A0A096NGI5_PAPAN Loading...

Zinc finger protein 512

May be involved in transcriptional regulation.

AlphaFold DB (A0A2K6P875), UniProt , Accession A0A096NGI5, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF512, Length 566 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low38.8Very low240 Ų240137.5 Ų137.5100%1.18284%0.841SS**  01450-69.4-55177.600108.9
2S37.1Very low38.3Very low109 Ų109136.9 Ų136.976%0.76285%0.847SS**  trans-53.2145.6-166.7-42.40000114
3S38.3Very low37.7Very low110 Ų110132 Ų13277%0.76984%0.84SS**  cis64.3135.343.4-510000112.2
4R42.6Very low38.7Very low222 Ų222131.6 Ų131.684%0.83884%0.838SS**  cis-148.7165.228.9-75.9-177.6169-170.2-4.1113.3
5L40.9Very low38.3Very low165 Ų165132.3 Ų132.386%0.86484%0.841SS**  trans17.4145.9131.2-41.5169.9000118.5
6G33.8Very low38.1Very low77 Ų77131.6 Ų131.679%0.79484%0.835SS**  cis-179.6-158.7800000108.1
7A35.3Very low37.6Very low103 Ų103134.9 Ų134.985%0.85183%0.834SS**  cis-163.4-169-8.300000108.7
8V39.3Very low37.1Very low133 Ų133137.9 Ų137.981%0.80683%0.833SS**  trans-136.4144.4176.8-169.80000110.8
9P48.2Very low37Very low132 Ų132140 Ų14086%0.85783%0.833SS**  -140.4-174.9128.538.7-25.3000113.2
10A35.1Very low36.8Very low81 Ų81142.8 Ų142.867%0.66984%0.837SS**  trans-133.3167.3-165.500000115.2
11T37.2Very low36.6Very low140 Ų140146.5 Ų146.586%0.85984%0.837SS**  trans53.2122.5155.653.60000121.2
12S32.4Very low36.2Very low131 Ų131141 Ų14192%0.91682%0.822SS**  -159.6167.7124.252.50000110
13G31Very low36Very low73 Ų73141 Ų14175%0.75382%0.818SS**  trans-111.1-123.4-164.300000116.5
14P51.4Low35.6Very low126 Ų126147 Ų14782%0.81882%0.824SS**  -121.2160.4-123.539-27.5000115.6
15T33.1Very low35Very low142 Ų142143.1 Ų143.187%0.87182%0.818SS**  trans-134.7144167.748.10000112.5
16T33.9Very low34.6Very low122 Ų122142 Ų14275%0.74882%0.818SS**  trans-118.4-166.7176.653.80000110.1
17F29.5Very low34.2Very low188 Ų188142.2 Ų142.283%0.82582%0.819SS**  trans77.7150.6-172.7-63-91000114.8
18K30.2Very low34Very low188 Ų188141.8 Ų141.882%0.81782%0.816SS**  cis-140.2152.35.9-152.5143.9-176.6175.80111.9
19Q34.8Very low33.7Very low178 Ų178145.4 Ų145.483%0.83282%0.821SS**  trans-73.9154.4167-65.8176.1-12.700111
20Q31.9Very low32.8Very low195 Ų195147.3 Ų147.391%0.91182%0.824SS**  trans-138.4111.3154.9-164.1162.2-11.500111
21R33Very low32.6Very low221 Ų221149.4 Ų149.483%0.83483%0.834SS**  trans-80153.1165.4-85.2176.9162.9173.4-5.8109.4
22S30.5Very low32.2Very low124 Ų124152.7 Ų152.787%0.86783%0.83SS**  trans-138.4144152.2-169.70000109.6
23T33.1Very low32.1Very low109 Ų109152.9 Ų152.967%0.66983%0.826SS**  trans-150.7122.8-172.649.60000110.9
24R29.6Very low32.2Very low238 Ų238156.3 Ų156.390%0.89882%0.823SS**  trans-172.1155.7157.2-99.2158-162.2-146.64.7107.2
25I31.3Very low31Very low140 Ų140155.7 Ų155.772%0.71882%0.82SS**  cis168.7124.2-36.1-100.6164.1000104.1
26V31.1Very low30.6Very low142 Ų142154 Ų15486%0.86181%0.813SS**  trans56.5130.7158.2177.80000119.9
27G25.5Very low30.4Very low80 Ų80154.3 Ų154.383%0.82581%0.809SS**  trans-170.774.2166.900000112.1
28A32Very low30.4Very low94 Ų94155.2 Ų155.278%0.77781%0.813SS**  trans-92.8136.9-177.100000112.6
29K33.7Very low30.2Very low210 Ų210152.9 Ų152.991%0.91381%0.809SS**  trans-143.4130.3164.1-71.3-167.3176.6-178.60111.3
30N28.8Very low29.8Very low171 Ų171151.9 Ų151.991%0.91481%0.81SS**  trans-81.1151.1169.2-78.4-30.5000111
31S30Very low29.6Very low126 Ų126146.7 Ų146.788%0.88180%0.795SS**  trans-143.1153.5150.2610000109.4
32R29.3Very low29.2Very low209 Ų209145.2 Ų145.279%0.78980%0.795SS**  trans-146.6122.9-153.6172.2-172.6175.5178.80.1113.2
33T31Very low29.2Very low135 Ų135147 Ų14783%0.82879%0.79SS**  trans-157.9120.5165.221.80000105.9
34Q32Very low28.8Very low145 Ų145152.3 Ų152.368%0.67880%0.799SS**  54.1133.751.4-66.9-163.9-28.900113.1
35C26.7Very low28.9Very low112 Ų112146.8 Ų146.876%0.75779%0.792SS**  cis-158.5177.9-5.2-120.20000108.8
36S25.5Very low28.9Very low106 Ų106147.8 Ų147.874%0.74180%0.797SS**  cis-151.1167.510.2-171.40000111.1
37I30Very low29.3Very low129 Ų129146.9 Ų146.966%0.66279%0.794SS**  trans-77.8154.1159-66.9164.1000110.1D39I37-D39 VanDerWaalsContact CG2-OD2 3.23Å; I37-D39 WeakPolarHBondContact CG2-OD2 3.09Å
38K28.1Very low29.6Very low207 Ų207151.2 Ų151.290%0.979%0.792SS**  trans-143.2104.3146.2-77.7-159.3176.6-171.30110.6
39D27.6Very low29.3Very low139 Ų139154 Ų15474%0.74379%0.794SS**  trans-69.6162159.6-59-77000110.5I37I37-D39 VanDerWaalsContact CG2-OD2 3.23Å; I37-D39 WeakPolarHBondContact CG2-OD2 3.09Å
40N24.6Very low29Very low158 Ų158150.2 Ų150.285%0.84578%0.784SS**  trans-148.5108.9148.1-14616.3000109.7
41S28.8Very low29.1Very low86 Ų86146.8 Ų146.860%0.60177%0.773SS**  trans-82.1149.8172.4179.70000109.7
42F25.1Very low29.1Very low190 Ų190149 Ų14983%0.83378%0.775SS**  trans-152.5123.3138-106.1-70.5000110.2
43Q29.7Very low29Very low161 Ų161144.9 Ų144.975%0.75278%0.778SS**  trans-83.8154.6164.6-63.1167.4-78.600109
44Y25.7Very low28.7Very low220 Ų220141.5 Ų141.586%0.86377%0.77SS**  trans-143.7136.7142.4-111.2-78.9000110.1
45T31.2Very low28.6Very low122 Ų122140.2 Ų140.275%0.74878%0.777SS**  trans-88.6159.1174.636.80000110.8
46I30.1Very low28.6Very low161 Ų161139.9 Ų139.983%0.82678%0.776SS**  trans-118.6125.9170.1-61179.3000107.3
47P40Very low28.7Very low123 Ų123139.9 Ų139.980%0.79978%0.776SS**  trans-72172.3177.2-1933.2000114.1
48H31Very low28.5Very low171 Ų171138.7 Ų138.779%0.79279%0.785SS**  trans-119.9138.6173.4-164.1-68.2000107.4
49D26.8Very low28.4Very low153 Ų153134.9 Ų134.982%0.81879%0.785SS**  trans-159.1174.5167.3-132.9-53.2000111.6
50D27.9Very low28.4Very low130 Ų130133 Ų13370%0.69578%0.783SS**  trans-105.5164.2-137.6-110.8-33.2000119.7
51S31Very low28.3Very low99 Ų99131.5 Ų131.569%0.69278%0.783SS**  trans59.1129150.2-70.70000122.5
52L28.1Very low28.1Very low173 Ų173135.4 Ų135.491%0.90679%0.792SS**  -161.6163.9106.5-104.9173.8000112.4
53S28.8Very low29.1Very low122 Ų122131.4 Ų131.485%0.85379%0.785SS**  trans-103.4162.9-163.1-49.50000115.2
54G24.6Very low28.8Very low65 Ų65131.1 Ų131.167%0.6779%0.794SS**  trans173.792.6163.500000117.3
55S28.5Very low29.4Very low118 Ų118125.9 Ų125.983%0.82579%0.789SS**  trans51.9137147.147.50000121.2
56S26.9Very low29.2Very low104 Ų104127.6 Ų127.673%0.72779%0.794SS**  cis-162.8165.1-0.8-86.50000111
57S27.6Very low29.2Very low107 Ų107129.9 Ų129.975%0.74880%0.798SS**  trans27.9108.915457.90000118.4
58A26.4Very low28.7Very low103 Ų103128.8 Ų128.885%0.85179%0.791SS**  57.6108.756.100000115
59S25.4Very low28.8Very low128 Ų128124.7 Ų124.790%0.89579%0.787SS**  trans-157.9153.6138.8-165.50000110.5
60S27.4Very low29.5Very low100 Ų100122.7 Ų122.770%0.69979%0.785SS**  trans-103.4147.8174.8178.60000109.8
61C23.3Very low29.7Very low125 Ų125125.6 Ų125.685%0.84579%0.792SS**  176.8145.4123.7-88.80000112.7
62E23.6Very low30.3Very low169 Ų169132.5 Ų132.579%0.7980%0.803SS**  trans-86.1-172.4160.3-70.4-95.8139.200108.9
63P46.4Very low30.6Very low106 Ų106132 Ų13269%0.68879%0.793SS**  -129.2153-60.335.8-22.4000111.9
64V24.3Very low31.1Very low154 Ų154129.9 Ų129.993%0.93378%0.778SS**  trans-139.4143.4163.4-148.70000111.4
65S38Very low31.9Very low111 Ų111132.8 Ų132.878%0.77678%0.783SS**  trans-89.3136.7174.7-590000110.2
66D26.9Very low32.4Very low158 Ų158135.1 Ų135.185%0.84578%0.775SS**  trans-158.1148.5149.2-121.8-32.1000113
67F30.1Very low33.2Very low208 Ų208134.3 Ų134.391%0.91276%0.756SS**  trans-127.595.3-177.1-112.5-67.7000111.7
68P30.2Very low34.2Very low100 Ų100133.4 Ų133.465%0.64974%0.741SS**  trans-83.1146.7163.1-14.431.7000111.8
69A31.6Very low35.2Very low86 Ų86137.2 Ų137.271%0.71174%0.739SS**  trans-89.4158.5-171.400000115.2
70S43.5Very low35.8Very low110 Ų110137.8 Ų137.877%0.76973%0.729SS**  trans7343.4150.775.30000120.3R72S70-R72 PolarHBondContact O-N 3.28Å
71F31.7Very low37Very low191 Ų191141.5 Ų141.584%0.83873%0.728SS**  trans-61125.1168-74.1-79.8000113
72R42.6Very low37.8Very low244 Ų244147 Ų14792%0.92173%0.73SS**  trans-72.1133.8-171.3-64.3-176.4179.1-164.70.3111.9S70 S74S70-R72 PolarHBondContact O-N 3.28Å; R72-S74 PolarHBondContact O-N 3.41Å
73K35.2Very low39.1Very low162 Ų162144 Ų14470%0.70472%0.718SS**  trans-71.2115.3-178.9-49.8174.9-179.8172.80111W77K73-W77 HydrophobicContact CB-CZ2 4.31Å; K73-W77 HydrophobicContact CD-CZ2 3.91Å; K73-W77 PolarHBondContact O-NE1 2.62Å
74S38.6Very low38.7Very low78 Ų78148 Ų14855%0.54573%0.725SS.*  trans-42.6136-174.1174.10000115.8R72 Y76 W77R72-S74 PolarHBondContact O-N 3.41Å; S74-Y76 PolarHBondContact O-N 2.59Å; S74-W77 PolarHBondContact O-N 3.39Å; S74-W77 PolarHBondContact O-NE1 3.29Å
75T40.9Very low39.3Very low126 Ų126146.2 Ų146.277%0.77372%0.717SS**Hα-helixtrans-57.8-21.5-176.254.50000114.4
76Y39.4Very low39.1Very low167 Ų167145.2 Ų145.266%0.65572%0.715SS**Hα-helixtrans-62.2-42.8178.1-171.7-101.7000113.7S74 M78 K79 M80S74-Y76 PolarHBondContact O-N 2.59Å; Y76-M78 PolarHBondContact O-N 3.05Å; Y76-K79 PolarHBondContact O-N 3.04Å; Y76-M80 HydrophobicContact CE1-CG 4.34Å; Y76-M80 PolarHBondContact O-N 3.23Å
77W44.3Very low39.3Very low88 Ų88142.8 Ų142.833%0.33372%0.717SS.*Hα-helixtrans-69.4-32.1-173.580.5-96000112.9K73 S74K73-W77 HydrophobicContact CB-CZ2 4.31Å; K73-W77 HydrophobicContact CD-CZ2 3.91Å; K73-W77 PolarHBondContact O-NE1 2.62Å; S74-W77 PolarHBondContact O-N 3.39Å; S74-W77 PolarHBondContact O-NE1 3.29Å
78M49.1Very low39.4Very low88 Ų88139.1 Ų139.143%0.43371%0.712SS.*Hα-helixtrans-67.7-43.1176.8-69.5-169.5173.500111.3Y76 M80 R81 R82Y76-M78 PolarHBondContact O-N 3.05Å; M78-M80 PolarHBondContact O-N 3.27Å; M78-R81 PolarHBondContact O-N 3.29Å; M78-R82 PolarHBondContact O-N 2.99Å
79K46.8Very low39.4Very low183 Ų183140.1 Ų140.180%0.79672%0.721SS**Hα-helixtrans-60.3-35.6-177.2-155.5169-173.2174.60111.8Y76 R81Y76-K79 PolarHBondContact O-N 3.04Å; K79-R81 VanDerWaalsContact C-N 3.31Å; K79-R81 PolarHBondContact O-N 3.17Å
80M37.7Very low39.1Very low139 Ų139143.2 Ų143.269%0.68572%0.721SS**THydrogen-bonded Turntrans-68.3-20.4176.4-68.9-68.6-83.500114.5Y76 M78Y76-M80 HydrophobicContact CE1-CG 4.34Å; Y76-M80 PolarHBondContact O-N 3.23Å; M78-M80 PolarHBondContact O-N 3.27Å
81R53.7Low38.3Very low179 Ų179144.3 Ų144.368%0.67572%0.723SS**THydrogen-bonded Turntrans-106.4-0.1-176.8-63.2-168.9-175-1693.3115.1M78 K79 I83M78-R81 PolarHBondContact O-N 3.29Å; K79-R81 VanDerWaalsContact C-N 3.31Å; K79-R81 PolarHBondContact O-N 3.17Å; R81-I83 HydrophobicContact CB-CD1 4.16Å; R81-I83 HydrophobicContact CB-CG1 4.11Å; R81-I83 PolarHBondContact O-N 2.9Å; R81-I83 VanDerWaalsContact O-N 3.14Å
82R39.3Very low38.2Very low240 Ų240143.1 Ų143.191%0.90672%0.72SS**THydrogen-bonded Turntrans52.926.1-176.7-59.8-169.2-179.5-153.91.7115.3M78 K84M78-R82 PolarHBondContact O-N 2.99Å; R82-K84 PolarHBondContact O-N 2.91Å
83I50.5Low37.5Very low105 Ų105134.9 Ų134.954%0.53871%0.711SS.*PPolyproline II helixtrans-76.4121.3172.4-58.1174.1000107.5R81R81-I83 HydrophobicContact CB-CD1 4.16Å; R81-I83 HydrophobicContact CB-CG1 4.11Å; R81-I83 PolarHBondContact O-N 2.9Å; R81-I83 VanDerWaalsContact O-N 3.14Å
