarHBondContact O-CD1 3.48Å; Q683-Y732 HydrophobicContact CB-CD2 4.23Å; Q683-Y732 HydrophobicContact CB-CE2 3.93Å; Q683-Y732 HydrophobicContact CG-CE2 4.49Å; R730-Y732 PolarHBondContact O-N 3.47Å
733L78.8Confident63.2Low17 Ų1788.8 Ų88.89%0.08949%0.493CS..  trans-124131.5165.2-77.8179.1000108.8V656 G682 I684 L727V656-L733 HydrophobicContact CG2-CB 4.29Å; G682-L733 VanDerWaalsContact CA-O 3.23Å; G682-L733 WeakPolarHBondContact CA-O 3.23Å; G682-L733 PolarHBondContact O-N 3.2Å; I684-L733 HydrophobicContact CD1-CB 4.45Å; I684-L733 HydrophobicContact CD1-CD1 3.75Å; I684-L733 HydrophobicContact CD1-CG 3.84Å; I684-L733 HydrophobicContact CG1-CG 4.28Å; L727-L733 HydrophobicContact CD2-CD1 4.11Å; L727-L733 HydrophobicContact CD2-CD2 3.84Å; L727-L733 HydrophobicContact CD2-CG 4.22Å
734S60.5Low61.2Low63 Ų6396.5 Ų96.544%0.44153%0.531SS..  trans-70.9138.5169.2-56.70000109.9D736 I737S734-D736 PolarHBondContact O-N 2.91Å; S734-D736 VanDerWaalsContact O-N 3.09Å; S734-I737 PolarHBondContact O-N 3.47Å; S734-I737 VanDerWaalsContact O-N 3.14Å
735P56.8Low59.4Low66 Ų6694.8 Ų94.843%0.42954%0.542SS..G310 helixtrans-53.1-30.1175.9-29.136.3000114.2I737 L738P735-I737 PolarHBondContact O-N 3.45Å; P735-I737 VanDerWaalsContact O-N 3.11Å; P735-L738 WeakPolarHBondContact O-CB 3.38Å; P735-L738 PolarHBondContact O-N 2.79Å
736D46.7Very low58Low129 Ų12992 Ų9269%0.6953%0.534SS*.G310 helixtrans-57.1-27.3179.8-48.5-63.7000113.8S734 L738S734-D736 PolarHBondContact O-N 2.91Å; S734-D736 VanDerWaalsContact O-N 3.09Å; D736-L738 VanDerWaalsContact C-N 3.28Å; D736-L738 PolarHBondContact O-N 2.92Å
737I53.7Low56.4Low114 Ų11493.7 Ų93.759%0.58554%0.54SS*.G310 helixtrans-79.6-11.4-179.9-64.3-179.7000112S734 P735 L739S734-I737 PolarHBondContact O-N 3.47Å; S734-I737 VanDerWaalsContact O-N 3.14Å; P735-I737 PolarHBondContact O-N 3.45Å; P735-I737 VanDerWaalsContact O-N 3.11Å; I737-L739 VanDerWaalsContact C-N 3.33Å
738L52.6Low54.8Low75 Ų7594.5 Ų94.539%0.39355%0.545SS..G310 helixtrans-83-4.4177.6-61.7177.1000114P735 D736 V748P735-L738 WeakPolarHBondContact O-CB 3.38Å; P735-L738 PolarHBondContact O-N 2.79Å; D736-L738 VanDerWaalsContact C-N 3.28Å; D736-L738 PolarHBondContact O-N 2.92Å; L738-V748 HydrophobicContact CD2-CG2 3.7Å
739L45.8Very low53Low159 Ų15998.5 Ų98.583%0.83256%0.558SS**THydrogen-bonded Turntrans-121.9-14.4-169.2-163.459.2000115.5I737 G741I737-L739 VanDerWaalsContact C-N 3.33Å; L739-G741 PolarHBondContact O-N 3.4Å
740E34.4Very low51Low171 Ų17195.5 Ų95.580%0.79955%0.553SS**  trans-85.6107.5174.9-77.1-153.913300112.5S742E740-S742 VanDerWaalsContact C-N 3.28Å; E740-S742 PolarHBondContact O-N 2.89Å
741G41.6Very low49Very low94 Ų9493.5 Ų93.597%0.96956%0.558SS**  trans-69.676.9170.600000112.9L739L739-G741 PolarHBondContact O-N 3.4Å
742S32Very low47Very low93 Ų9395.9 Ų95.965%0.6557%0.574SS**  trans-123.9131.5169.8-1680000110.2E740E740-S742 VanDerWaalsContact C-N 3.28Å; E740-S742 PolarHBondContact O-N 2.89Å
743G38.1Very low44.8Very low64 Ų6496.7 Ų96.766%0.6658%0.581SS**THydrogen-bonded Turntrans-58.4140.1-174.700000112.6
744N37Very low42.7Very low177 Ų177100.6 Ų100.695%0.94761%0.606SS**THydrogen-bonded Turntrans87.312.9-174-44.3-67.7000117
745G40.2Very low41.5Very low54 Ų54105.1 Ų105.156%0.55763%0.631SS**SBendtrans-77.5151.1161.500000113
746P45.1Very low40.7Very low63 Ų63103.5 Ų103.541%0.40963%0.626SS.*PPolyproline II helixtrans-61.9132.6169-22.234.7000111.9V716 V718V716-P746 HydrophobicContact CG1-CB 3.54Å; V716-P746 HydrophobicContact CG1-CG 4.48Å; V718-P746 HydrophobicContact CG2-CB 4.24Å
747F45.6Very low40.5Very low134 Ų134103.1 Ų103.159%0.58863%0.631SS**EExtended strand (participates in β ladder)trans-80.5135178.7-169.9-95.7000110.1A717 Y749A717-F747 WeakPolarHBondContact CA-O 3.42Å; A717-F747 HydrophobicContact CB-CB 4.33Å; A717-F747 VanDerWaalsContact CB-O 3.25Å; A717-F747 WeakPolarHBondContact CB-O 3.46Å; A717-F747 PolarHBondContact N-O 3.27Å; A717-F747 PolarHBondContact O-N 3.47Å; F747-Y749 HydrophobicContact CD1-CD1 4.25Å; F747-Y749 HydrophobicContact CD1-CE1 4.14Å; F747-Y749 AromaticContact CE1-CD1 3.83Å; F747-Y749 HydrophobicContact CE1-CD1 3.83Å; F747-Y749 AromaticContact CE1-CE1 3.83Å; F747-Y749 HydrophobicContact CE1-CE1 3.83Å
748V49.2Very low40Very low24 Ų2499.5 Ų99.515%0.14562%0.615CS.*EExtended strand (participates in β ladder)trans-108.6127.7175.3173.30000109.1A714 E715 V716 L738 S750A714-V748 HydrophobicContact CB-CG1 3.76Å; E715-V748 WeakPolarHBondContact O-CA 3.39Å; V716-V748 HydrophobicContact CB-CG2 4.49Å; V716-V748 HydrophobicContact CG1-CG2 4.34Å; V716-V748 HydrophobicContact CG2-CG2 4.17Å; L738-V748 HydrophobicContact CD2-CG2 3.7Å; V748-S750 PolarHBondContact O-N 3.25Å
749Y42.3Very low39.7Very low140 Ų140100.3 Ų100.355%0.54962%0.624SS.*  trans-75.696.4174.6-73.1-68.5000109.6E715 A717 F747 T751E715-Y749 PolarHBondContact O-N 3.4Å; A717-Y749 HydrophobicContact CB-CD2 4.21Å; A717-Y749 HydrophobicContact CB-CE2 3.75Å; F747-Y749 HydrophobicContact CD1-CD1 4.25Å; F747-Y749 HydrophobicContact CD1-CE1 4.14Å; F747-Y749 AromaticContact CE1-CD1 3.83Å; F747-Y749 HydrophobicContact CE1-CD1 3.83Å; F747-Y749 AromaticContact CE1-CE1 3.83Å; F747-Y749 HydrophobicContact CE1-CE1 3.83Å; Y749-T751 PolarHBondContact O-N 3.43Å
750S34.5Very low39.6Very low84 Ų84101.9 Ų101.959%0.58763%0.625SS**  trans-61.998-177.3-65.80000112.7V748 A752 H753V748-S750 PolarHBondContact O-N 3.25Å; S750-A752 PolarHBondContact O-N 3.18Å; S750-H753 PolarHBondContact OG-NE2 3.35Å
751T35.4Very low40.2Very low108 Ų10896.4 Ų96.466%0.66360%0.604SS**  trans-84.1105.5158.8-54.10000107.6Y749 H753Y749-T751 PolarHBondContact O-N 3.43Å; T751-H753 PolarHBondContact O-N 2.77Å
752A33.9Very low40.2Very low80 Ų80103.2 Ų103.266%0.66160%0.6SS**  trans12.691.6176.900000117.8S750 T754S750-A752 PolarHBondContact O-N 3.18Å; A752-T754 PolarHBondContact O-N 2.98Å; A752-T754 PolarHBondContact O-OG1 3.08Å