84K37.9Very low37Very low191 Ų191133 Ų13383%0.8372%0.718SS**PPolyproline II helixtrans-74.8136.8171.5-74.9-173.1174.2-174.80109.5R82R82-K84 PolarHBondContact O-N 2.91Å
85P38.2Very low36.2Very low117 Ų117133.5 Ų133.576%0.7674%0.735SS**PPolyproline II helixtrans-68.1140168.830.1-33.7000109.9
86A32.5Very low35.4Very low89 Ų89130.8 Ų130.874%0.73673%0.733SS**PPolyproline II helixtrans-83.6140.3163.400000108.7
87A32.2Very low34.7Very low107 Ų107129.4 Ų129.488%0.88474%0.741SS**PPolyproline II helixtrans-79.4133.5167.900000109.2
88T32.4Very low33.8Very low131 Ų131130.7 Ų130.780%0.80476%0.764SS**  trans-129.9122.1172.249.50000108.3
89S30.3Very low32.8Very low122 Ų122130.1 Ų130.185%0.85377%0.773SS**  trans-73.2153.4175.941.20000111.8
90H24.5Very low31.8Very low150 Ų150131.5 Ų131.569%0.69478%0.779SS**  trans-94.9128.8-178.8178.6-90.7000110.9E92H90-E92 IonicContact CE1-OE2 2.83Å
91V26.9Very low31.2Very low134 Ų134128 Ų12881%0.81278%0.778SS**  trans-145.8134.2164.2-179.40000107.7
92E30.1Very low30Very low165 Ų165129.4 Ų129.477%0.77179%0.789SS**  trans-97.7165.1175.2-60.9172.7113.200110.4H90H90-E92 IonicContact CE1-OE2 2.83Å
93G26.1Very low29.4Very low72 Ų72129.8 Ų129.874%0.74279%0.791SS**  trans158.189.8171.100000117
94S24.8Very low28.5Very low123 Ų123133 Ų13386%0.8680%0.801SS**  trans-4.6125151.854.80000121
95G22.7Very low28.2Very low87 Ų87129.6 Ų129.690%0.89780%0.798SS**  79.4139.3113.900000122.1
96G24.2Very low27.6Very low70 Ų70131.9 Ų131.972%0.72279%0.792SS**  trans125.384.5136.800000121.3
97V25.1Very low27.3Very low138 Ų138136.4 Ų136.484%0.83680%0.797SS**  68.2142.2129.5174.20000122.1
98S25.3Very low27.1Very low115 Ų115136.7 Ų136.780%0.80478%0.781SS**  trans76.4153.4159-81.10000121.4
99A27.6Very low26.8Very low76 Ų76139.7 Ų139.763%0.62879%0.786SS**  cis-173.6154.3-2900000111.7
100K26.7Very low26.6Very low212 Ų212140.4 Ų140.492%0.92278%0.78SS**  trans64.3147.9167.6-60.9166.6-177.6170.20116.8
101G24.3Very low27Very low65 Ų65140.8 Ų140.867%0.6778%0.782SS**  cis136.4155.2-14.900000115.6
102K27.6Very low27.1Very low208 Ų208140.5 Ų140.590%0.90478%0.776SS**  trans75.3161.9178.4-54.9-176.4177.4-1740116.5
103R27.6Very low27Very low248 Ų248141.8 Ų141.894%0.93678%0.775SS**  -176.3160-57.4-110.3-175.7176.6-172.8-0.8108.7
104K30.9Very low27.1Very low174 Ų174147.3 Ų147.376%0.75777%0.773SS**  trans-64.9161171.7-115.8174.9179.3179.60112R106K104-R106 HydrophobicContact CD-CB 4.41Å
105P32.9Very low27.2Very low119 Ų119150.9 Ų150.977%0.77378%0.777SS**  -121.7171.266.828.2-11.8000112.9
106R25.7Very low27.5Very low165 Ų165155.1 Ų155.162%0.62377%0.77SS**  cis78.6101.812.5-155.5-174.3-156.7-113.75.7118.4K104 E108K104-R106 HydrophobicContact CD-CB 4.41Å; R106-E108 IonicContact CZ-OE1 3.08Å; R106-E108 IonicContact CZ-OE2 2.66Å; R106-E108 VanDerWaalsContact NH1-CD 3.25Å; R106-E108 IonicContact NH1-OE1 2.76Å; R106-E108 PolarHBondContact NH1-OE1 3.5Å; R106-E108 IonicContact NH1-OE2 2.81Å; R106-E108 PolarHBondContact NH1-OE2 3.18Å; R106-E108 IonicContact NH2-OE1 2.82Å; R106-E108 PolarHBondContact NH2-OE1 2.95Å; R106-E108 IonicContact NH2-OE2 2.64Å; R106-E108 PolarHBondContact NH2-OE2 2.95Å
107Q25.2Very low27.7Very low183 Ų183157.5 Ų157.586%0.85577%0.774SS**  trans-134.4147.9149.6-171.4164.4-700107.6
108E27.2Very low28Very low114 Ų114160.3 Ų160.353%0.53378%0.777SS.*  trans-111.7149171.9-70.1159.1138.600107.5R106R106-E108 IonicContact CZ-OE1 3.08Å; R106-E108 IonicContact CZ-OE2 2.66Å; R106-E108 VanDerWaalsContact NH1-CD 3.25Å; R106-E108 IonicContact NH1-OE1 2.76Å; R106-E108 PolarHBondContact NH1-OE1 3.5Å; R106-E108 IonicContact NH1-OE2 2.81Å; R106-E108 PolarHBondContact NH1-OE2 3.18Å; R106-E108 IonicContact NH2-OE1 2.82Å; R106-E108 PolarHBondContact NH2-OE1 2.95Å; R106-E108 IonicContact NH2-OE2 2.64Å; R106-E108 PolarHBondContact NH2-OE2 2.95Å
109E26.1Very low28.3Very low194 Ų194164.8 Ų164.891%0.90778%0.782SS**  -147.5166128.8-65.7-158159.700107.2
110D28Very low28.4Very low136 Ų136170.8 Ų170.873%0.72779%0.794SS**  -135.2-169.3-129.7-150.2-18.8000113
111E31.8Very low28.7Very low158 Ų158170.4 Ų170.474%0.73880%0.795SS**  trans70.8144.5169.7-50.8-63.7-178.300117.2
112D28.9Very low29Very low129 Ų129176.7 Ų176.769%0.6980%0.804SS**  cis-152.6162.4-19.9-178.532.1000110.8
113Y27.6Very low29.3Very low191 Ų191175.3 Ų175.375%0.74981%0.806SS**  trans81.5151.6154.3-127.3-103.3000122.1
114R28.9Very low29.3Very low188 Ų188173.8 Ų173.871%0.70980%0.802SS**  trans-103.6154.3-158.9-49.9172.6176.3-167.90.9112.7
115E26.8Very low29.1Very low199 Ų199169 Ų16993%0.9380%0.801SS**  -151.2165.4117-127.6-173.9169.100113.7
116F28.7Very low29Very low175 Ų175174.8 Ų174.877%0.76881%0.808SS**PPolyproline II helixtrans-92.5147.5-169.2-100.5-109.7000113.9
117P28.4Very low29.1Very low121 Ų121176.6 Ų176.679%0.78682%0.82SS**PPolyproline II helixtrans-83.9124.1-170.931.9-35.4000114.2
118Q31.3Very low29.4Very low196 Ų196177 Ų17792%0.91682%0.822SS**PPolyproline II helixtrans-90.7132.4167.1-67.4-162.54.800112.7K120Q118-K120 PolarHBondContact O-N 3.21Å
119K32Very low29.5Very low210 Ų210183.3 Ų183.391%0.91384%0.841SS**PPolyproline II helixtrans-68.9124.8-177.1-69.8173.2178.2170.20112.4
120K30Very low30Very low202 Ų202179.5 Ų179.588%0.87883%0.833SS**  trans-129.4134150.6-71.6-174.5179.1175.20109.7Q118 K122Q118-K120 PolarHBondContact O-N 3.21Å; K120-K122 PolarHBondContact O-N 3.45Å
121H32.7Very low30.1Very low204 Ų204182.5 Ų182.594%0.94484%0.84SS**  trans-58.2127.2174.9-94.2-168.2000110.4
122K29.7Very low30Very low196 Ų196181.1 Ų181.185%0.85284%0.842SS**  trans-119.1123.1159.5-83.3-172.8174.2179.20109.4K120K120-K122 PolarHBondContact O-N 3.45Å
123L34.7Very low30.3Very low180 Ų180183.4 Ų183.494%0.94285%0.849SS**  trans-70.4134.9170.3-68.3163.3000109.1
124Y27.6Very low30.5Very low215 Ų215179.7 Ų179.784%0.84385%0.848SS**  trans-115.5138.8161.156.8-87.9000108
125G27.8Very low30.7Very low73 Ų73177.9 Ų177.975%0.75385%0.853SS**  cis106.427.612.800000113K127G125-K127 PolarHBondContact O-N 2.69Å
126R29Very low31.2Very low242 Ų242173.8 Ų173.891%0.91384%0.843SS**  trans-83.398.1179.4-164.6177.3-169.4-158.12.2111.4
127K29.2Very low31.4Very low203 Ų203175 Ų17588%0.88385%0.848SS**  trans-57.2141.7167.8-64.6-178.3178.7-179.30110.3G125G125-K127 PolarHBondContact O-N 2.69Å
128Q31.1Very low31.7Very low190 Ų190175 Ų17589%0.88885%0.851SS**  trans-95.3137.4166.6-63.4-169.142.300110.3
129R29.1Very low32Very low248 Ų248172.7 Ų172.794%0.93684%0.84SS**  trans-149.1160.4151.6-102.6-147.2164.6-166.4-4.6109.7
130P37.7Very low32.1Very low113 Ų113167 Ų16773%0.73483%0.833SS**  trans-98.5171.8-137.537.5-39.3000114.6
131K28.6Very low32.8Very low199 Ų199169.1 Ų169.187%0.86584%0.835SS**  trans-155.5126.6150.4-113.1166.1-175.3-179.90113.6
132T29.9Very low33.1Very low129 Ų129169.2 Ų169.279%0.79183%0.827SS**  trans65.2121.2146.8-37.20000120.9
133Q35.7Very low33.6Very low177 Ų177167 Ų16783%0.82782%0.823SS**PPolyproline II helixtrans-75.6142.9167.6-70.4-80.715.400112.5
134P32.8Very low33.8Very low114 Ų114170 Ų17074%0.7482%0.822SS**PPolyproline II helixtrans-82.3134.8159.4-8.726.9000111.7
135N31.3Very low34.6Very low150 Ų150168.8 Ų168.880%0.80282%0.821SS**PPolyproline II helixtrans-64.7128.9178.9-174.411.1000112.2
136P38.5Very low35.2Very low113 Ų113173.7 Ų173.773%0.73482%0.824SS**PPolyproline II helixtrans-67.4131.3177.626.6-35.8000112.9
137K33.4Very low36.3Very low201 Ų201166.6 Ų166.687%0.87481%0.809SS**PPolyproline II helixtrans-75.2141.2169.4-68.4-172.8176.7-174.50110.8Q139K137-Q139 PolarHBondContact O-N 3Å
138S32.8Very low37.8Very low121 Ų121160.3 Ų160.385%0.84679%0.789SS**PPolyproline II helixtrans-54.6119.1-179.752.70000112.9
139Q39.5Very low39.1Very low146 Ų146158.1 Ų158.168%0.68279%0.789SS**PPolyproline II helixtrans-76.8137.3164.8-70.6-169.8-0.900109.8K137K137-Q139 PolarHBondContact O-N 3Å
140A32.2Very low40.9Very low92 Ų92149.1 Ų149.176%0.7676%0.755SS**PPolyproline II helixtrans-61.4157.2175.400000111.8R142A140-R142 PolarHBondContact O-N 2.92Å
141R44.7Very low42.3Very low246 Ų246147.3 Ų147.393%0.92875%0.749SS**  trans-40.6110.1-175.9-68.9-178.5175.4-167.3-1.5112.6I143R141-I143 PolarHBondContact O-N 3.02Å
142R40.7Very low43.7Very low205 Ų205142.6 Ų142.677%0.77475%0.748SS**  trans-75.2109.5160.3-67.5-172-173.7-136.62.1107.7A140 R144A140-R142 PolarHBondContact O-N 2.92Å; R142-R144 PolarHBondContact O-N 3.35Å
143I39.2Very low45.3Very low150 Ų150139.2 Ų139.277%0.76974%0.739SS**  trans-58.5124.6166.7-64.1169.4000107.2R141 K145R141-I143 PolarHBondContact O-N 3.02Å; I143-K145 PolarHBondContact O-N 3.03Å
144R38.4Very low47.3Very low243 Ų243132.1 Ų132.192%0.91771%0.709SS**  trans-70.4100.3173.6-157.5-177.7-167.2-164.93.5107R142R142-R144 PolarHBondContact O-N 3.35Å
145K44.9Very low49.3Very low189 Ų189130.8 Ų130.882%0.82270%0.695SS**PPolyproline II helixtrans-76.6143.2160.3-70.7-164.4172.4-164.50107.8I143I143-K145 PolarHBondContact O-N 3.03Å
146E41.1Very low51.5Low176 Ų176125.9 Ų125.982%0.82267%0.667SS**PPolyproline II helixtrans-63.9153.1176.8-66.8173.2119.900110.9
147P51.9Low53.6Low93 Ų93123.3 Ų123.360%0.60465%0.645SS**PPolyproline II helixtrans-59.9134.1172.9-18.731.9000109.9V149P147-V149 PolarHBondContact O-N 3.45Å
148P59.4Low55.8Low71 Ų71119.2 Ų119.246%0.46163%0.629SS.*PPolyproline II helixtrans-60.9124.2168.4-18.130.9000109.2Y150P148-Y150 HydrophobicContact CB-CD2 4.45Å; P148-Y150 HydrophobicContact CB-CE2 3.79Å; P148-Y150 HydrophobicContact CG-CE2 4.29Å; P148-Y150 WeakPolarHBondContact O-CD2 3.41Å; P148-Y150 PolarHBondContact O-N 3.06Å
149V59.3Low58.4Low144 Ų144114.5 Ų114.587%0.87359%0.593SS**  trans-76.593.7178-176.70000108.5P147P147-V149 PolarHBondContact O-N 3.45Å
150Y66.9Low60.4Low60 Ų60111.6 Ų111.624%0.23558%0.576CS.*PPolyproline II helixtrans-76.4151.5164.2-58-73.5000109.2P148 E156 Y160 I182P148-Y150 HydrophobicContact CB-CD2 4.45Å; P148-Y150 HydrophobicContact CB-CE2 3.79Å; P148-Y150 HydrophobicContact CG-CE2 4.29Å; P148-Y150 WeakPolarHBondContact O-CD2 3.41Å; P148-Y150 PolarHBondContact O-N 3.06Å; Y150-E156 HydrophobicContact CD1-CB 3.99Å; Y150-E156 HydrophobicContact CE1-CB 4.27Å; Y150-Y160 HydrophobicContact CD2-CD2 4.49Å; Y150-Y160 HydrophobicContact CD2-CG 4.41Å; Y150-Y160 AromaticContact CE2-CD2 3.77Å; Y150-Y160 HydrophobicContact CE2-CD2 3.77Å; Y150-Y160 HydrophobicContact CE2-CE2 4.38Å; Y150-Y160 HydrophobicContact CE2-CG 4.12Å; Y150-I182 HydrophobicContact CE1-CD1 4.24Å; Y150-I182 HydrophobicContact CE2-CD1 3.88Å; Y150-I182 WeakPolarHBondContact OH-CD1 3.42Å
151A67.6Low62.8Low74 Ų74112.1 Ų112.161%0.61257%0.566SS**PPolyproline II helixtrans-71.2134.1177.500000110.4G153 S154A151-G153 PolarHBondContact O-N 2.77Å; A151-S154 WeakPolarHBondContact O-CB 3.37Å; A151-S154 PolarHBondContact O-N 2.94Å
152A56.7Low64.6Low100 Ų100103 Ų10383%0.82653%0.534SS*.THydrogen-bonded Turntrans-56.1123.6-176.900000111.7E157A152-E157 WeakPolarHBondContact CA-OE2 3.5Å
153G63.7Low66.8Low59 Ų5994.5 Ų94.561%0.60850%0.504SS*.THydrogen-bonded Turntrans88.82.8-175.600000115.3A151 E157A151-G153 PolarHBondContact O-N 2.77Å; G153-E157 PolarHBondContact N-OE2 2.97Å