753H36.3Very low40.4Very low121 Ų121109.5 Ų109.556%0.5661%0.61SS**  trans-59.3106.3170.2-63.8-75.5000111S750 T751S750-H753 PolarHBondContact OG-NE2 3.35Å; T751-H753 PolarHBondContact O-N 2.77Å
754T34.9Very low40.4Very low100 Ų100110.9 Ų110.961%0.61361%0.61SS**  trans-100.2109.5176.9-54.40000109.1A752 G756A752-T754 PolarHBondContact O-N 2.98Å; A752-T754 PolarHBondContact O-OG1 3.08Å; T754-G756 PolarHBondContact O-N 2.98Å
755T34.6Very low40.1Very low157 Ų157112.1 Ų112.196%0.96361%0.606SS**  trans-77.867.8177.740.40000111.7
756G40.3Very low39.5Very low32 Ų32118.9 Ų118.933%0.3362%0.621SS.*SBendtrans-160.6172.2178.200000112.1T754T754-G756 PolarHBondContact O-N 2.98Å
757P42.1Very low38.6Very low122 Ų122120.3 Ų120.379%0.79264%0.638SS**SBendtrans-62.2143.6175.827.5-34.6000110.8
758P44.3Very low37.8Very low38 Ų38123.1 Ų123.125%0.24765%0.653CS.*PPolyproline II helixtrans-61.7143.2-170.522.9-34.1000112.9F659 M712 K760F659-P758 HydrophobicContact CD2-CB 4.32Å; M712-P758 HydrophobicContact CE-CB 3.77Å; M712-P758 HydrophobicContact CE-CG 3.94Å; M712-P758 HydrophobicContact SD-CB 3.62Å; M712-P758 HydrophobicContact SD-CG 4.45Å; P758-K760 PolarHBondContact O-N 3.21Å
759P45.6Very low36.7Very low91 Ų91127.7 Ų127.759%0.59169%0.686SS**PPolyproline II helixtrans-66.6123.8179.927.5-33.9000110.6
760K44.3Very low35.8Very low192 Ų192130.2 Ų130.284%0.83570%0.703SS**PPolyproline II helixtrans-62.3132.8-179-66.7-169.8174.8-168.90111.3P758 R762P758-K760 PolarHBondContact O-N 3.21Å; K760-R762 PolarHBondContact O-N 3.12Å
761P47.1Very low35.4Very low57 Ų57129.6 Ų129.637%0.3771%0.71SS.*PPolyproline II helixtrans-56.8132.2176-22.732.1000111.4P668P668-P761 HydrophobicContact CG-CB 4.11Å
762R41.7Very low35.8Very low236 Ų236131.1 Ų131.189%0.89172%0.721SS**PPolyproline II helixtrans-95.2118.6-170.9-161.2171.3-174.5163.4-1.3109.7K760 S764K760-R762 PolarHBondContact O-N 3.12Å; R762-S764 PolarHBondContact O-N 2.79Å
763R36.9Very low35.6Very low225 Ų225131.7 Ų131.785%0.84973%0.726SS**  trans-52.2106.4-173.6-178.4-172.7-179.9-157.22.4113.7
764S37.1Very low35.4Very low94 Ų94134.9 Ų134.966%0.65774%0.741SS**  trans-64.8150165-65.30000111.7R762R762-S764 PolarHBondContact O-N 2.79Å
765K30Very low35.5Very low202 Ų202135.7 Ų135.788%0.87875%0.748SS**  trans-99.9101.9-174.1-176.1-174.5173.3-169.40110.7A767K765-A767 PolarHBondContact O-N 3.48Å
766K28.3Very low35.3Very low197 Ų197134.1 Ų134.186%0.85774%0.742SS**  trans-52.7133.5174.7-172.2166.8-175.4163.80111.9
767A26.3Very low35.3Very low93 Ų93139 Ų13977%0.76977%0.768SS**  trans-129.3153.816700000108.5K765K765-A767 PolarHBondContact O-N 3.48Å
768E28Very low34.5Very low192 Ų192136.3 Ų136.390%0.89776%0.763SS**  trans-100.2138.5-171.7-67.8159.287.900112.5
769S27.1Very low34Very low121 Ų121140.2 Ų140.285%0.84679%0.788SS**  trans-162.3149.3141.2-173.20000110.2
770E24Very low33.3Very low193 Ų193142.2 Ų142.290%0.90280%0.801SS**  trans-88171.3176.9-61.6-177.4102.600112.7
771G26Very low32.6Very low71 Ų71142.2 Ų142.273%0.73280%0.801SS**  trans-85.3-151177.200000114.4
772P42.8Very low32.2Very low140 Ų140148 Ų14891%0.90983%0.828SS**  cis-122.4-161.426.240.7-25.1000114.8
773A29.6Very low31.5Very low92 Ų92142.9 Ų142.976%0.7682%0.823SS**  trans-138.9177.5-152.600000118
774Q32.9Very low31.7Very low188 Ų188137.6 Ų137.688%0.87982%0.817SS**  trans77.8157.3163.1-70.6-167.4-28.700119.9
775P37.5Very low31.5Very low117 Ų117138.3 Ų138.376%0.7682%0.822SS**  cis-127.7175.2-6.528.7-6.7000116.4
776C28.4Very low31.7Very low124 Ų124133.2 Ų133.284%0.83882%0.818SS**  trans-83.2-175.1177.9-51.70000112.8
777P41Very low32.2Very low134 Ų134130.7 Ų130.787%0.8781%0.814SS**  cis-140.7173.97.143.8-25.4000118.3
778G25.2Very low33Very low66 Ų66134.8 Ų134.868%0.6882%0.822SS**  trans-174.9145.9164.200000112.3
779P34.3Very low34.5Very low119 Ų119130.5 Ų130.577%0.77380%0.8SS**PPolyproline II helixtrans-76.9149-177.131.4-35.3000112.6K781P779-K781 PolarHBondContact O-N 2.87Å
780P31.7Very low36.4Very low134 Ų134128.4 Ų128.487%0.8779%0.79SS**PPolyproline II helixtrans-67.3121.4-179.927.3-33.8000111.2
781K27.9Very low39.2Very low191 Ų191123 Ų12383%0.8377%0.771SS**PPolyproline II helixtrans-74.7138165.8-72.6179.5177.7176.20109.4P779 V783P779-K781 PolarHBondContact O-N 2.87Å; K781-V783 PolarHBondContact O-N 3.08Å
782L39.3Very low41.9Very low179 Ų179122 Ų12294%0.93775%0.748SS**PPolyproline II helixtrans-62.4124.4158.6-68.5166.9000109.3
783V28Very low44.1Very low129 Ų129118.1 Ų118.178%0.78272%0.724SS**  trans-146.9141.2158.8-108.30000108.6K781K781-V783 PolarHBondContact O-N 3.08Å
784P41.3Very low46.9Very low113 Ų113114.6 Ų114.673%0.73469%0.692SS**  trans-101.3-173.8-168.141.2-37.8000113.6
785S32.8Very low49.6Very low109 Ų109108.3 Ų108.376%0.76267%0.666SS**  trans80.4100.8164.9-53.60000117
786A34.2Very low52.2Low96 Ų96102.9 Ų102.979%0.79363%0.631SS**  -89.5150.1129.600000108
787D37.2Very low54.9Low143 Ų14398.7 Ų98.777%0.76561%0.605SS**  trans-69.3133.5-164.1-61.2-82.7000114.7K789D787-K789 PolarHBondContact O-N 2.85Å
788L44.9Very low57Low179 Ų17998.4 Ų98.494%0.93759%0.591SS**  trans-7273.8160.5-72.5178.5000109.7A790L788-A790 PolarHBondContact O-N 3.04Å
789K58.3Low59.9Low103 Ų10399.7 Ų99.745%0.44858%0.582SS.*PPolyproline II helixtrans-53119.9162.8-135.2-172.1179.8-158.40107.5D787 H792 G827D787-K789 PolarHBondContact O-N 2.85Å; K789-H792 PolarHBondContact NZ-NE2 2.93Å; K789-G827 VanDerWaalsContact CD-O 3.22Å; K789-G827 WeakPolarHBondContact CD-O 3.08Å
790A67Low62.4Low76 Ų7694.6 Ų94.663%0.62855%0.548SS*.PPolyproline II helixtrans-57.2138.5-179.600000109.8L788 H792L788-A790 PolarHBondContact O-N 3.04Å; A790-H792 PolarHBondContact O-N 3.23Å
791P82.4Confident64.9Low79 Ų7991 Ų9151%0.51352%0.521SS..PPolyproline II helixtrans-56.5126.9-177.1-24.433.7000110.7T824 V825 F826P791-T824 HydrophobicContact CB-CG2 3.84Å; P791-V825 CarbonylContact C-O 3.58Å; P791-V825 VanDerWaalsContact CA-O 3.26Å; P791-V825 WeakPolarHBondContact CA-O 3.41Å; P791-F826 HydrophobicContact CB-CD1 3.85Å; P791-F826 HydrophobicContact CB-CE1 3.82Å; P791-F826 HydrophobicContact CB-CZ 4.46Å; P791-F826 HydrophobicContact CG-CD1 3.63Å; P791-F826 HydrophobicContact CG-CE1 3.73Å