154S78.1Confident68.9Low27 Ų2792.1 Ų92.119%0.18950%0.495CS..  trans-64.5146.4175160.40000112.4A151 E156 E157 Q158A151-S154 WeakPolarHBondContact O-CB 3.37Å; A151-S154 PolarHBondContact O-N 2.94Å; S154-E156 PolarHBondContact O-N 3.25Å; S154-E156 WeakPolarHBondContact OG-CB 3.49Å; S154-E156 PolarHBondContact OG-N 2.97Å; S154-E156 PolarHBondContact OG-OE2 2.86Å; S154-E157 WeakPolarHBondContact O-CB 3.41Å; S154-E157 PolarHBondContact O-N 3.04Å; S154-Q158 PolarHBondContact O-N 3.03Å
155L73.8Confident71.1Confident87 Ų8786.6 Ų86.646%0.45548%0.484SS..Hα-helixtrans-60.5-34.4171.9-173.763.7000111.9Q158 W159L155-Q158 PolarHBondContact O-N 3.36Å; L155-W159 HydrophobicContact CD1-CZ2 4.1Å; L155-W159 HydrophobicContact CD2-CH2 3.66Å; L155-W159 HydrophobicContact CD2-CZ2 3.47Å; L155-W159 VanDerWaalsContact CD2-CZ2 3.47Å; L155-W159 HydrophobicContact CG-CD2 4.23Å; L155-W159 HydrophobicContact CG-CH2 3.89Å; L155-W159 HydrophobicContact CG-CZ2 3.51Å; L155-W159 HydrophobicContact CG-CZ3 4.4Å; L155-W159 PolarHBondContact O-N 3.45Å
156E79.1Confident72.8Confident47 Ų4783.6 Ų83.622%0.2247%0.471CS..Hα-helixtrans-66.6-32.4171.4-70.792.9161.200113.4Y150 S154 W159 Y160 I182 K186Y150-E156 HydrophobicContact CD1-CB 3.99Å; Y150-E156 HydrophobicContact CE1-CB 4.27Å; S154-E156 PolarHBondContact O-N 3.25Å; S154-E156 WeakPolarHBondContact OG-CB 3.49Å; S154-E156 PolarHBondContact OG-N 2.97Å; S154-E156 PolarHBondContact OG-OE2 2.86Å; E156-W159 HydrophobicContact CG-CE3 4.13Å; E156-W159 HydrophobicContact CG-CZ3 4.22Å; E156-W159 PolarHBondContact O-N 3.35Å; E156-Y160 PolarHBondContact O-N 3.25Å; E156-I182 HydrophobicContact CB-CG2 4.19Å; E156-I182 HydrophobicContact CG-CG2 3.83Å; E156-I182 WeakPolarHBondContact O-CD1 3.38Å; E156-K186 IonicContact OE1-NZ 3.41Å; E156-K186 PolarHBondContact OE1-NZ 3.04Å
157E82.4Confident74.7Confident59 Ų5977 Ų7728%0.27645%0.45SS..Hα-helixtrans-69.1-43.7173.1-174.4-174.9-145.800111.1A152 G153 S154 W159 Y160 L161A152-E157 WeakPolarHBondContact CA-OE2 3.5Å; G153-E157 PolarHBondContact N-OE2 2.97Å; S154-E157 WeakPolarHBondContact O-CB 3.41Å; S154-E157 PolarHBondContact O-N 3.04Å; E157-W159 VanDerWaalsContact C-N 3.27Å; E157-W159 PolarHBondContact O-N 3.49Å; E157-Y160 WeakPolarHBondContact O-CA 3.34Å; E157-Y160 VanDerWaalsContact O-CB 3.29Å; E157-Y160 WeakPolarHBondContact O-CB 3.47Å; E157-Y160 PolarHBondContact O-N 3.03Å; E157-L161 HydrophobicContact CG-CD1 4.31Å; E157-L161 WeakPolarHBondContact O-CG 3.4Å; E157-L161 PolarHBondContact O-N 3.05Å
158Q79.2Confident76.2Confident114 Ų11474.6 Ų74.653%0.53344%0.436SS..Hα-helixtrans-58.4-41.4174.3-66178.6-4.900111.4S154 L155 E162S154-Q158 PolarHBondContact O-N 3.03Å; L155-Q158 PolarHBondContact O-N 3.36Å; Q158-E162 WeakPolarHBondContact O-CB 3.29Å; Q158-E162 PolarHBondContact O-N 3.05Å
159W86.4Confident77.4Confident23 Ų2371.2 Ų71.29%0.08741%0.414CS..Hα-helixtrans-68.3-33.4172.8-63.1-20.1000113.3L155 E156 E157 I163 V169 P172 I182 L185 M189L155-W159 HydrophobicContact CD1-CZ2 4.1Å; L155-W159 HydrophobicContact CD2-CH2 3.66Å; L155-W159 HydrophobicContact CD2-CZ2 3.47Å; L155-W159 VanDerWaalsContact CD2-CZ2 3.47Å; L155-W159 HydrophobicContact CG-CD2 4.23Å; L155-W159 HydrophobicContact CG-CH2 3.89Å; L155-W159 HydrophobicContact CG-CZ2 3.51Å; L155-W159 HydrophobicContact CG-CZ3 4.4Å; L155-W159 PolarHBondContact O-N 3.45Å; E156-W159 HydrophobicContact CG-CE3 4.13Å; E156-W159 HydrophobicContact CG-CZ3 4.22Å; E156-W159 PolarHBondContact O-N 3.35Å; E157-W159 VanDerWaalsContact C-N 3.27Å; E157-W159 PolarHBondContact O-N 3.49Å; W159-I163 WeakPolarHBondContact O-CB 3.39Å; W159-I163 WeakPolarHBondContact O-CD1 3.27Å; W159-I163 WeakPolarHBondContact O-CG1 3.06Å; W159-I163 PolarHBondContact O-N 3.21Å; W159-V169 HydrophobicContact CB-CB 4.46Å; W159-V169 HydrophobicContact CB-CG1 4.42Å; W159-V169 HydrophobicContact CB-CG2 4.12Å; W159-V169 HydrophobicContact CG-CG2 3.85Å; W159-P172 HydrophobicContact CZ2-CG 4.34Å; W159-I182 HydrophobicContact CB-CG1 4.35Å; W159-I182 HydrophobicContact CE3-CG2 4.28Å; W159-L185 HydrophobicContact CD2-CD2 3.58Å; W159-L185 HydrophobicContact CE3-CD2 3.78Å; W159-L185 HydrophobicContact CG-CD2 4.08Å; W159-L185 HydrophobicContact CH2-CD2 4.19Å; W159-L185 HydrophobicContact CZ2-CD2 4Å; W159-L185 HydrophobicContact CZ3-CD2 4.09Å; W159-M189 HydrophobicContact CH2-CE 3.78Å; W159-M189 HydrophobicContact CH2-SD 3.46Å; W159-M189 WeakPolarHBondContact CH2-SD 3.38Å; W159-M189 HydrophobicContact CZ2-CE 4.08Å; W159-M189 HydrophobicContact CZ2-SD 3.85Å; W159-M189 HydrophobicContact CZ3-SD 4.23Å
160Y81.6Confident78.7Confident84 Ų8467 Ų6733%0.32939%0.391SS..Hα-helixtrans-60.9-51.6173.1-171.8-101.6000110.7Y150 E156 E157 E162 I163 V164 I182Y150-Y160 HydrophobicContact CD2-CD2 4.49Å; Y150-Y160 HydrophobicContact CD2-CG 4.41Å; Y150-Y160 AromaticContact CE2-CD2 3.77Å; Y150-Y160 HydrophobicContact CE2-CD2 3.77Å; Y150-Y160 HydrophobicContact CE2-CE2 4.38Å; Y150-Y160 HydrophobicContact CE2-CG 4.12Å; E156-Y160 PolarHBondContact O-N 3.25Å; E157-Y160 WeakPolarHBondContact O-CA 3.34Å; E157-Y160 VanDerWaalsContact O-CB 3.29Å; E157-Y160 WeakPolarHBondContact O-CB 3.47Å; E157-Y160 PolarHBondContact O-N 3.03Å; Y160-E162 PolarHBondContact O-N 2.84Å; Y160-I163 PolarHBondContact O-N 2.78Å; Y160-V164 HydrophobicContact CD1-CG2 4.2Å; Y160-V164 HydrophobicContact CE1-CG2 3.9Å; Y160-V164 WeakPolarHBondContact O-CG2 3.44Å; Y160-V164 PolarHBondContact O-N 3.09Å; Y160-I182 HydrophobicContact CD2-CD1 3.96Å; Y160-I182 HydrophobicContact CG-CD1 4.4Å
161L83.9Confident79.4Confident103 Ų10364.2 Ų64.254%0.53938%0.38SS..Hα-helixtrans-61.9-41.7179.5-64.9170.9000111.4E157 I163 V164 D165E157-L161 HydrophobicContact CG-CD1 4.31Å; E157-L161 WeakPolarHBondContact O-CG 3.4Å; E157-L161 PolarHBondContact O-N 3.05Å; L161-I163 PolarHBondContact O-N 3.34Å; L161-V164 PolarHBondContact O-N 2.72Å; L161-D165 WeakPolarHBondContact O-CB 3.18Å; L161-D165 PolarHBondContact O-N 3.26Å
162E82.9Confident79.9Confident54 Ų5464 Ų6425%0.25237%0.372SS..Hα-helixtrans-67.5-33.2175.1-174.3167.1-12300113.3Q158 Y160 V164 K166 V169Q158-E162 WeakPolarHBondContact O-CB 3.29Å; Q158-E162 PolarHBondContact O-N 3.05Å; Y160-E162 PolarHBondContact O-N 2.84Å; E162-V164 VanDerWaalsContact C-N 3.35Å; E162-K166 HydrophobicContact CG-CB 4.47Å; E162-K166 HydrophobicContact CG-CD 3.8Å; E162-K166 HydrophobicContact CG-CG 4.18Å; E162-K166 WeakPolarHBondContact O-CB 3.35Å; E162-K166 PolarHBondContact O-N 2.74Å; E162-K166 WeakPolarHBondContact OE1-CE 3.17Å; E162-K166 IonicContact OE1-NZ 3.2Å; E162-K166 PolarHBondContact OE1-NZ 3.36Å; E162-V169 WeakPolarHBondContact OE2-CG2 3.49Å
163I85.4Confident80.4Confident28 Ų2861.3 Ų61.314%0.14435%0.346CS..Hα-helixtrans-66.5-37.8171.3-71.4161.7000111.1W159 Y160 L161 G167 V169 I182W159-I163 WeakPolarHBondContact O-CB 3.39Å; W159-I163 WeakPolarHBondContact O-CD1 3.27Å; W159-I163 WeakPolarHBondContact O-CG1 3.06Å; W159-I163 PolarHBondContact O-N 3.21Å; Y160-I163 PolarHBondContact O-N 2.78Å; L161-I163 PolarHBondContact O-N 3.34Å; I163-G167 CarbonylContact O-C 3.55Å; I163-G167 WeakPolarHBondContact O-CA 3.43Å; I163-G167 PolarHBondContact O-N 3.44Å; I163-V169 HydrophobicContact CD1-CB 4.46Å; I163-V169 HydrophobicContact CD1-CG1 3.64Å; I163-V169 HydrophobicContact CG1-CB 3.93Å; I163-V169 HydrophobicContact CG1-CG1 3.57Å; I163-I182 HydrophobicContact CD1-CG1 3.75Å
164V83.6Confident80.7Confident99 Ų9959.9 Ų59.960%0.633%0.326SS*.Hα-helixtrans-70.3-43.7179.4170.30000111.4Y160 L161 E162Y160-V164 HydrophobicContact CD1-CG2 4.2Å; Y160-V164 HydrophobicContact CE1-CG2 3.9Å; Y160-V164 WeakPolarHBondContact O-CG2 3.44Å; Y160-V164 PolarHBondContact O-N 3.09Å; L161-V164 PolarHBondContact O-N 2.72Å; E162-V164 VanDerWaalsContact C-N 3.35Å
165D84.4Confident80.4Confident127 Ų12765.7 Ų65.768%0.67935%0.35SS*.Hα-helixtrans-71.5-55.5178.4177.358.7000112.5L161L161-D165 WeakPolarHBondContact O-CB 3.18Å; L161-D165 PolarHBondContact O-N 3.26Å
166K81.8Confident80.3Confident127 Ų12765 Ų6555%0.55236%0.357SS*.Hα-helixtrans-99.3-3.7-168.8-50-175.5-166.9162.90113.7E162 S168E162-K166 HydrophobicContact CG-CB 4.47Å; E162-K166 HydrophobicContact CG-CD 3.8Å; E162-K166 HydrophobicContact CG-CG 4.18Å; E162-K166 WeakPolarHBondContact O-CB 3.35Å; E162-K166 PolarHBondContact O-N 2.74Å; E162-K166 WeakPolarHBondContact OE1-CE 3.17Å; E162-K166 IonicContact OE1-NZ 3.2Å; E162-K166 PolarHBondContact OE1-NZ 3.36Å; K166-S168 PolarHBondContact O-N 3.43Å
167G80Confident80.1Confident36 Ų3664.6 Ų64.637%0.37136%0.358SS..SBendtrans73.2-3.8-176.600000115.2I163 K180I163-G167 CarbonylContact O-C 3.55Å; I163-G167 WeakPolarHBondContact O-CA 3.43Å; I163-G167 PolarHBondContact O-N 3.44Å; G167-K180 WeakPolarHBondContact O-CG 3.49Å
168S83.4Confident80Confident44 Ų4463.9 Ų63.931%0.30837%0.366SS..SBendtrans-169.6139.9171.158.50000112.6K166 R179K166-S168 PolarHBondContact O-N 3.43Å; S168-R179 CarbonylContact C-O 3.55Å; S168-R179 WeakPolarHBondContact CA-O 3.46Å; S168-R179 VanDerWaalsContact CB-O 3.27Å; S168-R179 WeakPolarHBondContact CB-O 3.35Å
169V85.5Confident80.2Confident0 Ų063.6 Ų63.60%036%0.36CS..EExtended strand (participates in β ladder)trans-87.4139.4168.954.30000110.8W159 E162 I163 G178 R179 L185W159-V169 HydrophobicContact CB-CB 4.46Å; W159-V169 HydrophobicContact CB-CG1 4.42Å; W159-V169 HydrophobicContact CB-CG2 4.12Å; W159-V169 HydrophobicContact CG-CG2 3.85Å; E162-V169 WeakPolarHBondContact OE2-CG2 3.49Å; I163-V169 HydrophobicContact CD1-CB 4.46Å; I163-V169 HydrophobicContact CD1-CG1 3.64Å; I163-V169 HydrophobicContact CG1-CB 3.93Å; I163-V169 HydrophobicContact CG1-CG1 3.57Å; V169-G178 CarbonylContact O-C 3.42Å; V169-G178 VanDerWaalsContact O-CA 3.31Å; V169-G178 WeakPolarHBondContact O-CA 3.4Å; V169-R179 PolarHBondContact N-O 3.03Å; V169-R179 PolarHBondContact O-N 2.93Å; V169-L185 HydrophobicContact CG1-CB 4.33Å; V169-L185 HydrophobicContact CG1-CD1 4.16Å; V169-L185 HydrophobicContact CG1-CD2 3.81Å; V169-L185 HydrophobicContact CG1-CG 4.32Å; V169-L185 HydrophobicContact CG2-CD2 3.81Å
170S85.8Confident80.1Confident56 Ų5670.3 Ų70.339%0.39239%0.39SS..EExtended strand (participates in β ladder)trans-90.6139172.9590000112
171C81.9Confident80.2Confident0 Ų069.9 Ų69.90%040%0.396CS..PPolyproline II helixtrans-60.3121.8176.1-178.80000112.2T173 C174 Q175 V177 L185 H188C171-T173 PolarHBondContact O-N 2.81Å; C171-C174 PolarHBondContact O-N 3.33Å; C171-Q175 WeakPolarHBondContact O-CA 3.31Å; C171-Q175 PolarHBondContact O-N 2.77Å; C171-V177 PolarHBondContact N-O 3.06Å; C171-L185 HydrophobicContact CB-CD1 4.05Å; C171-H188 VanDerWaalsContact CB-CD2 3.49Å; C171-H188 WeakPolarHBondContact CB-CD2 3.41Å; C171-H188 WeakPolarHBondContact CB-NE2 3.1Å; C171-H188 PolarHBondContact SG-NE2 3.39Å; C171-H188 VanDerWaalsContact SG-NE2 3.44Å
172P77.5Confident80.1Confident70 Ų7065.4 Ų65.446%0.45537%0.372SS..THydrogen-bonded Turntrans-62.5-30.7-179.124.7-34000112.3W159 M189W159-P172 HydrophobicContact CZ2-CG 4.34Å; P172-M189 HydrophobicContact CG-CE 4.11Å
173T68.4Low80.2Confident44 Ų4467.9 Ų67.927%0.2738%0.384SS..THydrogen-bonded Turntrans-74.2-31.5-175.4-41.80000113.9C171 C192 Q194C171-T173 PolarHBondContact O-N 2.81Å; T173-C192 WeakPolarHBondContact CG2-O 3.33Å; T173-Q194 HydrophobicContact CG2-CB 4.17Å; T173-Q194 HydrophobicContact CG2-CG 4.39Å; T173-Q194 PolarHBondContact O-NE2 2.96Å; T173-Q194 PolarHBondContact O-OE1 3.46Å