792H83.6Confident67.5Low51 Ų5182.2 Ų82.224%0.23648%0.483CS..EExtended strand (participates in β ladder)trans-127.2128.2-172.457.648.7000111.5K789 A790 V825K789-H792 PolarHBondContact NZ-NE2 2.93Å; A790-H792 PolarHBondContact O-N 3.23Å; H792-V825 PolarHBondContact N-O 3.19Å; H792-V825 PolarHBondContact O-N 2.75Å
793S89.2Confident69.2Low58 Ų5880.3 Ų80.341%0.40647%0.47SS..EExtended strand (participates in β ladder)trans-69.7134.2179.1-52.50000111.2I823 P854S793-I823 WeakPolarHBondContact CA-O 3.46Å; S793-P854 WeakPolarHBondContact O-CD 3.46Å; S793-P854 VanDerWaalsContact O-CG 3.29Å; S793-P854 WeakPolarHBondContact O-CG 3.19Å
794M88.5Confident71.4Confident18 Ų1881.9 Ų81.99%0.08947%0.468CS..EExtended strand (participates in β ladder)trans-126.8153.2171.7-63.8-17573.600108.9I823 V825 Y835 L851M794-I823 PolarHBondContact N-O 2.62Å; M794-I823 PolarHBondContact O-N 2.89Å; M794-V825 HydrophobicContact CG-CG2 4.33Å; M794-V825 HydrophobicContact SD-CB 4.42Å; M794-V825 HydrophobicContact SD-CG2 4.01Å; M794-Y835 HydrophobicContact CE-CE2 4.39Å; M794-Y835 HydrophobicContact SD-CE2 4.17Å; M794-L851 HydrophobicContact CB-CB 4.25Å; M794-L851 HydrophobicContact CB-CD1 4.04Å; M794-L851 HydrophobicContact CE-CB 3.69Å; M794-L851 HydrophobicContact CE-CD1 4.17Å; M794-L851 HydrophobicContact SD-CB 4.36Å; M794-L851 HydrophobicContact SD-CD1 3.78Å
795V89.9Confident72.6Confident57 Ų5779.5 Ų79.535%0.34545%0.454SS..EExtended strand (participates in β ladder)trans-102.8132.3-178.7-174.80000108.9A797 D821 E852V795-A797 PolarHBondContact O-N 3.3Å; V795-D821 WeakPolarHBondContact CA-O 3.41Å; V795-E852 PolarHBondContact N-O 3.45Å; V795-E852 PolarHBondContact O-N 2.88Å
796A91.1Very high74.2Confident2 Ų275.4 Ų75.42%0.01743%0.426CS..EExtended strand (participates in β ladder)trans-66.5118.1171.700000110.6F817 R818 A819 G820 D821 I823 F850A796-F817 HydrophobicContact CB-CD2 3.41Å; A796-F817 VanDerWaalsContact CB-CD2 3.41Å; A796-F817 HydrophobicContact CB-CE2 3.74Å; A796-F817 HydrophobicContact CB-CG 4.41Å; A796-R818 WeakPolarHBondContact CB-O 3.25Å; A796-A819 CarbonylContact O-C 3.56Å; A796-A819 WeakPolarHBondContact O-CA 3.49Å; A796-G820 PolarHBondContact O-N 3.03Å; A796-D821 HydrophobicContact CB-CB 4.4Å; A796-D821 PolarHBondContact N-O 2.78Å; A796-I823 HydrophobicContact CB-CD1 4.16Å; A796-F850 CarbonylContact C-O 3.53Å; A796-F850 WeakPolarHBondContact CA-O 3.48Å
797A85.9Confident75.5Confident36 Ų3676.9 Ų76.930%0.29843%0.427SS..SBendtrans-77.5-25.1177.500000112.6V795 F850 E852V795-A797 PolarHBondContact O-N 3.3Å; A797-F850 PolarHBondContact N-O 2.92Å; A797-E852 HydrophobicContact CB-CB 4.32Å
798F85.1Confident76.8Confident129 Ų12973.9 Ų73.957%0.56641%0.411SS*.SBendtrans-140.4155.6-175.9-53.4-68.7000111F850F798-F850 HydrophobicContact CB-CD1 3.88Å; F798-F850 HydrophobicContact CB-CE1 4.31Å
799D86.3Confident77.3Confident92 Ų9273.8 Ų73.849%0.49241%0.408SS..  trans-63.9137.1169.8-71-29.1000110.5R818 A819D799-R818 WeakPolarHBondContact OD1-CA 3.4Å; D799-R818 WeakPolarHBondContact OD1-CB 3.42Å; D799-R818 IonicContact OD1-NH1 2.84Å; D799-R818 IonicContact OD2-NH1 2.75Å; D799-A819 PolarHBondContact OD1-N 2.84Å
800Y85.9Confident77.5Confident13 Ų1374.9 Ų74.95%0.05142%0.419CS..BIsolated β-bridgetrans-130.2113.3173.9-169.7-115.4000111.3P802 E814 F817 P847 F850Y800-P802 HydrophobicContact CD1-CG 4.02Å; Y800-P802 HydrophobicContact CE1-CB 4.45Å; Y800-P802 HydrophobicContact CE1-CG 3.77Å; Y800-E814 PolarHBondContact OH-OE2 3.37Å; Y800-F817 VanDerWaalsContact CB-CE2 3.43Å; Y800-F817 HydrophobicContact CD1-CD1 4.26Å; Y800-F817 AromaticContact CD1-CE1 3.59Å; Y800-F817 HydrophobicContact CD1-CE1 3.59Å; Y800-F817 AromaticContact CD1-CZ 3.95Å; Y800-F817 HydrophobicContact CD1-CZ 3.95Å; Y800-F817 AromaticContact CG-CE1 3.93Å; Y800-F817 HydrophobicContact CG-CE1 3.93Å; Y800-F817 HydrophobicContact CG-CE2 4.4Å; Y800-F817 AromaticContact CG-CZ 3.82Å; Y800-F817 HydrophobicContact CG-CZ 3.82Å; Y800-F817 PolarHBondContact N-O 2.8Å; Y800-F817 PolarHBondContact O-N 2.9Å; Y800-F817 VanDerWaalsContact O-N 3.1Å; Y800-F817 VanDerWaalsContact O-O 3.09Å; Y800-P847 HydrophobicContact CD1-CG 4.12Å; Y800-P847 HydrophobicContact CD2-CG 4.26Å; Y800-P847 HydrophobicContact CE1-CG 3.56Å; Y800-P847 HydrophobicContact CE2-CG 3.75Å; Y800-P847 HydrophobicContact CG-CG 4.44Å; Y800-F850 AromaticContact CD2-CD1 3.89Å; Y800-F850 HydrophobicContact CD2-CD1 3.89Å; Y800-F850 HydrophobicContact CD2-CD2 4.39Å; Y800-F850 AromaticContact CD2-CE1 3.64Å; Y800-F850 HydrophobicContact CD2-CE1 3.64Å; Y800-F850 HydrophobicContact CD2-CE2 4.16Å; Y800-F850 HydrophobicContact CD2-CG 4.29Å; Y800-F850 AromaticContact CD2-CZ 3.78Å; Y800-F850 HydrophobicContact CD2-CZ 3.78Å; Y800-F850 HydrophobicContact CE2-CE1 4.46Å; Y800-F850 HydrophobicContact CE2-CE2 4.28Å; Y800-F850 HydrophobicContact CE2-CZ 4.15Å; Y800-F850 HydrophobicContact CG-CD1 4.31Å; Y800-F850 HydrophobicContact CG-CE1 4.44Å
801N83.5Confident77.8Confident59 Ų5972.5 Ų72.532%0.31640%0.396SS..  trans-109.7105.7168.4-1774.4000109.2Q803 E804 S805N801-Q803 PolarHBondContact O-N 3.3Å; N801-Q803 WeakPolarHBondContact OD1-CB 3.25Å; N801-Q803 PolarHBondContact OD1-N 2.82Å; N801-Q803 VanDerWaalsContact OD1-N 3.13Å; N801-E804 HydrophobicContact CB-CB 4.33Å; N801-E804 PolarHBondContact ND2-OE1 3.33Å; N801-E804 PolarHBondContact O-N 3.26Å; N801-S805 VanDerWaalsContact O-CB 3.29Å; N801-S805 WeakPolarHBondContact O-CB 3.3Å; N801-S805 PolarHBondContact O-N 2.82Å; N801-S805 PolarHBondContact O-OG 3.41Å
802P84Confident77.4Confident5 Ų577.9 Ų77.93%0.03241%0.414CS..Hα-helixtrans-48.8-40.2175.3-30.836.3000113.5Y800 E804 S805 S806 V811 E814 P816Y800-P802 HydrophobicContact CD1-CG 4.02Å; Y800-P802 HydrophobicContact CE1-CB 4.45Å; Y800-P802 HydrophobicContact CE1-CG 3.77Å; P802-E804 PolarHBondContact O-N 3.46Å; P802-S805 PolarHBondContact O-N 3.26Å; P802-S806 WeakPolarHBondContact O-CB 3.21Å; P802-S806 PolarHBondContact O-N 2.88Å; P802-V811 HydrophobicContact CB-CG1 3.36Å; P802-E814 HydrophobicContact CB-CB 3.92Å; P802-E814 HydrophobicContact CG-CB 3.81Å; P802-P816 HydrophobicContact CG-CB 4.41Å
803Q73.6Confident77.1Confident140 Ų14077.8 Ų77.865%0.65442%0.423SS*.Hα-helixtrans-68.2-15.1-178-62.7-76.4-31.800114.4N801 V811N801-Q803 PolarHBondContact O-N 3.3Å; N801-Q803 WeakPolarHBondContact OD1-CB 3.25Å; N801-Q803 PolarHBondContact OD1-N 2.82Å; N801-Q803 VanDerWaalsContact OD1-N 3.13Å; Q803-V811 HydrophobicContact CG-CG1 3.97Å; Q803-V811 VanDerWaalsContact NE2-CG1 3.28Å
804E74.2Confident77.1Confident162 Ų16275.6 Ų75.676%0.75741%0.406SS*.Hα-helixtrans-115.8-22.6177.8-70.8175.4-124.400113.2N801 P802N801-E804 HydrophobicContact CB-CB 4.33Å; N801-E804 PolarHBondContact ND2-OE1 3.33Å; N801-E804 PolarHBondContact O-N 3.26Å; P802-E804 PolarHBondContact O-N 3.46Å
805S66.7Low77.1Confident62 Ų6275 Ų7543%0.43440%0.403SS..Hα-helixtrans-117.2-18.3-167.7-54.10000114.2N801 P802N801-S805 VanDerWaalsContact O-CB 3.29Å; N801-S805 WeakPolarHBondContact O-CB 3.3Å; N801-S805 PolarHBondContact O-N 2.82Å; N801-S805 PolarHBondContact O-OG 3.41Å; P802-S805 PolarHBondContact O-N 3.26Å
806S67.5Low77Confident23 Ų2375.3 Ų75.316%0.16141%0.407CS..  trans-83.8134178.5-1670000112P802 N808 E814P802-S806 WeakPolarHBondContact O-CB 3.21Å; P802-S806 PolarHBondContact O-N 2.88Å; S806-N808 WeakPolarHBondContact OG-CB 3.33Å; S806-N808 PolarHBondContact OG-N 3.12Å; S806-N808 VanDerWaalsContact OG-N 3.11Å; S806-N808 PolarHBondContact OG-ND2 3.38Å; S806-E814 WeakPolarHBondContact CB-OE2 3.26Å; S806-E814 VanDerWaalsContact OG-CD 3.23Å; S806-E814 PolarHBondContact OG-OE1 3.49Å; S806-E814 PolarHBondContact OG-OE2 3.11Å
807P60.1Low77Confident127 Ų12775.7 Ų75.783%0.82541%0.408SS*.  trans-76.8-10.1165.1-12.429.6000113.5
808N64.6Low77.2Confident80 Ų8081.7 Ų81.743%0.42842%0.423SS..  trans-81156.6-171.9-60.7-33000111.8S806 V811 E814S806-N808 WeakPolarHBondContact OG-CB 3.33Å; S806-N808 PolarHBondContact OG-N 3.12Å; S806-N808 VanDerWaalsContact OG-N 3.11Å; S806-N808 PolarHBondContact OG-ND2 3.38Å; N808-V811 WeakPolarHBondContact O-CG2 3.36Å; N808-E814 PolarHBondContact ND2-OE1 2.97Å
809M56.7Low77.4Confident178 Ų17878.2 Ų78.288%0.87742%0.418SS*.SBendtrans-83.8-29.9173.6-72.1-179.355.600112.4V811M809-V811 PolarHBondContact O-N 2.82Å
810D61.4Low77.3Confident126 Ų12676.2 Ų76.267%0.67442%0.419SS*.  trans-87.549.5-175.2-54.5-67.3000112E812 A813D810-E812 PolarHBondContact O-N 3.14Å; D810-A813 WeakPolarHBondContact O-CB 3.18Å; D810-A813 PolarHBondContact O-N 3.41Å
811V72.6Confident77.5Confident25 Ų2577.8 Ų77.815%0.15243%0.429CS..G310 helixtrans-57.4-20.3-175.7-167.90000112.9P802 Q803 N808 M809 A813 E814P802-V811 HydrophobicContact CB-CG1 3.36Å; Q803-V811 HydrophobicContact CG-CG1 3.97Å; Q803-V811 VanDerWaalsContact NE2-CG1 3.28Å; N808-V811 WeakPolarHBondContact O-CG2 3.36Å; M809-V811 PolarHBondContact O-N 2.82Å; V811-A813 VanDerWaalsContact C-N 3.29Å; V811-A813 PolarHBondContact O-N 2.96Å; V811-E814 PolarHBondContact O-N 3.13Å
812E74.1Confident77.8Confident192 Ų19279 Ų7990%0.89744%0.438SS*.G310 helixtrans-75-13.9176.6-59.9-178.1-178.700113.5D810D810-E812 PolarHBondContact O-N 3.14Å
813A78.6Confident78.2Confident50 Ų5078.8 Ų78.841%0.41344%0.437SS..G310 helixtrans-88.4-9.8174.400000113.6D810 V811 G844 L845D810-A813 WeakPolarHBondContact O-CB 3.18Å; D810-A813 PolarHBondContact O-N 3.41Å; V811-A813 VanDerWaalsContact C-N 3.29Å; V811-A813 PolarHBondContact O-N 2.96Å; A813-G844 CarbonylContact O-C 3.58Å; A813-G844 VanDerWaalsContact O-CA 3.23Å; A813-G844 WeakPolarHBondContact O-CA 3.48Å; A813-L845 PolarHBondContact O-N 3.36Å
814E88Confident79Confident12 Ų1274.4 Ų74.46%0.05642%0.419CS..BIsolated β-bridgetrans-100.8140.9-178.3-68.2174.2-160.600111.4Y800 P802 S806 N808 V811 P816 L845Y800-E814 PolarHBondContact OH-OE2 3.37Å; P802-E814 HydrophobicContact CB-CB 3.92Å; P802-E814 HydrophobicContact CG-CB 3.81Å; S806-E814 WeakPolarHBondContact CB-OE2 3.26Å; S806-E814 VanDerWaalsContact OG-CD 3.23Å; S806-E814 PolarHBondContact OG-OE1 3.49Å; S806-E814 PolarHBondContact OG-OE2 3.11Å; N808-E814 PolarHBondContact ND2-OE1 2.97Å; V811-E814 PolarHBondContact O-N 3.13Å; E814-P816 WeakPolarHBondContact O-CD 3.46Å; E814-L845 WeakPolarHBondContact CA-O 3.45Å; E814-L845 HydrophobicContact CG-CB 4.36Å
815L88.6Confident79.9Confident4 Ų466.7 Ų66.72%0.02138%0.383CS..PPolyproline II helixtrans-87.9122.9-174.4-168.967.4000110.7F817 I823 L839 Q842 L845 V846L815-F817 WeakPolarHBondContact O-CD1 3.49Å; L815-I823 HydrophobicContact CD2-CG2 4.23Å; L815-L839 HydrophobicContact CD2-CB 3.78Å; L815-L839 HydrophobicContact CG-CB 4.36Å; L815-Q842 HydrophobicContact CD1-CB 3.82Å; L815-Q842 WeakPolarHBondContact CD1-O 3.43Å; L815-L845 PolarHBondContact N-O 3.04Å; L815-V846 HydrophobicContact CB-CG2 3.88Å; L815-V846 HydrophobicContact CD2-CG2 3.67Å; L815-V846 HydrophobicContact CG-CG2 4.42Å
816P89.4Confident80.8Confident65 Ų6566.5 Ų66.542%0.42238%0.375SS..PPolyproline II helixtrans-77.9137.8171.830.9-33.6000111.4P802 E814P802-P816 HydrophobicContact CG-CB 4.41Å; E814-P816 WeakPolarHBondContact O-CD 3.46Å