174C70Confident80Confident28 Ų2867.5 Ų67.519%0.18939%0.387CS..THydrogen-bonded Turntrans-129.2-15.1-178.177.10000116.1C171 A176 H188C171-C174 PolarHBondContact O-N 3.33Å; C174-A176 PolarHBondContact O-N 3.21Å; C174-H188 PolarHBondContact SG-NE2 3.32Å; C174-H188 VanDerWaalsContact SG-NE2 3.36Å
175Q72.3Confident80Confident149 Ų14962.8 Ų62.870%0.69636%0.358SS*.SBendtrans55.7-17.2-179.4-60.7177.20.800116.9C171 V177C171-Q175 WeakPolarHBondContact O-CA 3.31Å; C171-Q175 PolarHBondContact O-N 2.77Å; Q175-V177 VanDerWaalsContact C-N 3.34Å; Q175-V177 PolarHBondContact O-N 3.4Å
176A71.2Confident79.9Confident72 Ų7261.5 Ų61.560%0.59535%0.346SS*.SBendtrans-83.8-0.9-177.100000114.8C174C174-A176 PolarHBondContact O-N 3.21Å
177V73.6Confident79.8Confident40 Ų4062 Ų6224%0.24235%0.349CS..  trans-127.2104.9-178.4-177.80000109.8C171 Q175 R179C171-V177 PolarHBondContact N-O 3.06Å; Q175-V177 VanDerWaalsContact C-N 3.34Å; Q175-V177 PolarHBondContact O-N 3.4Å; V177-R179 HydrophobicContact CG1-CG 4.24Å
178G81.6Confident79.8Confident43 Ų4361.7 Ų61.744%0.44334%0.338SS..EExtended strand (participates in β ladder)trans-83.8139.4167.700000111.9V169V169-G178 CarbonylContact O-C 3.42Å; V169-G178 VanDerWaalsContact O-CA 3.31Å; V169-G178 WeakPolarHBondContact O-CA 3.4Å
179R82.4Confident79.6Confident109 Ų10962.1 Ų62.141%0.41134%0.335SS..EExtended strand (participates in β ladder)trans-130.7145.4177.7-65.4-63.6-167.5-160.51.9111.1S168 V169 V177 G184 L185S168-R179 CarbonylContact C-O 3.55Å; S168-R179 WeakPolarHBondContact CA-O 3.46Å; S168-R179 VanDerWaalsContact CB-O 3.27Å; S168-R179 WeakPolarHBondContact CB-O 3.35Å; V169-R179 PolarHBondContact N-O 3.03Å; V169-R179 PolarHBondContact O-N 2.93Å; V177-R179 HydrophobicContact CG1-CG 4.24Å; R179-G184 WeakPolarHBondContact CG-O 3.47Å; R179-L185 HydrophobicContact CB-CB 4.23Å; R179-L185 HydrophobicContact CB-CD1 4.11Å; R179-L185 HydrophobicContact CG-CD1 4.09Å
180K84.1Confident78.9Confident164 Ų16467.6 Ų67.671%0.71336%0.361SS*.SBendtrans-97.44.4-175.9-52.8-160.8172.8-165.50114G167G167-K180 WeakPolarHBondContact O-CG 3.49Å
181T84.9Confident77.9Confident75 Ų7571.8 Ų71.846%0.4638%0.379SS..SBendtrans-147.2148.2178.4580000109G184 L185T181-G184 PolarHBondContact O-N 3.29Å; T181-G184 PolarHBondContact OG1-N 3.41Å; T181-L185 PolarHBondContact O-N 3.23Å
182I82.4Confident77.4Confident8 Ų872.7 Ų72.74%0.04139%0.385CS..Hα-helixtrans-68.3-39.9-177.1-65.3162.4000110.2Y150 E156 W159 Y160 I163 G184 L185 K186Y150-I182 HydrophobicContact CE1-CD1 4.24Å; Y150-I182 HydrophobicContact CE2-CD1 3.88Å; Y150-I182 WeakPolarHBondContact OH-CD1 3.42Å; E156-I182 HydrophobicContact CB-CG2 4.19Å; E156-I182 HydrophobicContact CG-CG2 3.83Å; E156-I182 WeakPolarHBondContact O-CD1 3.38Å; W159-I182 HydrophobicContact CB-CG1 4.35Å; W159-I182 HydrophobicContact CE3-CG2 4.28Å; Y160-I182 HydrophobicContact CD2-CD1 3.96Å; Y160-I182 HydrophobicContact CG-CD1 4.4Å; I163-I182 HydrophobicContact CD1-CG1 3.75Å; I182-G184 PolarHBondContact O-N 2.77Å; I182-L185 CarbonylContact O-C 3.57Å; I182-L185 WeakPolarHBondContact O-CA 3.38Å; I182-L185 WeakPolarHBondContact O-CB 3.49Å; I182-L185 PolarHBondContact O-N 3.3Å; I182-K186 WeakPolarHBondContact O-CB 3.46Å; I182-K186 PolarHBondContact O-N 3.23Å
183E83.3Confident76.5Confident106 Ų10677.1 Ų77.150%0.49540%0.397SS..Hα-helixtrans-65.4-32.1176-53.967.9-144.700111L185 K187E183-L185 VanDerWaalsContact C-N 3.35Å; E183-K187 WeakPolarHBondContact O-CB 3.42Å; E183-K187 WeakPolarHBondContact O-CG 3.42Å; E183-K187 PolarHBondContact O-N 3.45Å; E183-K187 VanDerWaalsContact O-N 3.09Å
184G82.5Confident76.1Confident20 Ų2080.1 Ų80.121%0.20641%0.408CS..Hα-helixtrans-71.1-29.2173.600000113R179 T181 I182 H188R179-G184 WeakPolarHBondContact CG-O 3.47Å; T181-G184 PolarHBondContact O-N 3.29Å; T181-G184 PolarHBondContact OG1-N 3.41Å; I182-G184 PolarHBondContact O-N 2.77Å; G184-H188 WeakPolarHBondContact O-CB 3.46Å
185L83.3Confident75.3Confident0 Ų084.8 Ų84.80%043%0.427CS..Hα-helixtrans-76.6-47.8170.5-164.674.8000111.3W159 V169 C171 R179 T181 I182 E183 K187 H188 M189W159-L185 HydrophobicContact CD2-CD2 3.58Å; W159-L185 HydrophobicContact CE3-CD2 3.78Å; W159-L185 HydrophobicContact CG-CD2 4.08Å; W159-L185 HydrophobicContact CH2-CD2 4.19Å; W159-L185 HydrophobicContact CZ2-CD2 4Å; W159-L185 HydrophobicContact CZ3-CD2 4.09Å; V169-L185 HydrophobicContact CG1-CB 4.33Å; V169-L185 HydrophobicContact CG1-CD1 4.16Å; V169-L185 HydrophobicContact CG1-CD2 3.81Å; V169-L185 HydrophobicContact CG1-CG 4.32Å; V169-L185 HydrophobicContact CG2-CD2 3.81Å; C171-L185 HydrophobicContact CB-CD1 4.05Å; R179-L185 HydrophobicContact CB-CB 4.23Å; R179-L185 HydrophobicContact CB-CD1 4.11Å; R179-L185 HydrophobicContact CG-CD1 4.09Å; T181-L185 PolarHBondContact O-N 3.23Å; I182-L185 CarbonylContact O-C 3.57Å; I182-L185 WeakPolarHBondContact O-CA 3.38Å; I182-L185 WeakPolarHBondContact O-CB 3.49Å; I182-L185 PolarHBondContact O-N 3.3Å; E183-L185 VanDerWaalsContact C-N 3.35Å; L185-K187 PolarHBondContact O-N 3.44Å; L185-H188 CarbonylContact O-C 3.58Å; L185-H188 WeakPolarHBondContact O-CA 3.36Å; L185-H188 WeakPolarHBondContact O-CB 3.17Å; L185-H188 PolarHBondContact O-N 3.47Å; L185-M189 HydrophobicContact CD2-SD 4.09Å; L185-M189 HydrophobicContact CG-CG 4.47Å; L185-M189 HydrophobicContact CG-SD 4.07Å; L185-M189 WeakPolarHBondContact O-CG 3.34Å; L185-M189 PolarHBondContact O-N 2.85Å
186K81.7Confident75Confident100 Ų10081.8 Ų81.844%0.43541%0.414SS..Hα-helixtrans-59.1-48.2-177.3-160.2156.5-172158.30111.7E156 I182 H188 M189 E190E156-K186 IonicContact OE1-NZ 3.41Å; E156-K186 PolarHBondContact OE1-NZ 3.04Å; I182-K186 WeakPolarHBondContact O-CB 3.46Å; I182-K186 PolarHBondContact O-N 3.23Å; K186-H188 VanDerWaalsContact C-N 3.29Å; K186-H188 PolarHBondContact O-N 3.39Å; K186-M189 PolarHBondContact O-N 3.14Å; K186-E190 WeakPolarHBondContact O-CG 3.48Å; K186-E190 PolarHBondContact O-N 3.46Å
187K81.1Confident74.8Confident138 Ų13880.1 Ų80.160%0.639%0.394SS*.Hα-helixtrans-60.2-35.3171-73-178.9177.1-177.80113.5E183 L185 N191E183-K187 WeakPolarHBondContact O-CB 3.42Å; E183-K187 WeakPolarHBondContact O-CG 3.42Å; E183-K187 PolarHBondContact O-N 3.45Å; E183-K187 VanDerWaalsContact O-N 3.09Å; L185-K187 PolarHBondContact O-N 3.44Å; K187-N191 PolarHBondContact O-N 3.29Å; K187-N191 PolarHBondContact O-OD1 3.02Å
188H79.6Confident74.9Confident30 Ų3081.3 Ų81.314%0.13940%0.401CS..Hα-helixtrans-68.8-40173.7168.549000111.5C171 C174 G184 L185 K186 N191 C192C171-H188 VanDerWaalsContact CB-CD2 3.49Å; C171-H188 WeakPolarHBondContact CB-CD2 3.41Å; C171-H188 WeakPolarHBondContact CB-NE2 3.1Å; C171-H188 PolarHBondContact SG-NE2 3.39Å; C171-H188 VanDerWaalsContact SG-NE2 3.44Å; C174-H188 PolarHBondContact SG-NE2 3.32Å; C174-H188 VanDerWaalsContact SG-NE2 3.36Å; G184-H188 WeakPolarHBondContact O-CB 3.46Å; L185-H188 CarbonylContact O-C 3.58Å; L185-H188 WeakPolarHBondContact O-CA 3.36Å; L185-H188 WeakPolarHBondContact O-CB 3.17Å; L185-H188 PolarHBondContact O-N 3.47Å; K186-H188 VanDerWaalsContact C-N 3.29Å; K186-H188 PolarHBondContact O-N 3.39Å; H188-N191 CarbonylContact O-C 3.52Å; H188-N191 PolarHBondContact O-N 3.23Å; H188-C192 WeakPolarHBondContact O-CB 3.46Å; H188-C192 PolarHBondContact O-N 2.96Å
189M77.9Confident74.7Confident52 Ų5279.3 Ų79.326%0.25638%0.38SS..Hα-helixtrans-66.1-38.5177.5-70.5175.568.600112.6W159 P172 L185 K186 N191 C192W159-M189 HydrophobicContact CH2-CE 3.78Å; W159-M189 HydrophobicContact CH2-SD 3.46Å; W159-M189 WeakPolarHBondContact CH2-SD 3.38Å; W159-M189 HydrophobicContact CZ2-CE 4.08Å; W159-M189 HydrophobicContact CZ2-SD 3.85Å; W159-M189 HydrophobicContact CZ3-SD 4.23Å; P172-M189 HydrophobicContact CG-CE 4.11Å; L185-M189 HydrophobicContact CD2-SD 4.09Å; L185-M189 HydrophobicContact CG-CG 4.47Å; L185-M189 HydrophobicContact CG-SD 4.07Å; L185-M189 WeakPolarHBondContact O-CG 3.34Å; L185-M189 PolarHBondContact O-N 2.85Å; K186-M189 PolarHBondContact O-N 3.14Å; M189-N191 PolarHBondContact O-N 3.45Å; M189-C192 CarbonylContact O-C 3.06Å; M189-C192 PolarHBondContact O-N 2.85Å
190E70.9Confident74.2Confident116 Ų11681.7 Ų81.754%0.54240%0.395SS..Hα-helixtrans-55.7-37.5171.6-72.3160.9-164.400112.7K186K186-E190 WeakPolarHBondContact O-CG 3.48Å; K186-E190 PolarHBondContact O-N 3.46Å
191N65.4Low73.2Confident143 Ų14377.5 Ų77.577%0.76538%0.378SS*.Hα-helixtrans-88.5-18.7173.7-69.6128000114.1K187 H188 M189 K193K187-N191 PolarHBondContact O-N 3.29Å; K187-N191 PolarHBondContact O-OD1 3.02Å; H188-N191 CarbonylContact O-C 3.52Å; H188-N191 PolarHBondContact O-N 3.23Å; M189-N191 PolarHBondContact O-N 3.45Å; N191-K193 PolarHBondContact O-N 2.95Å
192C70.9Confident72.2Confident19 Ų1976.5 Ų76.513%0.12837%0.374CS..  trans-9143.3-178.2-165.40000111.7T173 H188 M189 Q194T173-C192 WeakPolarHBondContact CG2-O 3.33Å; H188-C192 WeakPolarHBondContact O-CB 3.46Å; H188-C192 PolarHBondContact O-N 2.96Å; M189-C192 CarbonylContact O-C 3.06Å; M189-C192 PolarHBondContact O-N 2.85Å; C192-Q194 PolarHBondContact O-N 2.94Å
193K60Low71.4Confident164 Ų16478.6 Ų78.671%0.71340%0.397SS*.  trans-66.8131.5172.1-63.1-170.4178.5-171.40109.1N191 E195N191-K193 PolarHBondContact O-N 2.95Å; K193-E195 PolarHBondContact O-N 3.43Å
194Q58.3Low71Confident106 Ų10679.4 Ų79.450%0.49540%0.399SS..  trans-76.231.1-166-16072.9-49.500114.1T173 C192 M196T173-Q194 HydrophobicContact CG2-CB 4.17Å; T173-Q194 HydrophobicContact CG2-CG 4.39Å; T173-Q194 PolarHBondContact O-NE2 2.96Å; T173-Q194 PolarHBondContact O-OE1 3.46Å; C192-Q194 PolarHBondContact O-N 2.94Å; Q194-M196 VanDerWaalsContact C-N 3.33Å; Q194-M196 HydrophobicContact CG-CE 4.12Å; Q194-M196 PolarHBondContact O-N 3.45Å
195E54.6Low70.6Confident126 Ų12684.5 Ų84.559%0.58942%0.418SS*.  trans-74.291170.6-68.9-166.8166.300109.1K193 F197K193-E195 PolarHBondContact O-N 3.43Å; E195-F197 HydrophobicContact CB-CD2 4.13Å; E195-F197 HydrophobicContact CB-CE1 4.14Å; E195-F197 HydrophobicContact CB-CE2 3.53Å; E195-F197 HydrophobicContact CB-CZ 3.54Å; E195-F197 HydrophobicContact CG-CZ 4.39Å; E195-F197 WeakPolarHBondContact O-CD2 3.34Å; E195-F197 VanDerWaalsContact O-CE2 3.24Å; E195-F197 WeakPolarHBondContact O-CE2 3.33Å; E195-F197 PolarHBondContact O-N 3.38Å; E195-F197 WeakPolarHBondContact OE2-CE1 3.35Å; E195-F197 WeakPolarHBondContact OE2-CZ 3.36Å
196M65.7Low70.3Confident86 Ų8686.6 Ų86.642%0.42443%0.429SS..  trans-75.773.3171.5-62.8-159-163.500109.7Q194 T198 Q205Q194-M196 VanDerWaalsContact C-N 3.33Å; Q194-M196 HydrophobicContact CG-CE 4.12Å; Q194-M196 PolarHBondContact O-N 3.45Å; M196-T198 PolarHBondContact O-N 3.49Å; M196-Q205 HydrophobicContact CB-CB 4.16Å; M196-Q205 HydrophobicContact CB-CG 4.18Å