817F90.3Very high81.6Confident9 Ų966.5 Ų66.54%0.03938%0.379CS..BIsolated β-bridgetrans-155.3166.2179.657-97000112.8A796 Y800 L815 D821 I823 L839 V846 F850A796-F817 HydrophobicContact CB-CD2 3.41Å; A796-F817 VanDerWaalsContact CB-CD2 3.41Å; A796-F817 HydrophobicContact CB-CE2 3.74Å; A796-F817 HydrophobicContact CB-CG 4.41Å; Y800-F817 VanDerWaalsContact CB-CE2 3.43Å; Y800-F817 HydrophobicContact CD1-CD1 4.26Å; Y800-F817 AromaticContact CD1-CE1 3.59Å; Y800-F817 HydrophobicContact CD1-CE1 3.59Å; Y800-F817 AromaticContact CD1-CZ 3.95Å; Y800-F817 HydrophobicContact CD1-CZ 3.95Å; Y800-F817 AromaticContact CG-CE1 3.93Å; Y800-F817 HydrophobicContact CG-CE1 3.93Å; Y800-F817 HydrophobicContact CG-CE2 4.4Å; Y800-F817 AromaticContact CG-CZ 3.82Å; Y800-F817 HydrophobicContact CG-CZ 3.82Å; Y800-F817 PolarHBondContact N-O 2.8Å; Y800-F817 PolarHBondContact O-N 2.9Å; Y800-F817 VanDerWaalsContact O-N 3.1Å; Y800-F817 VanDerWaalsContact O-O 3.09Å; L815-F817 WeakPolarHBondContact O-CD1 3.49Å; F817-D821 HydrophobicContact CB-CB 4.37Å; F817-I823 HydrophobicContact CB-CD1 3.9Å; F817-I823 HydrophobicContact CD1-CD1 3.74Å; F817-I823 HydrophobicContact CD2-CD1 3.9Å; F817-I823 HydrophobicContact CE1-CD1 4.2Å; F817-I823 HydrophobicContact CE2-CD1 4.31Å; F817-I823 HydrophobicContact CG-CD1 3.58Å; F817-I823 HydrophobicContact CZ-CD1 4.45Å; F817-L839 HydrophobicContact CB-CD2 3.58Å; F817-V846 HydrophobicContact CD1-CG1 4.48Å; F817-V846 HydrophobicContact CE1-CG1 3.72Å; F817-V846 HydrophobicContact CZ-CG1 4.08Å; F817-F850 HydrophobicContact CE2-CB 3.86Å; F817-F850 HydrophobicContact CZ-CB 3.72Å; F817-F850 HydrophobicContact CZ-CG 4.42Å
818R89.6Confident82.4Confident162 Ų16262.7 Ų62.761%0.61136%0.362SS*.  trans-116.1156.8-179.5-68.9-175.8159.9-74.7-0.9112.2A796 D799 G820 D821A796-R818 WeakPolarHBondContact CB-O 3.25Å; D799-R818 WeakPolarHBondContact OD1-CA 3.4Å; D799-R818 WeakPolarHBondContact OD1-CB 3.42Å; D799-R818 IonicContact OD1-NH1 2.84Å; D799-R818 IonicContact OD2-NH1 2.75Å; R818-G820 PolarHBondContact O-N 2.64Å; R818-D821 PolarHBondContact N-OD2 3.11Å; R818-D821 WeakPolarHBondContact O-CB 3.47Å; R818-D821 PolarHBondContact O-N 3Å
819A89.3Confident83.4Confident56 Ų5663.6 Ų63.646%0.46337%0.365SS..THydrogen-bonded Turntrans-57.1124.3172.100000110.6A796 D799A796-A819 CarbonylContact O-C 3.56Å; A796-A819 WeakPolarHBondContact O-CA 3.49Å; D799-A819 PolarHBondContact OD1-N 2.84Å
820G84.4Confident84.7Confident51 Ų5157.9 Ų57.953%0.52634%0.338SS..THydrogen-bonded Turntrans96.9-9.2-174.100000115.5A796 R818A796-G820 PolarHBondContact O-N 3.03Å; R818-G820 PolarHBondContact O-N 2.64Å
821D90.6Very high85.5Confident46 Ų4660.3 Ų60.325%0.24635%0.351CS..  trans-66.9137.4175-77-24.2000111.3V795 A796 F817 R818 L839V795-D821 WeakPolarHBondContact CA-O 3.41Å; A796-D821 HydrophobicContact CB-CB 4.4Å; A796-D821 PolarHBondContact N-O 2.78Å; F817-D821 HydrophobicContact CB-CB 4.37Å; R818-D821 PolarHBondContact N-OD2 3.11Å; R818-D821 WeakPolarHBondContact O-CB 3.47Å; R818-D821 PolarHBondContact O-N 3Å; D821-L839 HydrophobicContact CB-CD1 4.06Å; D821-L839 HydrophobicContact CB-CD2 3.9Å
822V90.1Very high85.7Confident85 Ų8566 Ų6652%0.51538%0.381SS..EExtended strand (participates in β ladder)trans-96.7104.2178.7-176.30000109.3L839V822-L839 WeakPolarHBondContact O-CD1 3.36Å
823I91.6Very high86.2Confident0 Ų057.6 Ų57.60%035%0.345CS..EExtended strand (participates in β ladder)trans-99.8128.4-173.8-59.9164.7000108.5S793 M794 A796 L815 F817 V825 L839 V846 L851S793-I823 WeakPolarHBondContact CA-O 3.46Å; M794-I823 PolarHBondContact N-O 2.62Å; M794-I823 PolarHBondContact O-N 2.89Å; A796-I823 HydrophobicContact CB-CD1 4.16Å; L815-I823 HydrophobicContact CD2-CG2 4.23Å; F817-I823 HydrophobicContact CB-CD1 3.9Å; F817-I823 HydrophobicContact CD1-CD1 3.74Å; F817-I823 HydrophobicContact CD2-CD1 3.9Å; F817-I823 HydrophobicContact CE1-CD1 4.2Å; F817-I823 HydrophobicContact CE2-CD1 4.31Å; F817-I823 HydrophobicContact CG-CD1 3.58Å; F817-I823 HydrophobicContact CZ-CD1 4.45Å; I823-V825 HydrophobicContact CG2-CG2 4.43Å; I823-V825 PolarHBondContact O-N 2.81Å; I823-L839 HydrophobicContact CG1-CB 4.3Å; I823-L839 HydrophobicContact CG1-CD1 4.24Å; I823-L839 HydrophobicContact CG1-CD2 4.2Å; I823-L839 HydrophobicContact CG1-CG 4.48Å; I823-V846 HydrophobicContact CD1-CG1 4.22Å; I823-V846 HydrophobicContact CG2-CG1 4.47Å; I823-V846 HydrophobicContact CG2-CG2 4.08Å; I823-L851 HydrophobicContact CD1-CD2 3.69Å
824T91.6Very high86.7Confident47 Ų4757.2 Ų57.229%0.28833%0.334SS..EExtended strand (participates in β ladder)trans-85112.4175.1-57.60000109.2P791 F826 G837 E838P791-T824 HydrophobicContact CB-CG2 3.84Å; T824-F826 HydrophobicContact CG2-CE1 4.44Å; T824-F826 HydrophobicContact CG2-CE2 3.86Å; T824-F826 HydrophobicContact CG2-CZ 3.77Å; T824-F826 WeakPolarHBondContact O-CD2 3.16Å; T824-F826 VanDerWaalsContact O-CE2 3.24Å; T824-F826 WeakPolarHBondContact O-CE2 3.23Å; T824-G837 CarbonylContact O-C 3.58Å; T824-G837 VanDerWaalsContact O-CA 3.31Å; T824-G837 WeakPolarHBondContact O-CA 3.2Å; T824-E838 PolarHBondContact N-O 3.43Å; T824-E838 PolarHBondContact O-N 3.09Å
825V91.6Very high86.8Confident0 Ų058.3 Ų58.30%034%0.338CS..EExtended strand (participates in β ladder)trans-93.6138.3179.5165.40000110.9P791 H792 M794 I823 Y835 L851P791-V825 CarbonylContact C-O 3.58Å; P791-V825 VanDerWaalsContact CA-O 3.26Å; P791-V825 WeakPolarHBondContact CA-O 3.41Å; H792-V825 PolarHBondContact N-O 3.19Å; H792-V825 PolarHBondContact O-N 2.75Å; M794-V825 HydrophobicContact CG-CG2 4.33Å; M794-V825 HydrophobicContact SD-CB 4.42Å; M794-V825 HydrophobicContact SD-CG2 4.01Å; I823-V825 HydrophobicContact CG2-CG2 4.43Å; I823-V825 PolarHBondContact O-N 2.81Å; V825-Y835 HydrophobicContact CG1-CD1 3.41Å; V825-Y835 VanDerWaalsContact CG1-CD1 3.41Å; V825-Y835 HydrophobicContact CG1-CE1 4.08Å; V825-Y835 HydrophobicContact CG1-CG 3.73Å; V825-Y835 HydrophobicContact CG2-CG 4.25Å; V825-L851 HydrophobicContact CG2-CD1 3.89Å
826F87.1Confident86.9Confident59 Ų5963.3 Ų63.326%0.25936%0.358SS..EExtended strand (participates in β ladder)trans-115.2128.3-179.3-59.3-98.8000110.8P791 T824 Y836 E838P791-F826 HydrophobicContact CB-CD1 3.85Å; P791-F826 HydrophobicContact CB-CE1 3.82Å; P791-F826 HydrophobicContact CB-CZ 4.46Å; P791-F826 HydrophobicContact CG-CD1 3.63Å; P791-F826 HydrophobicContact CG-CE1 3.73Å; T824-F826 HydrophobicContact CG2-CE1 4.44Å; T824-F826 HydrophobicContact CG2-CE2 3.86Å; T824-F826 HydrophobicContact CG2-CZ 3.77Å; T824-F826 WeakPolarHBondContact O-CD2 3.16Å; T824-F826 VanDerWaalsContact O-CE2 3.24Å; T824-F826 WeakPolarHBondContact O-CE2 3.23Å; F826-Y836 HydrophobicContact CB-CD1 4.42Å; F826-Y836 HydrophobicContact CD2-CD1 4.41Å; F826-Y836 PolarHBondContact N-O 2.91Å; F826-E838 HydrophobicContact CE2-CB 3.63Å; F826-E838 HydrophobicContact CZ-CB 4.23Å
827G83.4Confident87Confident23 Ų2360.2 Ų60.224%0.23734%0.337CS..EExtended strand (participates in β ladder)trans79.8-151.4174.700000114.8K789K789-G827 VanDerWaalsContact CD-O 3.22Å; K789-G827 WeakPolarHBondContact CD-O 3.08Å
828G77.3Confident87.1Confident46 Ų4662.3 Ų62.347%0.47435%0.347SS..EExtended strand (participates in β ladder)trans-86.6175.7174.600000112.7
829M85Confident87.1Confident99 Ų9955.3 Ų55.349%0.48832%0.322SS..EExtended strand (participates in β ladder)trans-75.8142.6157.9-164.4-179.174.500107.7F834 Y835M829-F834 CarbonylContact C-O 3.58Å; M829-F834 VanDerWaalsContact CA-O 3.3Å; M829-F834 WeakPolarHBondContact CA-O 3.46Å; M829-F834 VanDerWaalsContact CG-O 3.24Å; M829-F834 WeakPolarHBondContact CG-O 3.48Å; M829-Y835 HydrophobicContact CB-CD1 4.04Å; M829-Y835 HydrophobicContact CB-CE1 3.58Å; M829-Y835 HydrophobicContact CG-CD1 4.44Å; M829-Y835 HydrophobicContact CG-CE1 4.2Å; M829-Y835 HydrophobicContact CG-CE2 4.41Å
830D84.6Confident86.8Confident59 Ų5959.7 Ų59.732%0.31634%0.338SS..  trans-79.9172.4172.956.344.9000112.5D832 G833 F834D830-D832 PolarHBondContact O-N 2.77Å; D830-D832 PolarHBondContact OD1-N 3.22Å; D830-G833 PolarHBondContact O-N 3.47Å; D830-G833 VanDerWaalsContact O-N 3.12Å; D830-G833 PolarHBondContact OD1-N 3.4Å; D830-F834 PolarHBondContact N-O 3.48Å; D830-F834 PolarHBondContact OD1-N 2.8Å; D830-F834 WeakPolarHBondContact OD2-CB 3.49Å
831D77.3Confident86.7Confident177 Ų17760 Ų6095%0.94734%0.341SS*.THydrogen-bonded Turntrans-66.3-18.9-178.7-66.4-51.1000113.1
832D77.4Confident86.5Confident145 Ų14563.7 Ų63.778%0.77536%0.357SS*.THydrogen-bonded Turntrans-88.7-7.9175.8-71.5-58.6000113D830 F834D830-D832 PolarHBondContact O-N 2.77Å; D830-D832 PolarHBondContact OD1-N 3.22Å; D832-F834 HydrophobicContact CB-CD2 4.17Å
833G84.7Confident86.4Confident15 Ų1566.6 Ų66.616%0.15536%0.358CS..SBendtrans92.118.817500000115.3D830 S848D830-G833 PolarHBondContact O-N 3.47Å; D830-G833 VanDerWaalsContact O-N 3.12Å; D830-G833 PolarHBondContact OD1-N 3.4Å; G833-S848 WeakPolarHBondContact O-CB 3.35Å; G833-S848 PolarHBondContact O-N 2.94Å; G833-S848 VanDerWaalsContact O-N 3.12Å; G833-S848 PolarHBondContact O-OG 2.96Å
834F88.8Confident86.4Confident41 Ų4166.8 Ų66.818%0.1836%0.36CS..EExtended strand (participates in β ladder)trans-103164.4175.4-66.5-107.2000111.6M829 D830 D832 L845 V846 P847M829-F834 CarbonylContact C-O 3.58Å; M829-F834 VanDerWaalsContact CA-O 3.3Å; M829-F834 WeakPolarHBondContact CA-O 3.46Å; M829-F834 VanDerWaalsContact CG-O 3.24Å; M829-F834 WeakPolarHBondContact CG-O 3.48Å; D830-F834 PolarHBondContact N-O 3.48Å; D830-F834 PolarHBondContact OD1-N 2.8Å; D830-F834 WeakPolarHBondContact OD2-CB 3.49Å; D832-F834 HydrophobicContact CB-CD2 4.17Å; F834-L845 HydrophobicContact CB-CB 4.4Å; F834-L845 HydrophobicContact CB-CD2 4.49Å; F834-L845 HydrophobicContact CD1-CB 4.03Å; F834-V846 CarbonylContact C-O 3.6Å; F834-V846 WeakPolarHBondContact CA-O 3.44Å; F834-P847 HydrophobicContact CD1-CB 4.07Å; F834-P847 HydrophobicContact CD1-CG 4.11Å; F834-P847 HydrophobicContact CE1-CB 3.9Å; F834-P847 HydrophobicContact CE1-CG 3.76Å
835Y90.1Very high86.3Confident36 Ų3667.3 Ų67.314%0.14136%0.361CS..EExtended strand (participates in β ladder)trans-119144.1170.9-74.3-68.8000109.4M794 V825 M829 G837 L845 V846 L851M794-Y835 HydrophobicContact CE-CE2 4.39Å; M794-Y835 HydrophobicContact SD-CE2 4.17Å; V825-Y835 HydrophobicContact CG1-CD1 3.41Å; V825-Y835 VanDerWaalsContact CG1-CD1 3.41Å; V825-Y835 HydrophobicContact CG1-CE1 4.08Å; V825-Y835 HydrophobicContact CG1-CG 3.73Å; V825-Y835 HydrophobicContact CG2-CG 4.25Å; M829-Y835 HydrophobicContact CB-CD1 4.04Å; M829-Y835 HydrophobicContact CB-CE1 3.58Å; M829-Y835 HydrophobicContact CG-CD1 4.44Å; M829-Y835 HydrophobicContact CG-CE1 4.2Å; M829-Y835 HydrophobicContact CG-CE2 4.41Å; Y835-G837 PolarHBondContact O-N 3.44Å; Y835-L845 CarbonylContact O-C 3.59Å; Y835-L845 WeakPolarHBondContact O-CA 3.34Å; Y835-V846 PolarHBondContact N-O 3.3Å; Y835-V846 PolarHBondContact O-N 3.42Å; Y835-L851 HydrophobicContact CD2-CD1 3.79Å; Y835-L851 HydrophobicContact CE2-CD1 4.32Å
836Y90.8Very high86.3Confident109 Ų10967.3 Ų67.343%0.42736%0.361SS..EExtended strand (participates in β ladder)trans-80116.4166-165.4-99.4000109.3F826 R843 L845F826-Y836 HydrophobicContact CB-CD1 4.42Å; F826-Y836 HydrophobicContact CD2-CD1 4.41Å; F826-Y836 PolarHBondContact N-O 2.91Å; Y836-R843 HydrophobicContact CE1-CB 4.35Å; Y836-L845 HydrophobicContact CD2-CD2 4.4Å
837G91.5Very high86.4Confident0 Ų064.9 Ų64.90%035%0.351CS..EExtended strand (participates in β ladder)trans-126.6157.1-17200000114.3T824 Y835 R843 G844T824-G837 CarbonylContact O-C 3.58Å; T824-G837 VanDerWaalsContact O-CA 3.31Å; T824-G837 WeakPolarHBondContact O-CA 3.2Å; Y835-G837 PolarHBondContact O-N 3.44Å; G837-R843 VanDerWaalsContact O-CA 3.31Å; G837-R843 WeakPolarHBondContact O-CA 3.36Å; G837-G844 PolarHBondContact N-O 2.87Å; G837-G844 PolarHBondContact O-N 2.78Å; G837-G844 VanDerWaalsContact O-N 3.07Å
838E92.3Very high86.5Confident52 Ų5265 Ų6524%0.24335%0.348CS..EExtended strand (participates in β ladder)trans-124.6132.7170.1-169.8176.6152.300111T824 F826 Q842 R843T824-E838 PolarHBondContact N-O 3.43Å; T824-E838 PolarHBondContact O-N 3.09Å; F826-E838 HydrophobicContact CE2-CB 3.63Å; F826-E838 HydrophobicContact CZ-CB 4.23Å; E838-Q842 VanDerWaalsContact CA-O 3.27Å; E838-Q842 WeakPolarHBondContact CA-O 3.45Å; E838-Q842 WeakPolarHBondContact CG-O 3.34Å; E838-R843 HydrophobicContact CB-CG 3.95Å; E838-R843 HydrophobicContact CG-CG 3.8Å; E838-R843 IonicContact OE2-CZ 2.88Å; E838-R843 IonicContact OE2-NE 2.8Å; E838-R843 PolarHBondContact OE2-NE 3.05Å; E838-R843 IonicContact OE2-NH2 2.94Å; E838-R843 PolarHBondContact OE2-NH2 2.81Å