197F67.5Low69.9Low38 Ų3891.6 Ų91.617%0.16745%0.445CS..EExtended strand (participates in β ladder)trans-48.5105.4-174.3-67.7-81.8000112.4E195 C199 Q205 L206 L209 M212E195-F197 HydrophobicContact CB-CD2 4.13Å; E195-F197 HydrophobicContact CB-CE1 4.14Å; E195-F197 HydrophobicContact CB-CE2 3.53Å; E195-F197 HydrophobicContact CB-CZ 3.54Å; E195-F197 HydrophobicContact CG-CZ 4.39Å; E195-F197 WeakPolarHBondContact O-CD2 3.34Å; E195-F197 VanDerWaalsContact O-CE2 3.24Å; E195-F197 WeakPolarHBondContact O-CE2 3.33Å; E195-F197 PolarHBondContact O-N 3.38Å; E195-F197 WeakPolarHBondContact OE2-CE1 3.35Å; E195-F197 WeakPolarHBondContact OE2-CZ 3.36Å; F197-C199 PolarHBondContact O-N 2.83Å; F197-Q205 CarbonylContact O-C 3.55Å; F197-Q205 WeakPolarHBondContact O-CA 3.24Å; F197-L206 PolarHBondContact N-O 3.33Å; F197-L206 PolarHBondContact O-N 3.49Å; F197-L209 HydrophobicContact CD1-CB 4.34Å; F197-L209 HydrophobicContact CD1-CG 4.35Å; F197-L209 HydrophobicContact CD2-CB 4.25Å; F197-L209 HydrophobicContact CE1-CB 3.88Å; F197-L209 HydrophobicContact CE1-CD1 3.8Å; F197-L209 HydrophobicContact CE1-CG 3.89Å; F197-L209 HydrophobicContact CE2-CB 3.79Å; F197-L209 HydrophobicContact CZ-CB 3.58Å; F197-L209 HydrophobicContact CZ-CD1 3.97Å; F197-L209 HydrophobicContact CZ-CG 4.08Å; F197-M212 HydrophobicContact CB-CB 3.87Å; F197-M212 HydrophobicContact CB-CE 4.03Å; F197-M212 HydrophobicContact CB-CG 4.36Å; F197-M212 HydrophobicContact CB-SD 3.81Å; F197-M212 HydrophobicContact CD1-CE 3.64Å; F197-M212 HydrophobicContact CD1-SD 4.47Å; F197-M212 HydrophobicContact CG-CE 4.13Å
198T74.6Confident69.7Low65 Ų6587.6 Ų87.640%0.39943%0.434SS..EExtended strand (participates in β ladder)trans-76.6114.3178.241.70000109.7M196 H200 Q205M196-T198 PolarHBondContact O-N 3.49Å; T198-H200 PolarHBondContact O-N 2.88Å; T198-H200 PolarHBondContact O-ND1 3.36Å; T198-Q205 HydrophobicContact CG2-CG 3.65Å
199C77.4Confident69.6Low0 Ų089.8 Ų89.80%045%0.447CS..  trans-66108.8171.7-177.80000109.9F197 H201 C202 G203 K204 H215 H220F197-C199 PolarHBondContact O-N 2.83Å; C199-H201 PolarHBondContact O-N 2.88Å; C199-C202 PolarHBondContact O-N 3.37Å; C199-G203 PolarHBondContact O-N 3.31Å; C199-K204 PolarHBondContact N-O 3.41Å; C199-H215 PolarHBondContact SG-CD2 2.88Å; C199-H220 PolarHBondContact SG-CD2 3.44Å; C199-H220 PolarHBondContact SG-NE2 3.41Å
200H71.1Confident69.6Low159 Ų15990 Ų9074%0.73646%0.457SS*.THydrogen-bonded Turntrans-56.9-27.2-172.4-64.923.7000113.3T198T198-H200 PolarHBondContact O-N 2.88Å; T198-H200 PolarHBondContact O-ND1 3.36Å
201H63.6Low70.1Confident76 Ų7685.6 Ų85.635%0.35244%0.443SS..THydrogen-bonded Turntrans-82-5.4178.6-53.4-60.3000115.3C199 H220C199-H201 PolarHBondContact O-N 2.88Å; H201-H220 HydrophobicContact CB-CB 4.34Å; H201-H220 AromaticContact CD2-CD2 3.95Å; H201-H220 AromaticContact CD2-CG 3.78Å
202C64.4Low70.9Confident54 Ų5480.7 Ų80.737%0.36542%0.415SS..THydrogen-bonded Turntrans-160.515.3180660000116.2C199 K204 H215 H220C199-C202 PolarHBondContact O-N 3.37Å; C202-K204 PolarHBondContact O-N 3.46Å; C202-H215 PolarHBondContact SG-NE2 2.95Å; C202-H215 VanDerWaalsContact SG-NE2 3.44Å; C202-H220 PolarHBondContact SG-NE2 3.48Å
203G65.6Low71.2Confident52 Ų5286.5 Ų86.554%0.53644%0.438SS..  trans67.2-10.5179.900000116.6C199 Q205C199-G203 PolarHBondContact O-N 3.31Å; G203-Q205 PolarHBondContact O-N 2.82Å; G203-Q205 VanDerWaalsContact O-N 3.07Å
204K73.9Confident72.1Confident124 Ų12486.5 Ų86.554%0.53944%0.435SS..  trans-64.6111.9-171.2-69.8-173.8178.8-168.80112.4C199 C202C199-K204 PolarHBondContact N-O 3.41Å; C202-K204 PolarHBondContact O-N 3.46Å
205Q75.6Confident73Confident127 Ų12782.5 Ų82.559%0.59342%0.417SS*.EExtended strand (participates in β ladder)trans-68.9134.5172.3-73.4174.6-7.100111.3M196 F197 T198 G203M196-Q205 HydrophobicContact CB-CB 4.16Å; M196-Q205 HydrophobicContact CB-CG 4.18Å; F197-Q205 CarbonylContact O-C 3.55Å; F197-Q205 WeakPolarHBondContact O-CA 3.24Å; T198-Q205 HydrophobicContact CG2-CG 3.65Å; G203-Q205 PolarHBondContact O-N 2.82Å; G203-Q205 VanDerWaalsContact O-N 3.07Å
206L76.5Confident74Confident44 Ų4478.3 Ų78.323%0.2340%0.399CS..EExtended strand (participates in β ladder)trans-136.7131.2-176.4-68.2164000110.5F197 S208 M212 H215F197-L206 PolarHBondContact N-O 3.33Å; F197-L206 PolarHBondContact O-N 3.49Å; L206-S208 PolarHBondContact O-N 3.12Å; L206-M212 HydrophobicContact CD1-CB 4.26Å; L206-H215 HydrophobicContact CD1-CB 3.34Å
207R74Confident74.4Confident204 Ų20479 Ų7977%0.7740%0.403SS*.SBendtrans-68.913.6-173.1-60.5177.9176.5167.1-4.2115.5
208S76.4Confident74.3Confident55 Ų5579.5 Ų79.539%0.38541%0.414SS..SBendtrans-167.6149.8173.259.80000112.6L206 A210 G211 M212L206-S208 PolarHBondContact O-N 3.12Å; S208-A210 VanDerWaalsContact C-N 3.29Å; S208-A210 PolarHBondContact O-N 3.12Å; S208-G211 CarbonylContact O-C 3.53Å; S208-G211 WeakPolarHBondContact O-CA 3.13Å; S208-G211 PolarHBondContact O-N 3.13Å; S208-G211 PolarHBondContact OG-N 3.01Å; S208-M212 PolarHBondContact O-N 2.93Å
209L77.8Confident73.9Confident76 Ų7678.1 Ų78.140%0.39840%0.404SS..Hα-helixtrans-61.6-37.9176-161.5158.2000111.4F197 M212 K213F197-L209 HydrophobicContact CD1-CB 4.34Å; F197-L209 HydrophobicContact CD1-CG 4.35Å; F197-L209 HydrophobicContact CD2-CB 4.25Å; F197-L209 HydrophobicContact CE1-CB 3.88Å; F197-L209 HydrophobicContact CE1-CD1 3.8Å; F197-L209 HydrophobicContact CE1-CG 3.89Å; F197-L209 HydrophobicContact CE2-CB 3.79Å; F197-L209 HydrophobicContact CZ-CB 3.58Å; F197-L209 HydrophobicContact CZ-CD1 3.97Å; F197-L209 HydrophobicContact CZ-CG 4.08Å; L209-M212 PolarHBondContact O-N 3.41Å; L209-K213 HydrophobicContact CD2-CD 3.69Å; L209-K213 HydrophobicContact CD2-CG 4.16Å; L209-K213 PolarHBondContact O-N 3.44Å
210A78.2Confident73.4Confident56 Ų5679 Ų7946%0.46341%0.408SS..Hα-helixtrans-62.1-45.6171.700000111.4S208 M212 K213 Y214S208-A210 VanDerWaalsContact C-N 3.29Å; S208-A210 PolarHBondContact O-N 3.12Å; A210-M212 VanDerWaalsContact C-N 3.32Å; A210-M212 PolarHBondContact O-N 3.27Å; A210-K213 PolarHBondContact O-N 3.47Å; A210-Y214 VanDerWaalsContact O-CD2 3.32Å; A210-Y214 WeakPolarHBondContact O-CD2 3.36Å; A210-Y214 PolarHBondContact O-N 3.39Å
211G80.8Confident73.1Confident24 Ų2472.2 Ų72.225%0.24738%0.377CS..Hα-helixtrans-57.6-41.6172.800000112.7S208 H215S208-G211 CarbonylContact O-C 3.53Å; S208-G211 WeakPolarHBondContact O-CA 3.13Å; S208-G211 PolarHBondContact O-N 3.13Å; S208-G211 PolarHBondContact OG-N 3.01Å; G211-H215 WeakPolarHBondContact O-CB 3.41Å; G211-H215 PolarHBondContact O-N 3.07Å
212M81.4Confident72.7Confident39 Ų3972.7 Ų72.719%0.19239%0.389CS..Hα-helixtrans-63.9-45172.7-178.8175.758.600112.4F197 L206 S208 L209 A210 H215 V216F197-M212 HydrophobicContact CB-CB 3.87Å; F197-M212 HydrophobicContact CB-CE 4.03Å; F197-M212 HydrophobicContact CB-CG 4.36Å; F197-M212 HydrophobicContact CB-SD 3.81Å; F197-M212 HydrophobicContact CD1-CE 3.64Å; F197-M212 HydrophobicContact CD1-SD 4.47Å; F197-M212 HydrophobicContact CG-CE 4.13Å; L206-M212 HydrophobicContact CD1-CB 4.26Å; S208-M212 PolarHBondContact O-N 2.93Å; L209-M212 PolarHBondContact O-N 3.41Å; A210-M212 VanDerWaalsContact C-N 3.32Å; A210-M212 PolarHBondContact O-N 3.27Å; M212-H215 WeakPolarHBondContact O-CB 3.48Å; M212-H215 PolarHBondContact O-N 2.88Å; M212-V216 HydrophobicContact CG-CG2 4.25Å; M212-V216 WeakPolarHBondContact O-CG2 3.31Å; M212-V216 PolarHBondContact O-N 3.38Å
213K77.7Confident72.3Confident141 Ų14172.1 Ų72.161%0.61338%0.382SS*.Hα-helixtrans-61.8-45.5177.6-77.8177173.6168.70112L209 A210 V216 M217L209-K213 HydrophobicContact CD2-CD 3.69Å; L209-K213 HydrophobicContact CD2-CG 4.16Å; L209-K213 PolarHBondContact O-N 3.44Å; A210-K213 PolarHBondContact O-N 3.47Å; K213-V216 PolarHBondContact O-N 3.28Å; K213-M217 VanDerWaalsContact O-CB 3.31Å; K213-M217 WeakPolarHBondContact O-CB 3Å; K213-M217 PolarHBondContact O-N 3.41Å
214Y78.5Confident71.2Confident164 Ų16474.6 Ų74.664%0.64339%0.389SS*.Hα-helixtrans-63.8-39.7173.2-83.9-70.3000112.5A210 M217 A218A210-Y214 VanDerWaalsContact O-CD2 3.32Å; A210-Y214 WeakPolarHBondContact O-CD2 3.36Å; A210-Y214 PolarHBondContact O-N 3.39Å; Y214-M217 HydrophobicContact CD1-CE 3.6Å; Y214-M217 HydrophobicContact CE1-CE 3.76Å; Y214-A218 VanDerWaalsContact O-CB 3.31Å; Y214-A218 WeakPolarHBondContact O-CB 3.38Å; Y214-A218 PolarHBondContact O-N 3.02Å
215H78.2Confident69.8Low23 Ų2374.5 Ų74.511%0.10639%0.393CS..Hα-helixtrans-59.2-57.6174.1177.990.3000110.6C199 C202 L206 G211 M212 M217 A218 N219 H220C199-H215 PolarHBondContact SG-CD2 2.88Å; C202-H215 PolarHBondContact SG-NE2 2.95Å; C202-H215 VanDerWaalsContact SG-NE2 3.44Å; L206-H215 HydrophobicContact CD1-CB 3.34Å; G211-H215 WeakPolarHBondContact O-CB 3.41Å; G211-H215 PolarHBondContact O-N 3.07Å; M212-H215 WeakPolarHBondContact O-CB 3.48Å; M212-H215 PolarHBondContact O-N 2.88Å; H215-M217 VanDerWaalsContact C-N 3.32Å; H215-M217 PolarHBondContact O-N 3.4Å; H215-A218 CarbonylContact O-C 3.59Å; H215-A218 PolarHBondContact O-N 3.03Å; H215-A218 VanDerWaalsContact O-N 3.09Å; H215-N219 PolarHBondContact ND1-ND2 3.48Å; H215-N219 WeakPolarHBondContact O-CB 2.96Å; H215-N219 PolarHBondContact O-N 2.93Å; H215-N219 PolarHBondContact O-ND2 2.68Å; H215-H220 AromaticContact CD2-CD2 3.84Å; H215-H220 AromaticContact CD2-NE2 3.69Å; H215-H220 AromaticContact NE2-CD2 3.75Å; H215-H220 AromaticContact NE2-NE2 3.12Å; H215-H220 PolarHBondContact NE2-NE2 3.07Å; H215-H220 VanDerWaalsContact NE2-NE2 3.12Å
216V76.1Confident68.1Low38 Ų3873.3 Ų73.323%0.2339%0.39CS..Hα-helixtrans-54.8-46.3-179.4171.10000111.4M212 K213 A218 N219 H220 N221M212-V216 HydrophobicContact CG-CG2 4.25Å; M212-V216 WeakPolarHBondContact O-CG2 3.31Å; M212-V216 PolarHBondContact O-N 3.38Å; K213-V216 PolarHBondContact O-N 3.28Å; V216-A218 PolarHBondContact O-N 2.93Å; V216-N219 PolarHBondContact O-N 2.87Å; V216-H220 HydrophobicContact CG1-CB 4.5Å; V216-H220 CarbonylContact O-C 3.6Å; V216-H220 WeakPolarHBondContact O-CA 3.24Å; V216-H220 PolarHBondContact O-N 3.13Å; V216-N221 PolarHBondContact O-N 3.23Å; V216-N221 VanDerWaalsContact O-N 3.11Å
217M72.8Confident66.2Low100 Ų10080 Ų8049%0.49342%0.417SS..Hα-helixtrans-62-37178.1-176.9169.657.200113.5K213 Y214 H215K213-M217 VanDerWaalsContact O-CB 3.31Å; K213-M217 WeakPolarHBondContact O-CB 3Å; K213-M217 PolarHBondContact O-N 3.41Å; Y214-M217 HydrophobicContact CD1-CE 3.6Å; Y214-M217 HydrophobicContact CE1-CE 3.76Å; H215-M217 VanDerWaalsContact C-N 3.32Å; H215-M217 PolarHBondContact O-N 3.4Å
218A66.4Low64.7Low48 Ų4875.8 Ų75.840%0.39743%0.427SS..Hα-helixtrans-95.8-6.5-177.800000114.9Y214 H215 V216Y214-A218 VanDerWaalsContact O-CB 3.31Å; Y214-A218 WeakPolarHBondContact O-CB 3.38Å; Y214-A218 PolarHBondContact O-N 3.02Å; H215-A218 CarbonylContact O-C 3.59Å; H215-A218 PolarHBondContact O-N 3.03Å; H215-A218 VanDerWaalsContact O-N 3.09Å; V216-A218 PolarHBondContact O-N 2.93Å
219N64.6Low63.1Low37 Ų3776.5 Ų76.520%0.19844%0.443CS..Hα-helixtrans-125.5-35-172.1-73.2-85.7000114.5H215 V216 R252H215-N219 PolarHBondContact ND1-ND2 3.48Å; H215-N219 WeakPolarHBondContact O-CB 2.96Å; H215-N219 PolarHBondContact O-N 2.93Å; H215-N219 PolarHBondContact O-ND2 2.68Å; V216-N219 PolarHBondContact O-N 2.87Å; N219-R252 PolarHBondContact O-NE 3.3Å; N219-R252 PolarHBondContact O-NH2 2.84Å; N219-R252 PolarHBondContact OD1-NH1 2.92Å; N219-R252 PolarHBondContact OD1-NH2 2.98Å