839L89.3Confident87Confident16 Ų1669.3 Ų69.38%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-140129.7174.3-179.464.7000108.6L815 F817 D821 V822 I823 G841 Q842L815-L839 HydrophobicContact CD2-CB 3.78Å; L815-L839 HydrophobicContact CG-CB 4.36Å; F817-L839 HydrophobicContact CB-CD2 3.58Å; D821-L839 HydrophobicContact CB-CD1 4.06Å; D821-L839 HydrophobicContact CB-CD2 3.9Å; V822-L839 WeakPolarHBondContact O-CD1 3.36Å; I823-L839 HydrophobicContact CG1-CB 4.3Å; I823-L839 HydrophobicContact CG1-CD1 4.24Å; I823-L839 HydrophobicContact CG1-CD2 4.2Å; I823-L839 HydrophobicContact CG1-CG 4.48Å; L839-G841 PolarHBondContact O-N 3.36Å; L839-Q842 PolarHBondContact N-O 3.46Å; L839-Q842 PolarHBondContact O-N 3.04Å
840N84.1Confident87Confident148 Ų14867.3 Ų67.379%0.79135%0.349SS*.THydrogen-bonded Turntrans5229.3179.7-60.7-43.7000114.7Q842N840-Q842 VanDerWaalsContact C-N 3.28Å; N840-Q842 PolarHBondContact O-N 3Å
841G82.2Confident87.2Confident58 Ų5865.4 Ų65.460%0.59834%0.339SS*.THydrogen-bonded Turntrans79.30-176.800000115.3L839L839-G841 PolarHBondContact O-N 3.36Å
842Q84.8Confident87.6Confident122 Ų12263.3 Ų63.357%0.5732%0.323SS*.EExtended strand (participates in β ladder)trans-91.7141.3169.5-62.6-176.11.400109.6L815 E838 L839 N840L815-Q842 HydrophobicContact CD1-CB 3.82Å; L815-Q842 WeakPolarHBondContact CD1-O 3.43Å; E838-Q842 VanDerWaalsContact CA-O 3.27Å; E838-Q842 WeakPolarHBondContact CA-O 3.45Å; E838-Q842 WeakPolarHBondContact CG-O 3.34Å; L839-Q842 PolarHBondContact N-O 3.46Å; L839-Q842 PolarHBondContact O-N 3.04Å; N840-Q842 VanDerWaalsContact C-N 3.28Å; N840-Q842 PolarHBondContact O-N 3Å
843R89.8Confident87.3Confident146 Ų14658.5 Ų58.555%0.55131%0.308SS*.EExtended strand (participates in β ladder)trans-120.4141.4-179.1-69.7-178.6172.9-175-2.2111Y836 G837 E838Y836-R843 HydrophobicContact CE1-CB 4.35Å; G837-R843 VanDerWaalsContact O-CA 3.31Å; G837-R843 WeakPolarHBondContact O-CA 3.36Å; E838-R843 HydrophobicContact CB-CG 3.95Å; E838-R843 HydrophobicContact CG-CG 3.8Å; E838-R843 IonicContact OE2-CZ 2.88Å; E838-R843 IonicContact OE2-NE 2.8Å; E838-R843 PolarHBondContact OE2-NE 3.05Å; E838-R843 IonicContact OE2-NH2 2.94Å; E838-R843 PolarHBondContact OE2-NH2 2.81Å
844G89.9Confident86Confident4 Ų461.8 Ų61.84%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-175.5-178.8177.300000112.6A813 G837A813-G844 CarbonylContact O-C 3.58Å; A813-G844 VanDerWaalsContact O-CA 3.23Å; A813-G844 WeakPolarHBondContact O-CA 3.48Å; G837-G844 PolarHBondContact N-O 2.87Å; G837-G844 PolarHBondContact O-N 2.78Å; G837-G844 VanDerWaalsContact O-N 3.07Å
845L91.1Very high83.7Confident58 Ų5862.7 Ų62.730%0.30435%0.348SS..EExtended strand (participates in β ladder)trans-75139.2172.5-62.4175.1000110.6A813 E814 L815 F834 Y835 Y836A813-L845 PolarHBondContact O-N 3.36Å; E814-L845 WeakPolarHBondContact CA-O 3.45Å; E814-L845 HydrophobicContact CG-CB 4.36Å; L815-L845 PolarHBondContact N-O 3.04Å; F834-L845 HydrophobicContact CB-CB 4.4Å; F834-L845 HydrophobicContact CB-CD2 4.49Å; F834-L845 HydrophobicContact CD1-CB 4.03Å; Y835-L845 CarbonylContact O-C 3.59Å; Y835-L845 WeakPolarHBondContact O-CA 3.34Å; Y836-L845 HydrophobicContact CD2-CD2 4.4Å
846V90.1Very high81.4Confident0 Ų067 Ų670%038%0.38CS..EExtended strand (participates in β ladder)trans-129.2116.8-174.3179.70000108.3L815 F817 I823 F834 Y835 S848 L851L815-V846 HydrophobicContact CB-CG2 3.88Å; L815-V846 HydrophobicContact CD2-CG2 3.67Å; L815-V846 HydrophobicContact CG-CG2 4.42Å; F817-V846 HydrophobicContact CD1-CG1 4.48Å; F817-V846 HydrophobicContact CE1-CG1 3.72Å; F817-V846 HydrophobicContact CZ-CG1 4.08Å; I823-V846 HydrophobicContact CD1-CG1 4.22Å; I823-V846 HydrophobicContact CG2-CG1 4.47Å; I823-V846 HydrophobicContact CG2-CG2 4.08Å; F834-V846 CarbonylContact C-O 3.6Å; F834-V846 WeakPolarHBondContact CA-O 3.44Å; Y835-V846 PolarHBondContact N-O 3.3Å; Y835-V846 PolarHBondContact O-N 3.42Å; V846-S848 PolarHBondContact O-N 2.85Å; V846-L851 HydrophobicContact CG1-CD1 3.68Å; V846-L851 HydrophobicContact CG1-CD2 3.72Å; V846-L851 HydrophobicContact CG1-CG 3.84Å
847P89.2Confident79Confident9 Ų971.3 Ų71.36%0.05840%0.404CS..EExtended strand (participates in β ladder)trans-69.2124.5-176.8-616.2000111.2Y800 F834 N849 F850Y800-P847 HydrophobicContact CD1-CG 4.12Å; Y800-P847 HydrophobicContact CD2-CG 4.26Å; Y800-P847 HydrophobicContact CE1-CG 3.56Å; Y800-P847 HydrophobicContact CE2-CG 3.75Å; Y800-P847 HydrophobicContact CG-CG 4.44Å; F834-P847 HydrophobicContact CD1-CB 4.07Å; F834-P847 HydrophobicContact CD1-CG 4.11Å; F834-P847 HydrophobicContact CE1-CB 3.9Å; F834-P847 HydrophobicContact CE1-CG 3.76Å; P847-N849 PolarHBondContact O-N 3.1Å; P847-N849 VanDerWaalsContact O-N 3.14Å; P847-F850 HydrophobicContact CB-CD2 3.99Å; P847-F850 HydrophobicContact CG-CD2 4.28Å; P847-F850 PolarHBondContact O-N 3.22Å
848S86.3Confident76.3Confident24 Ų2475.7 Ų75.717%0.16844%0.44CS..G310 helixtrans-55-36-176.358.30000114G833 V846 F850 L851G833-S848 WeakPolarHBondContact O-CB 3.35Å; G833-S848 PolarHBondContact O-N 2.94Å; G833-S848 VanDerWaalsContact O-N 3.12Å; G833-S848 PolarHBondContact O-OG 2.96Å; V846-S848 PolarHBondContact O-N 2.85Å; S848-F850 PolarHBondContact O-N 3.02Å; S848-L851 PolarHBondContact O-N 3.23Å
849N87.8Confident73.5Confident138 Ų13877.6 Ų77.674%0.73847%0.474SS*.G310 helixtrans-60.5-14179.3-65.8-68.4000114.9P847P847-N849 PolarHBondContact O-N 3.1Å; P847-N849 VanDerWaalsContact O-N 3.14Å