220H68.3Low61.1Low18 Ų1879.2 Ų79.28%0.08346%0.457CS..SBendtrans-1209.6-178.4-51.3-60.1000111.3C199 H201 C202 H215 V216 S222C199-H220 PolarHBondContact SG-CD2 3.44Å; C199-H220 PolarHBondContact SG-NE2 3.41Å; H201-H220 HydrophobicContact CB-CB 4.34Å; H201-H220 AromaticContact CD2-CD2 3.95Å; H201-H220 AromaticContact CD2-CG 3.78Å; C202-H220 PolarHBondContact SG-NE2 3.48Å; H215-H220 AromaticContact CD2-CD2 3.84Å; H215-H220 AromaticContact CD2-NE2 3.69Å; H215-H220 AromaticContact NE2-CD2 3.75Å; H215-H220 AromaticContact NE2-NE2 3.12Å; H215-H220 PolarHBondContact NE2-NE2 3.07Å; H215-H220 VanDerWaalsContact NE2-NE2 3.12Å; V216-H220 HydrophobicContact CG1-CB 4.5Å; V216-H220 CarbonylContact O-C 3.6Å; V216-H220 WeakPolarHBondContact O-CA 3.24Å; V216-H220 PolarHBondContact O-N 3.13Å; H220-S222 PolarHBondContact O-N 2.78Å
221N64.8Low60Low17 Ų1786.2 Ų86.29%0.09148%0.48CS..THydrogen-bonded Turntrans56.516.4163.9-56.8-2.3000115.9V216 L223 V244 L248V216-N221 PolarHBondContact O-N 3.23Å; V216-N221 VanDerWaalsContact O-N 3.11Å; N221-L223 PolarHBondContact O-N 2.97Å; N221-V244 HydrophobicContact CB-CG1 3.91Å; N221-V244 VanDerWaalsContact ND2-CG1 3.28Å; N221-V244 WeakPolarHBondContact ND2-CG1 3.46Å; N221-L248 HydrophobicContact CB-CD1 4.28Å; N221-L248 WeakPolarHBondContact OD1-CD1 3.41Å
222S55.2Low58.5Low86 Ų8688.6 Ų88.660%0.60149%0.487SS*.THydrogen-bonded Turntrans49.240.1-178.854.80000113.9H220 P224H220-S222 PolarHBondContact O-N 2.78Å; S222-P224 WeakPolarHBondContact O-CD 3.36Å
223L55.5Low57.4Low41 Ų4190.9 Ų90.922%0.21550%0.5CS..  trans-88.4118.5171-68.6175.7000109.1N221 I225 M254N221-L223 PolarHBondContact O-N 2.97Å; L223-I225 PolarHBondContact O-N 3.36Å; L223-M254 HydrophobicContact CB-CE 3.86Å; L223-M254 HydrophobicContact CB-SD 3.91Å; L223-M254 HydrophobicContact CD1-SD 3.7Å; L223-M254 HydrophobicContact CG-SD 4.41Å
224P42.5Very low56.9Low104 Ų10488 Ų8868%0.67549%0.489SS*.  trans-57.4138163.9-19.932.7000109.2S222 L226S222-P224 WeakPolarHBondContact O-CD 3.36Å; P224-L226 PolarHBondContact O-N 2.79Å
225I45.2Very low56.2Low122 Ų12284 Ų8463%0.62648%0.483SS*.  trans-74.884.4173-57173.3000107.4L223 K227 M254L223-I225 PolarHBondContact O-N 3.36Å; I225-K227 PolarHBondContact O-N 2.96Å; I225-M254 HydrophobicContact CG1-CE 4.21Å
226L40.1Very low56.1Low103 Ų10386.4 Ų86.454%0.53950%0.499SS..  trans-63.5127.4163-64.9178.3000107.4P224 I232P224-L226 PolarHBondContact O-N 2.79Å; L226-I232 HydrophobicContact CB-CD1 4.34Å; L226-I232 HydrophobicContact CD1-CD1 3.59Å
227K36.6Very low56.2Low183 Ų18386.8 Ų86.880%0.79650%0.498SS*.  trans-65.2153.2-174.5-68.4-100.6-175.81660109.6I225 G229I225-K227 PolarHBondContact O-N 2.96Å; K227-G229 PolarHBondContact O-N 3.07Å
228A41.4Very low56.6Low117 Ų11785.6 Ų85.697%0.96749%0.488SS*.THydrogen-bonded Turntrans-67.4104.4171.700000109.1
229G43.6Very low57.3Low70 Ų7087.6 Ų87.672%0.72249%0.49SS*.THydrogen-bonded Turntrans-174.7-60.6-177.400000112.1K227K227-G229 PolarHBondContact O-N 3.07Å
230D36Very low58.2Low132 Ų13291.6 Ų91.671%0.70650%0.502SS*.SBendtrans-75.3138.2-172.2-60-38.5000113.9I232D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 HydrophobicContact CB-CG1 4.45Å; D230-I232 PolarHBondContact O-N 3.35Å
231E53.9Low58.9Low203 Ų20390.9 Ų90.995%0.94950%0.498SS*.  trans-73.476.4168.9-66.8-158133.600111.2D233E231-D233 PolarHBondContact O-N 3.3Å
232I50Low59.9Low75 Ų7595.3 Ų95.339%0.38551%0.514SS..  trans-66.8122.4171.7-58.1175.7000109.3L226 D230 E234 E237L226-I232 HydrophobicContact CB-CD1 4.34Å; L226-I232 HydrophobicContact CD1-CD1 3.59Å; D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 HydrophobicContact CB-CG1 4.45Å; D230-I232 PolarHBondContact O-N 3.35Å; I232-E234 PolarHBondContact O-N 3.34Å; I232-E237 HydrophobicContact CG2-CB 4.29Å
233D58.1Low61.1Low87 Ų8794 Ų9447%0.46550%0.502SS..  trans-42.2108.8172.6175.569.8000112E231 P235 T236 E237E231-D233 PolarHBondContact O-N 3.3Å; D233-P235 VanDerWaalsContact C-N 3.35Å; D233-P235 WeakPolarHBondContact OD1-CD 3.12Å; D233-P235 WeakPolarHBondContact OD2-CB 3.45Å; D233-T236 WeakPolarHBondContact O-CB 3.37Å; D233-T236 PolarHBondContact O-N 3.47Å; D233-T236 WeakPolarHBondContact OD2-CB 3.3Å; D233-T236 PolarHBondContact OD2-N 3.07Å; D233-T236 PolarHBondContact OD2-OG1 3.39Å; D233-E237 PolarHBondContact O-N 3.2Å; D233-E237 VanDerWaalsContact O-N 3.07Å
234E66.8Low62.3Low81 Ų8192.9 Ų92.938%0.37950%0.497SS..Hα-helixtrans-58-38.5-175.4-139.1-93-16800112.5I232 T236 R238I232-E234 PolarHBondContact O-N 3.34Å; E234-T236 PolarHBondContact O-N 3.46Å; E234-R238 WeakPolarHBondContact O-CB 3.48Å; E234-R238 PolarHBondContact O-N 3.1Å; E234-R238 IonicContact OE1-CZ 2.7Å; E234-R238 IonicContact OE1-NH2 3.98Å; E234-R238 PolarHBondContact OE1-NH2 3.46Å; E234-R238 IonicContact OE2-CZ 3.04Å; E234-R238 IonicContact OE2-NE 2.72Å; E234-R238 PolarHBondContact OE2-NE 3.24Å; E234-R238 IonicContact OE2-NH2 3.01Å; E234-R238 PolarHBondContact OE2-NH2 3.36Å
235P64.9Low64.4Low80 Ų8089.7 Ų89.752%0.51947%0.474SS..Hα-helixtrans-53.4-44.9166.4-26.633000115.1D233 R238 E239D233-P235 VanDerWaalsContact C-N 3.35Å; D233-P235 WeakPolarHBondContact OD1-CD 3.12Å; D233-P235 WeakPolarHBondContact OD2-CB 3.45Å; P235-R238 WeakPolarHBondContact O-CB 3.38Å; P235-R238 PolarHBondContact O-N 3.07Å; P235-E239 PolarHBondContact O-N 3.42Å
236T74.4Confident66.2Low72 Ų7293 Ų9344%0.44248%0.484SS..Hα-helixtrans-68.7-45.3-179.2-67.20000112D233 E234 R238 E239 R240D233-T236 WeakPolarHBondContact O-CB 3.37Å; D233-T236 PolarHBondContact O-N 3.47Å; D233-T236 WeakPolarHBondContact OD2-CB 3.3Å; D233-T236 PolarHBondContact OD2-N 3.07Å; D233-T236 PolarHBondContact OD2-OG1 3.39Å; E234-T236 PolarHBondContact O-N 3.46Å; T236-R238 VanDerWaalsContact C-N 3.3Å; T236-R238 PolarHBondContact O-N 3.45Å; T236-E239 PolarHBondContact O-N 3.1Å; T236-R240 PolarHBondContact O-N 3.21Å
237E78.9Confident67.8Low47 Ų4798 Ų9822%0.2250%0.496CS..Hα-helixtrans-66.1-36.3174.317852.7-158.500111.3I232 D233 E239 R240 L241I232-E237 HydrophobicContact CG2-CB 4.29Å; D233-E237 PolarHBondContact O-N 3.2Å; D233-E237 VanDerWaalsContact O-N 3.07Å; E237-E239 VanDerWaalsContact C-N 3.3Å; E237-E239 PolarHBondContact O-N 3.43Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 2.86Å; E237-R240 VanDerWaalsContact OE2-CD 3.27Å; E237-R240 WeakPolarHBondContact OE2-CD 3.47Å; E237-L241 HydrophobicContact CG-CD1 4.15Å; E237-L241 HydrophobicContact CG-CG 4.49Å; E237-L241 VanDerWaalsContact O-CG 3.27Å; E237-L241 WeakPolarHBondContact O-CG 3.43Å; E237-L241 PolarHBondContact O-N 3.15Å; E237-L241 WeakPolarHBondContact OE1-CG 3.39Å
238R81.2Confident69.6Low74 Ų7492.4 Ų92.428%0.27947%0.474SS..Hα-helixtrans-62-35.3172.8-175.8178.7-65.7-91.2-5112.4E234 P235 T236 R242 I265E234-R238 WeakPolarHBondContact O-CB 3.48Å; E234-R238 PolarHBondContact O-N 3.1Å; E234-R238 IonicContact OE1-CZ 2.7Å; E234-R238 IonicContact OE1-NH2 3.98Å; E234-R238 PolarHBondContact OE1-NH2 3.46Å; E234-R238 IonicContact OE2-CZ 3.04Å; E234-R238 IonicContact OE2-NE 2.72Å; E234-R238 PolarHBondContact OE2-NE 3.24Å; E234-R238 IonicContact OE2-NH2 3.01Å; E234-R238 PolarHBondContact OE2-NH2 3.36Å; P235-R238 WeakPolarHBondContact O-CB 3.38Å; P235-R238 PolarHBondContact O-N 3.07Å; T236-R238 VanDerWaalsContact C-N 3.3Å; T236-R238 PolarHBondContact O-N 3.45Å; R238-R242 WeakPolarHBondContact O-CG 3.45Å; R238-R242 PolarHBondContact O-N 3.31Å; R238-I265 HydrophobicContact CG-CG2 4.46Å
239E81.4Confident71.4Confident91 Ų9189.2 Ų89.243%0.42545%0.452SS..Hα-helixtrans-72.4-40.9171.8-170.156.7-12900112.3P235 T236 E237 L241 R242 T243P235-E239 PolarHBondContact O-N 3.42Å; T236-E239 PolarHBondContact O-N 3.1Å; E237-E239 VanDerWaalsContact C-N 3.3Å; E237-E239 PolarHBondContact O-N 3.43Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 PolarHBondContact O-N 2.82Å; E239-R242 WeakPolarHBondContact O-CA 3.47Å; E239-R242 WeakPolarHBondContact O-CB 3.32Å; E239-R242 PolarHBondContact O-N 2.92Å; E239-R242 VanDerWaalsContact OE2-CD 3.3Å; E239-R242 WeakPolarHBondContact OE2-CD 3.37Å; E239-R242 IonicContact OE2-CZ 2.65Å; E239-R242 IonicContact OE2-NE 3.28Å; E239-R242 IonicContact OE2-NH1 3.16Å; E239-R242 PolarHBondContact OE2-NH1 2.87Å; E239-T243 PolarHBondContact O-N 2.9Å
240R82.4Confident73.3Confident120 Ų12090.6 Ų90.645%0.45344%0.439SS..Hα-helixtrans-52.4-49.2170.4-76.7178.7153.5160.7-3110.8T236 E237 R242 T243 V244T236-R240 PolarHBondContact O-N 3.21Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 2.86Å; E237-R240 VanDerWaalsContact OE2-CD 3.27Å; E237-R240 WeakPolarHBondContact OE2-CD 3.47Å; R240-R242 VanDerWaalsContact C-N 3.33Å; R240-R242 PolarHBondContact O-N 2.9Å; R240-T243 PolarHBondContact O-N 3.37Å; R240-T243 VanDerWaalsContact O-N 3.07Å; R240-T243 PolarHBondContact O-OG1 3.23Å; R240-V244 WeakPolarHBondContact O-CG2 3.33Å; R240-V244 PolarHBondContact O-N 2.83Å
241L84.4Confident75.6Confident3 Ų384.4 Ų84.42%0.01641%0.406CS..Hα-helixtrans-63.9-31.3176.5-64168.4000113.2E237 E239 L245 L251 I265 Y268 L269E237-L241 HydrophobicContact CG-CD1 4.15Å; E237-L241 HydrophobicContact CG-CG 4.49Å; E237-L241 VanDerWaalsContact O-CG 3.27Å; E237-L241 WeakPolarHBondContact O-CG 3.43Å; E237-L241 PolarHBondContact O-N 3.15Å; E237-L241 WeakPolarHBondContact OE1-CG 3.39Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 PolarHBondContact O-N 2.82Å; L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 PolarHBondContact O-N 3.03Å; L241-L251 HydrophobicContact CB-CD1 4.24Å; L241-L251 HydrophobicContact CB-CD2 4.49Å; L241-L251 HydrophobicContact CD2-CD1 4.17Å; L241-L251 HydrophobicContact CD2-CD2 3.85Å; L241-I265 HydrophobicContact CB-CD1 4.3Å; L241-I265 HydrophobicContact CB-CG1 4.1Å; L241-I265 HydrophobicContact CB-CG2 3.88Å; L241-I265 HydrophobicContact CD1-CG2 3.95Å; L241-Y268 HydrophobicContact CD1-CD1 3.88Å; L241-Y268 HydrophobicContact CD1-CE1 3.87Å; L241-Y268 HydrophobicContact CD2-CD1 3.9Å; L241-Y268 HydrophobicContact CD2-CE1 3.52Å; L241-Y268 HydrophobicContact CG-CE1 4.37Å; L241-L269 HydrophobicContact CD1-CD2 3.97Å; L241-L269 HydrophobicContact CD1-CG 4.4Å
242R85.2Confident77Confident111 Ų11177.3 Ų77.342%0.41937%0.37SS..Hα-helixtrans-63.1-47.4167.8-71.7-178-162100.30.8111.4R238 E239 R240 V244 L245 K246 I265R238-R242 WeakPolarHBondContact O-CG 3.45Å; R238-R242 PolarHBondContact O-N 3.31Å; E239-R242 WeakPolarHBondContact O-CA 3.47Å; E239-R242 WeakPolarHBondContact O-CB 3.32Å; E239-R242 PolarHBondContact O-N 2.92Å; E239-R242 VanDerWaalsContact OE2-CD 3.3Å; E239-R242 WeakPolarHBondContact OE2-CD 3.37Å; E239-R242 IonicContact OE2-CZ 2.65Å; E239-R242 IonicContact OE2-NE 3.28Å; E239-R242 IonicContact OE2-NH1 3.16Å; E239-R242 PolarHBondContact OE2-NH1 2.87Å; R240-R242 VanDerWaalsContact C-N 3.33Å; R240-R242 PolarHBondContact O-N 2.9Å; R242-V244 PolarHBondContact O-N 2.84Å; R242-L245 PolarHBondContact O-N 3.15Å; R242-K246 WeakPolarHBondContact O-CB 3.39Å; R242-K246 PolarHBondContact O-N 2.9Å; R242-I265 HydrophobicContact CB-CD1 4.07Å; R242-I265 HydrophobicContact CG-CD1 3.3Å
243T81.6Confident78.6Confident58 Ų5874.3 Ų74.336%0.35636%0.356SS..Hα-helixtrans-64.5-39.4-179.769.80000112.5E239 R240 K246 R247E239-T243 PolarHBondContact O-N 2.9Å; R240-T243 PolarHBondContact O-N 3.37Å; R240-T243 VanDerWaalsContact O-N 3.07Å; R240-T243 PolarHBondContact O-OG1 3.23Å; T243-K246 PolarHBondContact O-N 3.18Å; T243-R247 WeakPolarHBondContact O-CB 3.36Å; T243-R247 VanDerWaalsContact O-CG 3.3Å; T243-R247 WeakPolarHBondContact O-CG 3.48Å; T243-R247 PolarHBondContact O-N 3.12Å
244V80.6Confident79.3Confident17 Ų1773.7 Ų73.710%0.10335%0.351CS..Hα-helixtrans-67.8-47.1177.2176.50000110.9N221 R240 R242 K246 R247 L248 L251N221-V244 HydrophobicContact CB-CG1 3.91Å; N221-V244 VanDerWaalsContact ND2-CG1 3.28Å; N221-V244 WeakPolarHBondContact ND2-CG1 3.46Å; R240-V244 WeakPolarHBondContact O-CG2 3.33Å; R240-V244 PolarHBondContact O-N 2.83Å; R242-V244 PolarHBondContact O-N 2.84Å; V244-K246 VanDerWaalsContact C-N 3.28Å; V244-K246 PolarHBondContact O-N 3.42Å; V244-R247 PolarHBondContact O-N 3.44Å; V244-R247 VanDerWaalsContact O-N 3.13Å; V244-L248 HydrophobicContact CG1-CD1 4.16Å; V244-L248 PolarHBondContact O-N 3.47Å; V244-L251 HydrophobicContact CB-CD2 3.97Å; V244-L251 HydrophobicContact CG1-CD2 3.7Å
245L85.4Confident79.5Confident37 Ų3774.3 Ų74.319%0.19435%0.35CS..Hα-helixtrans-60.6-38.2176-177.662.3000111.7L241 R242 G249 L251 I265L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 PolarHBondContact O-N 3.03Å; R242-L245 PolarHBondContact O-N 3.15Å; L245-G249 WeakPolarHBondContact CD1-O 3.47Å; L245-G249 VanDerWaalsContact O-CA 3.28Å; L245-G249 WeakPolarHBondContact O-CA 3.41Å; L245-G249 PolarHBondContact O-N 2.82Å; L245-L251 HydrophobicContact CB-CD2 4.32Å; L245-L251 HydrophobicContact CB-CG 4.3Å; L245-L251 HydrophobicContact CD1-CG 4.41Å; L245-I265 HydrophobicContact CD2-CG1 3.96Å
246K82.6Confident79.4Confident192 Ų19279 Ų7984%0.83537%0.365SS*.Hα-helixtrans-69.5-27176.2-172.2173.5-177.91770113.6R242 T243 V244R242-K246 WeakPolarHBondContact O-CB 3.39Å; R242-K246 PolarHBondContact O-N 2.9Å; T243-K246 PolarHBondContact O-N 3.18Å; V244-K246 VanDerWaalsContact C-N 3.28Å; V244-K246 PolarHBondContact O-N 3.42Å
247R74Confident78.9Confident209 Ų20981 Ų8179%0.78938%0.382SS*.Hα-helixtrans-87.8-35.6177.7-74.7175-179.2-174.62.5113.7T243 V244T243-R247 WeakPolarHBondContact O-CB 3.36Å; T243-R247 VanDerWaalsContact O-CG 3.3Å; T243-R247 WeakPolarHBondContact O-CG 3.48Å; T243-R247 PolarHBondContact O-N 3.12Å; V244-R247 PolarHBondContact O-N 3.44Å; V244-R247 VanDerWaalsContact O-N 3.13Å
248L74.8Confident78.8Confident65 Ų6579.7 Ų79.734%0.3438%0.377SS..Hα-helixtrans-119.8-5-168.2-61.1177.6000114.5N221 V244 K250N221-L248 HydrophobicContact CB-CD1 4.28Å; N221-L248 WeakPolarHBondContact OD1-CD1 3.41Å; V244-L248 HydrophobicContact CG1-CD1 4.16Å; V244-L248 PolarHBondContact O-N 3.47Å; L248-K250 PolarHBondContact O-N 2.89Å
249G79.6Confident78.6Confident49 Ų4981.8 Ų81.851%0.50540%0.403SS..SBendtrans70.2-14.1178.900000115.7L245L245-G249 WeakPolarHBondContact CD1-O 3.47Å; L245-G249 VanDerWaalsContact O-CA 3.28Å; L245-G249 WeakPolarHBondContact O-CA 3.41Å; L245-G249 PolarHBondContact O-N 2.82Å
250K83.7Confident78.5Confident100 Ų10079.5 Ų79.544%0.43540%0.398SS..  trans-149.1139.5177.859.8-169.4172.6-173.90112.3L248 F262L248-K250 PolarHBondContact O-N 2.89Å; K250-F262 WeakPolarHBondContact CA-O 3.37Å
251L84.4Confident78.6Confident2 Ų276.9 Ų76.91%0.0140%0.398CS..EExtended strand (participates in β ladder)trans-88.3151.3165.1-59.6171.3000108.8L241 V244 L245 S261 F262 I265 Y268L241-L251 HydrophobicContact CB-CD1 4.24Å; L241-L251 HydrophobicContact CB-CD2 4.49Å; L241-L251 HydrophobicContact CD2-CD1 4.17Å; L241-L251 HydrophobicContact CD2-CD2 3.85Å; V244-L251 HydrophobicContact CB-CD2 3.97Å; V244-L251 HydrophobicContact CG1-CD2 3.7Å; L245-L251 HydrophobicContact CB-CD2 4.32Å; L245-L251 HydrophobicContact CB-CG 4.3Å; L245-L251 HydrophobicContact CD1-CG 4.41Å; L251-S261 CarbonylContact O-C 3.56Å; L251-S261 WeakPolarHBondContact O-CA 3.46Å; L251-S261 WeakPolarHBondContact O-CB 3.21Å; L251-F262 PolarHBondContact N-O 3.37Å; L251-F262 PolarHBondContact O-N 2.82Å; L251-I265 HydrophobicContact CD1-CB 4.35Å; L251-I265 HydrophobicContact CD1-CG1 3.98Å; L251-Y268 HydrophobicContact CB-CD2 3.91Å; L251-Y268 HydrophobicContact CB-CE2 4.49Å; L251-Y268 HydrophobicContact CB-CG 3.97Å; L251-Y268 HydrophobicContact CD1-CD1 4Å; L251-Y268 HydrophobicContact CD1-CG 3.88Å
252R82.4Confident78.6Confident53 Ų5379 Ų7920%0.241%0.407CS..EExtended strand (participates in β ladder)trans-133.2149.5175.7-56.9-143-58.1-119.423110.7N219 S260 Y268N219-R252 PolarHBondContact O-NE 3.3Å; N219-R252 PolarHBondContact O-NH2 2.84Å; N219-R252 PolarHBondContact OD1-NH1 2.92Å; N219-R252 PolarHBondContact OD1-NH2 2.98Å; R252-S260 WeakPolarHBondContact CA-O 3.48Å; R252-Y268 VanDerWaalsContact O-CE2 3.28Å; R252-Y268 WeakPolarHBondContact O-CE2 3.14Å
253C83.8Confident78.8Confident13 Ų1379.4 Ų79.49%0.08842%0.422CS..  trans-64.6142.5172-152.10000110.4C258 S260 H271C253-C258 HydrophobicContact CB-CB 3.96Å; C253-S260 PolarHBondContact N-O 3.18Å; C253-H271 WeakPolarHBondContact CB-NE2 3.31Å; C253-H271 PolarHBondContact SG-NE2 3.45Å
254M72.6Confident79Confident74 Ų7479.3 Ų79.337%0.36542%0.424SS..  trans-98.83.4177.6-65.41776800113L223 I225L223-M254 HydrophobicContact CB-CE 3.86Å; L223-M254 HydrophobicContact CB-SD 3.91Å; L223-M254 HydrophobicContact CD1-SD 3.7Å; L223-M254 HydrophobicContact CG-SD 4.41Å; I225-M254 HydrophobicContact CG1-CE 4.21Å
255R71.8Confident79.3Confident93 Ų9379.5 Ų79.535%0.35142%0.424SS..SBendtrans-82.2131.7175.5-57.2-166.5-165.4-149.614109.6S257 C258 V272 C275 G276R255-S257 VanDerWaalsContact C-N 3.26Å; R255-S257 PolarHBondContact O-N 2.92Å; R255-S257 VanDerWaalsContact O-N 3.16Å; R255-C258 HydrophobicContact CB-CB 4.41Å; R255-C258 PolarHBondContact O-N 2.83Å; R255-V272 PolarHBondContact NH2-O 3.45Å; R255-C275 PolarHBondContact NE-O 3Å; R255-C275 PolarHBondContact NH1-O 2.86Å; R255-C275 PolarHBondContact NH2-O 3.07Å; R255-G276 PolarHBondContact NH1-O 2.88Å
256E62.5Low79.3Confident180 Ų18084.5 Ų84.584%0.84145%0.448SS*.THydrogen-bonded Turntrans-56.9-35.5-169.8-63.8167.1161.100113.6C258E256-C258 VanDerWaalsContact C-N 3.27Å; E256-C258 PolarHBondContact O-N 2.65Å
257S63.2Low79.3Confident113 Ų11376.6 Ų76.679%0.7942%0.421SS*.THydrogen-bonded Turntrans-80.26.7176.556.30000115R255R255-S257 VanDerWaalsContact C-N 3.26Å; R255-S257 PolarHBondContact O-N 2.92Å; R255-S257 VanDerWaalsContact O-N 3.16Å
258C76.6Confident79.9Confident19 Ų1967.7 Ų67.713%0.12839%0.387CS..  trans-131.9109.2-172.2-170.60000115.1C253 R255 E256 S260 H271 C275C253-C258 HydrophobicContact CB-CB 3.96Å; R255-C258 HydrophobicContact CB-CB 4.41Å; R255-C258 PolarHBondContact O-N 2.83Å; E256-C258 VanDerWaalsContact C-N 3.27Å; E256-C258 PolarHBondContact O-N 2.65Å; C258-S260 VanDerWaalsContact C-N 3.33Å; C258-S260 PolarHBondContact O-N 3.47Å; C258-S260 VanDerWaalsContact SG-CB 3.51Å; C258-S260 PolarHBondContact SG-OG 3.45Å; C258-H271 PolarHBondContact SG-CE1 3.39Å; C258-H271 PolarHBondContact SG-NE2 2.88Å; C258-C275 WeakPolarHBondContact CB-SG 3.32Å; C258-C275 VanDerWaalsContact SG-SG 3.63Å
259S77.3Confident80.3Confident118 Ų11866.2 Ų66.283%0.82538%0.38SS*.  trans-83.42.9174.757.30000115.1
260S78.9Confident80.4Confident44 Ų4469.3 Ų69.331%0.30838%0.377SS..  trans-64.5136.5-169.6-65.20000113.4R252 C253 C258R252-S260 WeakPolarHBondContact CA-O 3.48Å; C253-S260 PolarHBondContact N-O 3.18Å; C258-S260 VanDerWaalsContact C-N 3.33Å; C258-S260 PolarHBondContact O-N 3.47Å; C258-S260 VanDerWaalsContact SG-CB 3.51Å; C258-S260 PolarHBondContact SG-OG 3.45Å
261S85.1Confident80.5Confident65 Ų6566 Ų6646%0.45536%0.363SS..EExtended strand (participates in β ladder)trans-129.9143.9177.4750000113.4L251L251-S261 CarbonylContact O-C 3.56Å; L251-S261 WeakPolarHBondContact O-CA 3.46Å; L251-S261 WeakPolarHBondContact O-CB 3.21Å
262F85.6Confident80.4Confident48 Ų4868.1 Ų68.121%0.21138%0.376CS..EExtended strand (participates in β ladder)trans-134.4133-168-57.5-84.7000111.9K250 L251 S264 Y268 H271K250-F262 WeakPolarHBondContact CA-O 3.37Å; L251-F262 PolarHBondContact N-O 3.37Å; L251-F262 PolarHBondContact O-N 2.82Å; F262-S264 VanDerWaalsContact C-N 3.27Å; F262-Y268 HydrophobicContact CD2-CD2 4.11Å; F262-H271 HydrophobicContact CE1-CB 3.96Å; F262-H271 HydrophobicContact CE2-CB 3.69Å; F262-H271 AromaticContact CE2-CD2 3.48Å; F262-H271 VanDerWaalsContact CE2-CD2 3.48Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.09Å; F262-H271 AromaticContact CE2-CG 3.44Å; F262-H271 VanDerWaalsContact CE2-CG 3.44Å; F262-H271 HydrophobicContact CZ-CB 3.35Å; F262-H271 AromaticContact CZ-CD2 3.8Å; F262-H271 AromaticContact CZ-CG 3.25Å; F262-H271 AromaticContact CZ-ND1 3.56Å
263T87.8Confident80.3Confident118 Ų11872.8 Ų72.872%0.72439%0.393SS*.SBendtrans-86.56172.451.90000113.2
264S86.4Confident80Confident57 Ų5774.2 Ų74.240%0.39940%0.398SS..SBendtrans-140.4132-179.8173.30000111.1F262 M266 G267 Y268F262-S264 VanDerWaalsContact C-N 3.27Å; S264-M266 PolarHBondContact O-N 3.35Å; S264-M266 PolarHBondContact OG-N 3.3Å; S264-G267 PolarHBondContact O-N 3.16Å; S264-G267 VanDerWaalsContact O-N 3.15Å; S264-Y268 PolarHBondContact O-N 2.88Å
265I87Confident80.3Confident21 Ų2171.5 Ų71.511%0.10839%0.386CS..Hα-helixtrans-56.5-40.8175.6-56168.9000110.7R238 L241 R242 L245 L251 G267 Y268 L269R238-I265 HydrophobicContact CG-CG2 4.46Å; L241-I265 HydrophobicContact CB-CD1 4.3Å; L241-I265 HydrophobicContact CB-CG1 4.1Å; L241-I265 HydrophobicContact CB-CG2 3.88Å; L241-I265 HydrophobicContact CD1-CG2 3.95Å; R242-I265 HydrophobicContact CB-CD1 4.07Å; R242-I265 HydrophobicContact CG-CD1 3.3Å; L245-I265 HydrophobicContact CD2-CG1 3.96Å; L251-I265 HydrophobicContact CD1-CB 4.35Å; L251-I265 HydrophobicContact CD1-CG1 3.98Å; I265-G267 VanDerWaalsContact C-N 3.33Å; I265-G267 PolarHBondContact O-N 2.89Å; I265-Y268 WeakPolarHBondContact O-CB 2.86Å; I265-Y268 PolarHBondContact O-N 3.44Å; I265-L269 HydrophobicContact CG2-CD1 3.9Å; I265-L269 HydrophobicContact CG2-CG 4.23Å; I265-L269 WeakPolarHBondContact O-CB 3.37Å; I265-L269 WeakPolarHBondContact O-CG 3.29Å; I265-L269 PolarHBondContact O-N 3.04Å
266M84.3Confident80.1Confident142 Ų14269.6 Ų69.670%0.740%0.396SS*.Hα-helixtrans-71.8-29.5-178.1-165.3152.86200112.3S264 Y270S264-M266 PolarHBondContact O-N 3.35Å; S264-M266 PolarHBondContact OG-N 3.3Å; M266-Y270 WeakPolarHBondContact O-CB 2.85Å; M266-Y270 PolarHBondContact O-N 3.01Å; M266-Y270 VanDerWaalsContact O-N 3.17Å
267G84.4Confident80.7Confident26 Ų2664.1 Ų64.127%0.26837%0.369SS..Hα-helixtrans-69.7-43.7169.200000112.2S264 I265 Y270 H271S264-G267 PolarHBondContact O-N 3.16Å; S264-G267 VanDerWaalsContact O-N 3.15Å; I265-G267 VanDerWaalsContact C-N 3.33Å; I265-G267 PolarHBondContact O-N 2.89Å; G267-Y270 PolarHBondContact O-N 2.72Å; G267-H271 WeakPolarHBondContact O-CB 3.09Å; G267-H271 PolarHBondContact O-N 3.03Å