850F85.6Confident70.8Confident56 Ų5680.5 Ų80.525%0.24651%0.508CS..G310 helixtrans-103-2-179.9-73.1-110.8000112.7A796 A797 F798 Y800 F817 P847 S848A796-F850 CarbonylContact C-O 3.53Å; A796-F850 WeakPolarHBondContact CA-O 3.48Å; A797-F850 PolarHBondContact N-O 2.92Å; F798-F850 HydrophobicContact CB-CD1 3.88Å; F798-F850 HydrophobicContact CB-CE1 4.31Å; Y800-F850 AromaticContact CD2-CD1 3.89Å; Y800-F850 HydrophobicContact CD2-CD1 3.89Å; Y800-F850 HydrophobicContact CD2-CD2 4.39Å; Y800-F850 AromaticContact CD2-CE1 3.64Å; Y800-F850 HydrophobicContact CD2-CE1 3.64Å; Y800-F850 HydrophobicContact CD2-CE2 4.16Å; Y800-F850 HydrophobicContact CD2-CG 4.29Å; Y800-F850 AromaticContact CD2-CZ 3.78Å; Y800-F850 HydrophobicContact CD2-CZ 3.78Å; Y800-F850 HydrophobicContact CE2-CE1 4.46Å; Y800-F850 HydrophobicContact CE2-CE2 4.28Å; Y800-F850 HydrophobicContact CE2-CZ 4.15Å; Y800-F850 HydrophobicContact CG-CD1 4.31Å; Y800-F850 HydrophobicContact CG-CE1 4.44Å; F817-F850 HydrophobicContact CE2-CB 3.86Å; F817-F850 HydrophobicContact CZ-CB 3.72Å; F817-F850 HydrophobicContact CZ-CG 4.42Å; P847-F850 HydrophobicContact CB-CD2 3.99Å; P847-F850 HydrophobicContact CG-CD2 4.28Å; P847-F850 PolarHBondContact O-N 3.22Å; S848-F850 PolarHBondContact O-N 3.02Å
851L87.2Confident68.6Low20 Ų2081.6 Ų81.611%0.10551%0.513CS..EExtended strand (participates in β ladder)trans-107.5134.7-179.2-58.2-173.6000112.1M794 I823 V825 Y835 V846 S848M794-L851 HydrophobicContact CB-CB 4.25Å; M794-L851 HydrophobicContact CB-CD1 4.04Å; M794-L851 HydrophobicContact CE-CB 3.69Å; M794-L851 HydrophobicContact CE-CD1 4.17Å; M794-L851 HydrophobicContact SD-CB 4.36Å; M794-L851 HydrophobicContact SD-CD1 3.78Å; I823-L851 HydrophobicContact CD1-CD2 3.69Å; V825-L851 HydrophobicContact CG2-CD1 3.89Å; Y835-L851 HydrophobicContact CD2-CD1 3.79Å; Y835-L851 HydrophobicContact CE2-CD1 4.32Å; V846-L851 HydrophobicContact CG1-CD1 3.68Å; V846-L851 HydrophobicContact CG1-CD2 3.72Å; V846-L851 HydrophobicContact CG1-CG 3.84Å; S848-L851 PolarHBondContact O-N 3.23Å
852E85.9Confident66.2Low132 Ų13286 Ų8662%0.61752%0.523SS*.EExtended strand (participates in β ladder)trans-100.1139.6165.2-168.2159.4-153.300109.8V795 A797V795-E852 PolarHBondContact N-O 3.45Å; V795-E852 PolarHBondContact O-N 2.88Å; A797-E852 HydrophobicContact CB-CB 4.32Å
853G71.9Confident63.5Low44 Ų4491.7 Ų91.745%0.45454%0.539SS..PPolyproline II helixtrans-70.1150.5-179.500000111.9G855G853-G855 PolarHBondContact O-N 3.28Å
854P58.2Low60.7Low85 Ų8593.1 Ų93.155%0.55255%0.552SS**PPolyproline II helixtrans-63120.2177.127.6-34.4000110.2S793S793-P854 WeakPolarHBondContact O-CD 3.46Å; S793-P854 VanDerWaalsContact O-CG 3.29Å; S793-P854 WeakPolarHBondContact O-CG 3.19Å
855G39.1Very low58.6Low60 Ų6097.5 Ų97.562%0.61958%0.58SS**PPolyproline II helixtrans-60146.8169.800000110.8G853 E857G853-G855 PolarHBondContact O-N 3.28Å; G855-E857 PolarHBondContact O-N 2.9Å
856P41.9Very low55.5Low127 Ų127106.6 Ų106.683%0.82561%0.61SS**PPolyproline II helixtrans-67.5126.2-173.926.6-34.2000112.1A858P856-A858 PolarHBondContact O-N 3.47Å
857E41.6Very low52.7Low199 Ų199113 Ų11393%0.9365%0.649SS**  trans-55.9101.7170.5-83.5-79.212800111.6G855G855-E857 PolarHBondContact O-N 2.9Å
858A34.9Very low50.5Low91 Ų91118.3 Ų118.375%0.75268%0.684SS**  trans-155.5115.1167.500000110.9P856P856-A858 PolarHBondContact O-N 3.47Å
859G33.5Very low47.6Very low93 Ų93126.6 Ų126.696%0.95972%0.72SS**  trans-72132.5176.600000112.8
860G30.8Very low44.9Very low77 Ų77123.9 Ų123.979%0.79472%0.717SS**  trans-170.2154.5177.800000112.2
861L38.1Very low42.2Very low171 Ų171130.8 Ų130.890%0.89575%0.75SS**  trans-99.1156.2-175.1-73.7161.6000112.9
862D31.9Very low39.6Very low151 Ų151134.7 Ų134.781%0.80778%0.779SS**  trans60103.6156.3-92.8-18000119.6
863R29.6Very low37.1Very low241 Ų241138 Ų13891%0.90979%0.794SS**  174.8137.7101.3-97.5-179.2176.2-166.6-2.2116.1
864E29.2Very low35.2Very low176 Ų176147.1 Ų147.182%0.82282%0.815SS**  trans-87.1176.4154.3-106-15012100111.2
865P47.6Very low33.9Very low95 Ų95149.7 Ų149.762%0.61783%0.829SS**  cis-135.7151.9-38.733.4-17.7000113.3
866R25.6Very low33.6Very low250 Ų250157.8 Ų157.894%0.94384%0.841SS**  trans-149.5136.3155.9-76.3-160.4174.9153.62.1113.8
867T30Very low33.2Very low134 Ų134163.6 Ų163.682%0.82285%0.846SS**  trans-126176164.257.40000108.2
868P44.1Very low32.8Very low121 Ų121165.3 Ų165.379%0.78684%0.844SS**  cis-121.2171.4-29.636.2-23.6000111.7
869Q26Very low32.6Very low197 Ų197171.7 Ų171.792%0.92185%0.849SS**  trans-140.1137.1141.6-170164.4-22.900109
870A30.8Very low32.5Very low82 Ų82173.3 Ų173.368%0.67884%0.84SS**  trans-113.5146.8-175.300000110.5
871E28.1Very low32.5Very low201 Ų201178 Ų17894%0.93984%0.841SS**  trans-137.9141.9148.5-135.8165.8-136.100109
872S32.2Very low32.3Very low102 Ų102179.2 Ų179.271%0.71386%0.862SS**  trans-112.3121.9-165.1-66.60000112.3
873Q33.8Very low32.3Very low201 Ų201180.6 Ų180.694%0.93986%0.864SS**  trans-107.2120.8150.2-65.1-147.313.500109.1
874R32.1Very low32.5Very low236 Ų236177.4 Ų177.489%0.89186%0.862SS**  trans-110.293.3-155.7-171.8-179.2-172.4179.74.3109.7R876R874-R876 PolarHBondContact O-N 2.83Å
875T32.1Very low32.6Very low138 Ų138177.5 Ų177.585%0.84786%0.864SS**  trans-56.9109.3179420000110.7R877T875-R877 PolarHBondContact O-N 2.93Å
876R31.9Very low31.7Very low231 Ų231182.4 Ų182.487%0.87288%0.879SS**  trans-86.579.6-164.5-165.8178.5-172.6-179.33.4110.5R874 R878R874-R876 PolarHBondContact O-N 2.83Å; R876-R878 PolarHBondContact O-N 2.78Å
877R34.2Very low32.1Very low248 Ų248178.1 Ų178.194%0.93688%0.875SS**  trans-45.5103.2173.4-82.6-169.8169.5-151.7-4.2110.9T875 R879T875-R877 PolarHBondContact O-N 2.93Å; R877-R879 PolarHBondContact O-N 2.93Å
878R33.1Very low32.3Very low236 Ų236181.1 Ų181.189%0.89188%0.878SS**  trans-78.2100167.5-86.8-173.3164.9-171.5-4.1108R876 V880R876-R878 PolarHBondContact O-N 2.78Å; R878-V880 PolarHBondContact O-N 3.33Å; R878-V880 VanDerWaalsContact O-N 3.12Å
879R30.3Very low31.4Very low224 Ų224185.4 Ų185.485%0.84589%0.885SS**  trans-60.9110160.2177.4-177.8-71.6-168.3-3.8107.1R877R877-R879 PolarHBondContact O-N 2.93Å
880V31.4Very low31.9Very low127 Ų127184.5 Ų184.577%0.7788%0.882SS**  trans-66.3136.1163.9179.60000107.1R878R878-V880 PolarHBondContact O-N 3.33Å; R878-V880 VanDerWaalsContact O-N 3.12Å
881Q31.1Very low31.9Very low177 Ų177193 Ų19383%0.82790%0.899SS**  trans-134.580.3179.2-172.6175.413.400108.8
882C33.2Very low32.3Very low195 Ų195192.3 Ų192.3100%1.31890%0.895SS**  trans-134.50158.3-69.60000105.3

Retrieved 882 of 882 residues in 441.7 ms (Link to these results)