268Y85.2Confident80.8Confident22 Ų2260.9 Ų60.99%0.08635%0.354CS..Hα-helixtrans-60-49.9174.9174.1-105.6000112.3L241 L251 R252 F262 S264 I265 Y270 H271 V272L241-Y268 HydrophobicContact CD1-CD1 3.88Å; L241-Y268 HydrophobicContact CD1-CE1 3.87Å; L241-Y268 HydrophobicContact CD2-CD1 3.9Å; L241-Y268 HydrophobicContact CD2-CE1 3.52Å; L241-Y268 HydrophobicContact CG-CE1 4.37Å; L251-Y268 HydrophobicContact CB-CD2 3.91Å; L251-Y268 HydrophobicContact CB-CE2 4.49Å; L251-Y268 HydrophobicContact CB-CG 3.97Å; L251-Y268 HydrophobicContact CD1-CD1 4Å; L251-Y268 HydrophobicContact CD1-CG 3.88Å; R252-Y268 VanDerWaalsContact O-CE2 3.28Å; R252-Y268 WeakPolarHBondContact O-CE2 3.14Å; F262-Y268 HydrophobicContact CD2-CD2 4.11Å; S264-Y268 PolarHBondContact O-N 2.88Å; I265-Y268 WeakPolarHBondContact O-CB 2.86Å; I265-Y268 PolarHBondContact O-N 3.44Å; Y268-Y270 PolarHBondContact O-N 3.25Å; Y268-H271 CarbonylContact O-C 3.51Å; Y268-H271 WeakPolarHBondContact O-CB 3.19Å; Y268-H271 PolarHBondContact O-N 3.18Å; Y268-H271 VanDerWaalsContact O-N 3.11Å; Y268-V272 HydrophobicContact CD1-CG2 4.29Å; Y268-V272 HydrophobicContact CD2-CG2 3.97Å; Y268-V272 HydrophobicContact CE1-CG2 3.91Å; Y268-V272 HydrophobicContact CE2-CG2 3.53Å; Y268-V272 HydrophobicContact CG-CG2 4.34Å; Y268-V272 WeakPolarHBondContact O-CG2 3.26Å; Y268-V272 PolarHBondContact O-N 2.7Å
269L83.7Confident80.1Confident34 Ų3464 Ų6418%0.17838%0.381CS..Hα-helixtrans-63.3-40178.8-69173.2000112.5L241 I265 H271 R273L241-L269 HydrophobicContact CD1-CD2 3.97Å; L241-L269 HydrophobicContact CD1-CG 4.4Å; I265-L269 HydrophobicContact CG2-CD1 3.9Å; I265-L269 HydrophobicContact CG2-CG 4.23Å; I265-L269 WeakPolarHBondContact O-CB 3.37Å; I265-L269 WeakPolarHBondContact O-CG 3.29Å; I265-L269 PolarHBondContact O-N 3.04Å; L269-H271 VanDerWaalsContact C-N 3.3Å; L269-H271 PolarHBondContact O-N 2.98Å; L269-R273 WeakPolarHBondContact O-CB 3.28Å; L269-R273 PolarHBondContact O-N 3.11Å
270Y82.3Confident79.3Confident114 Ų11461.5 Ų61.545%0.44737%0.367SS..Hα-helixtrans-62.1-38.8172.9174.4-100.6000112M266 G267 Y268 K274M266-Y270 WeakPolarHBondContact O-CB 2.85Å; M266-Y270 PolarHBondContact O-N 3.01Å; M266-Y270 VanDerWaalsContact O-N 3.17Å; G267-Y270 PolarHBondContact O-N 2.72Å; Y268-Y270 PolarHBondContact O-N 3.25Å; Y270-K274 HydrophobicContact CE1-CD 4.38Å; Y270-K274 HydrophobicContact CE2-CD 4.12Å; Y270-K274 PolarHBondContact OH-NZ 2.81Å
271H84.8Confident78.8Confident29 Ų2963.5 Ų63.513%0.13437%0.371CS..Hα-helixtrans-69.3-49.9176.4170.779.8000112.6C253 C258 F262 G267 Y268 L269 R273 K274 C275C253-H271 WeakPolarHBondContact CB-NE2 3.31Å; C253-H271 PolarHBondContact SG-NE2 3.45Å; C258-H271 PolarHBondContact SG-CE1 3.39Å; C258-H271 PolarHBondContact SG-NE2 2.88Å; F262-H271 HydrophobicContact CE1-CB 3.96Å; F262-H271 HydrophobicContact CE2-CB 3.69Å; F262-H271 AromaticContact CE2-CD2 3.48Å; F262-H271 VanDerWaalsContact CE2-CD2 3.48Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.09Å; F262-H271 AromaticContact CE2-CG 3.44Å; F262-H271 VanDerWaalsContact CE2-CG 3.44Å; F262-H271 HydrophobicContact CZ-CB 3.35Å; F262-H271 AromaticContact CZ-CD2 3.8Å; F262-H271 AromaticContact CZ-CG 3.25Å; F262-H271 AromaticContact CZ-ND1 3.56Å; G267-H271 WeakPolarHBondContact O-CB 3.09Å; G267-H271 PolarHBondContact O-N 3.03Å; Y268-H271 CarbonylContact O-C 3.51Å; Y268-H271 WeakPolarHBondContact O-CB 3.19Å; Y268-H271 PolarHBondContact O-N 3.18Å; Y268-H271 VanDerWaalsContact O-N 3.11Å; L269-H271 VanDerWaalsContact C-N 3.3Å; L269-H271 PolarHBondContact O-N 2.98Å; H271-R273 PolarHBondContact O-N 3.33Å; H271-K274 PolarHBondContact O-N 3.49Å; H271-C275 WeakPolarHBondContact O-CB 3.46Å; H271-C275 PolarHBondContact O-N 2.84Å
272V82.6Confident77.8Confident47 Ų4762.6 Ų62.629%0.28536%0.361SS..Hα-helixtrans-57.9-35.2-179.5169.40000111.9R255 Y268 K274R255-V272 PolarHBondContact NH2-O 3.45Å; Y268-V272 HydrophobicContact CD1-CG2 4.29Å; Y268-V272 HydrophobicContact CD2-CG2 3.97Å; Y268-V272 HydrophobicContact CE1-CG2 3.91Å; Y268-V272 HydrophobicContact CE2-CG2 3.53Å; Y268-V272 HydrophobicContact CG-CG2 4.34Å; Y268-V272 WeakPolarHBondContact O-CG2 3.26Å; Y268-V272 PolarHBondContact O-N 2.7Å; V272-K274 PolarHBondContact O-N 2.96Å
273R81.3Confident76.7Confident152 Ų15266.4 Ų66.457%0.57438%0.38SS*.THydrogen-bonded Turntrans-64.1-19.4175.6-168.6175.1-62.2176.90.2114.2L269 H271 K277 M285L269-R273 WeakPolarHBondContact O-CB 3.28Å; L269-R273 PolarHBondContact O-N 3.11Å; H271-R273 PolarHBondContact O-N 3.33Å; R273-K277 WeakPolarHBondContact O-CD 3.48Å; R273-M285 HydrophobicContact CG-SD 4.37Å
274K76.5Confident75.7Confident42 Ų4269.7 Ų69.718%0.18338%0.384CS..THydrogen-bonded Turntrans-123.9-27.4-173.2-74.5-171.2162.3-163.80115.6Y270 H271 V272 L282 R297Y270-K274 HydrophobicContact CE1-CD 4.38Å; Y270-K274 HydrophobicContact CE2-CD 4.12Å; Y270-K274 PolarHBondContact OH-NZ 2.81Å; H271-K274 PolarHBondContact O-N 3.49Å; V272-K274 PolarHBondContact O-N 2.96Å; K274-L282 HydrophobicContact CB-CD1 4.31Å; K274-L282 HydrophobicContact CD-CD1 3.87Å; K274-L282 HydrophobicContact CG-CD1 3.96Å; K274-R297 PolarHBondContact NZ-O 3.43Å
275C79.1Confident74.9Confident17 Ų1770.7 Ų70.712%0.11538%0.384CS..THydrogen-bonded Turntrans-56.1141.5174.3-171.20000109.5R255 C258 H271 K277R255-C275 PolarHBondContact NE-O 3Å; R255-C275 PolarHBondContact NH1-O 2.86Å; R255-C275 PolarHBondContact NH2-O 3.07Å; C258-C275 WeakPolarHBondContact CB-SG 3.32Å; C258-C275 VanDerWaalsContact SG-SG 3.63Å; H271-C275 WeakPolarHBondContact O-CB 3.46Å; H271-C275 PolarHBondContact O-N 2.84Å; C275-K277 VanDerWaalsContact C-N 3.29Å; C275-K277 PolarHBondContact O-N 3.34Å
276G68.2Low74.6Confident54 Ų5470.7 Ų70.756%0.55738%0.384SS*.THydrogen-bonded Turntrans53.44217500000114.5R255R255-G276 PolarHBondContact NH1-O 2.88Å
277K74.5Confident74.5Confident65 Ų6567.4 Ų67.428%0.28337%0.369SS..  trans-120141169.5-73.4-162.7160.1-102.60109.7R273 C275 E281 M285R273-K277 WeakPolarHBondContact O-CD 3.48Å; C275-K277 VanDerWaalsContact C-N 3.29Å; C275-K277 PolarHBondContact O-N 3.34Å; K277-E281 HydrophobicContact CB-CB 4.16Å; K277-E281 VanDerWaalsContact CB-OE2 3.3Å; K277-E281 WeakPolarHBondContact CB-OE2 3.39Å; K277-E281 HydrophobicContact CD-CB 4.34Å; K277-E281 WeakPolarHBondContact CD-OE2 3.38Å; K277-E281 WeakPolarHBondContact CE-OE2 3.46Å; K277-E281 WeakPolarHBondContact CG-OE2 3.37Å; K277-E281 IonicContact NZ-OE1 2.88Å; K277-E281 PolarHBondContact NZ-OE1 2.93Å; K277-E281 IonicContact NZ-OE2 2.87Å; K277-E281 PolarHBondContact NZ-OE2 2.83Å; K277-M285 HydrophobicContact CD-CE 4.45Å
278G65.9Low74.7Confident45 Ų4573.7 Ų73.746%0.46439%0.389SS..  trans-65.7159179.600000112.6A280 E281 L282G278-A280 VanDerWaalsContact C-N 3.27Å; G278-A280 PolarHBondContact O-N 3.37Å; G278-E281 PolarHBondContact O-N 3.18Å; G278-L282 PolarHBondContact O-N 3.15Å
279A61Low74.9Confident84 Ų8472.9 Ų72.969%0.69439%0.387SS*.Hα-helixtrans-54.1-42.5-178.400000112.6E281 L282 E283A279-E281 PolarHBondContact O-N 2.86Å; A279-L282 WeakPolarHBondContact O-CB 3.12Å; A279-L282 PolarHBondContact O-N 2.94Å; A279-E283 WeakPolarHBondContact O-CB 3.39Å; A279-E283 PolarHBondContact O-N 2.87Å
280A60.3Low75.1Confident65 Ų6579.9 Ų79.954%0.53742%0.418SS..Hα-helixtrans-64.5-33.1176.800000114G278 K284G278-A280 VanDerWaalsContact C-N 3.27Å; G278-A280 PolarHBondContact O-N 3.37Å; A280-K284 WeakPolarHBondContact O-CG 3.43Å; A280-K284 PolarHBondContact O-N 3.32Å
281E68.9Low75.1Confident86 Ų8680.4 Ų80.440%0.40242%0.424SS..Hα-helixtrans-71.6-39.7171.8-73-155.3116.300111.7K277 G278 A279 E283 K284 M285K277-E281 HydrophobicContact CB-CB 4.16Å; K277-E281 VanDerWaalsContact CB-OE2 3.3Å; K277-E281 WeakPolarHBondContact CB-OE2 3.39Å; K277-E281 HydrophobicContact CD-CB 4.34Å; K277-E281 WeakPolarHBondContact CD-OE2 3.38Å; K277-E281 WeakPolarHBondContact CE-OE2 3.46Å; K277-E281 WeakPolarHBondContact CG-OE2 3.37Å; K277-E281 IonicContact NZ-OE1 2.88Å; K277-E281 PolarHBondContact NZ-OE1 2.93Å; K277-E281 IonicContact NZ-OE2 2.87Å; K277-E281 PolarHBondContact NZ-OE2 2.83Å; G278-E281 PolarHBondContact O-N 3.18Å; A279-E281 PolarHBondContact O-N 2.86Å; E281-E283 PolarHBondContact O-N 3.09Å; E281-K284 PolarHBondContact O-N 2.99Å; E281-M285 WeakPolarHBondContact O-CG 3.1Å; E281-M285 PolarHBondContact O-N 3.48Å
282L63.7Low75.2Confident46 Ų4681.5 Ų81.524%0.24144%0.435CS..Hα-helixtrans-65.5-32177.1-168.568.3000111.5K274 G278 A279 M285 T286K274-L282 HydrophobicContact CB-CD1 4.31Å; K274-L282 HydrophobicContact CD-CD1 3.87Å; K274-L282 HydrophobicContact CG-CD1 3.96Å; G278-L282 PolarHBondContact O-N 3.15Å; A279-L282 WeakPolarHBondContact O-CB 3.12Å; A279-L282 PolarHBondContact O-N 2.94Å; L282-M285 CarbonylContact O-C 3.59Å; L282-M285 PolarHBondContact O-N 3.45Å; L282-T286 PolarHBondContact O-N 3.2Å; L282-T286 PolarHBondContact O-OG1 3.29Å
283E62.6Low75.2Confident128 Ų12881.3 Ų81.360%0.59844%0.442SS*.Hα-helixtrans-69.6-46.4170.7-177.8155.8-132.100112.6A279 E281 M285 T286A279-E283 WeakPolarHBondContact O-CB 3.39Å; A279-E283 PolarHBondContact O-N 2.87Å; E281-E283 PolarHBondContact O-N 3.09Å; E283-M285 PolarHBondContact O-N 3.39Å; E283-M285 VanDerWaalsContact O-N 3.11Å; E283-T286 WeakPolarHBondContact O-CA 3.31Å; E283-T286 WeakPolarHBondContact O-CB 3.45Å; E283-T286 PolarHBondContact O-N 3.26Å; E283-T286 PolarHBondContact O-OG1 3.32Å
284K67.7Low75.6Confident187 Ų18778.8 Ų78.881%0.81344%0.435SS*.Hα-helixtrans-56.6-26.7170.9-72.6172.8-178.4-1770112.9A280 E281A280-K284 WeakPolarHBondContact O-CG 3.43Å; A280-K284 PolarHBondContact O-N 3.32Å; E281-K284 PolarHBondContact O-N 2.99Å
285M68.2Low76Confident79 Ų7981 Ų8139%0.38945%0.454SS..THydrogen-bonded Turntrans-90.514.2172.6-66-168.2175.500114.8R273 K277 E281 L282 E283R273-M285 HydrophobicContact CG-SD 4.37Å; K277-M285 HydrophobicContact CD-CE 4.45Å; E281-M285 WeakPolarHBondContact O-CG 3.1Å; E281-M285 PolarHBondContact O-N 3.48Å; L282-M285 CarbonylContact O-C 3.59Å; L282-M285 PolarHBondContact O-N 3.45Å; E283-M285 PolarHBondContact O-N 3.39Å; E283-M285 VanDerWaalsContact O-N 3.11Å
286T80.8Confident76.3Confident20 Ų2082.5 Ų82.512%0.12346%0.458CS..PPolyproline II helixtrans-98.5118.6178.4-59.80000110.5L282 E283 P295 R297L282-T286 PolarHBondContact O-N 3.2Å; L282-T286 PolarHBondContact O-OG1 3.29Å; E283-T286 WeakPolarHBondContact O-CA 3.31Å; E283-T286 WeakPolarHBondContact O-CB 3.45Å; E283-T286 PolarHBondContact O-N 3.26Å; E283-T286 PolarHBondContact O-OG1 3.32Å; T286-P295 HydrophobicContact CG2-CB 3.61Å; T286-R297 WeakPolarHBondContact OG1-CD 3.43Å; T286-R297 PolarHBondContact OG1-NE 3.25Å
287L82.8Confident76.8Confident74 Ų7486.1 Ų86.139%0.38745%0.454SS..EExtended strand (participates in β ladder)trans-86.4121.3-176.7-56.5174.5000109.9Y296 K299 L302L287-Y296 PolarHBondContact N-O 2.96Å; L287-Y296 WeakPolarHBondContact O-CA 3.42Å; L287-Y296 WeakPolarHBondContact O-CB 3.31Å; L287-Y296 PolarHBondContact O-N 3.46Å; L287-K299 HydrophobicContact CD1-CB 3.85Å; L287-K299 HydrophobicContact CD1-CG 4.4Å; L287-L302 HydrophobicContact CB-CD2 3.76Å; L287-L302 HydrophobicContact CD1-CD2 4.33Å
288K88.8Confident77.1Confident158 Ų15884.7 Ų84.769%0.68745%0.452SS*.EExtended strand (participates in β ladder)trans-80.4146.4175.4-62-176.7-176.7-178.30110.8K294K288-K294 CarbonylContact C-O 3.44Å; K288-K294 WeakPolarHBondContact CA-O 3.48Å
289C89.9Confident77.9Confident5 Ų590.6 Ų90.63%0.03447%0.465CS..PPolyproline II helixtrans-72.9135.1167.7-176.70000110.6H291 G293 K294 Y296 L302 H305C289-H291 PolarHBondContact SG-N 2.91Å; C289-G293 WeakPolarHBondContact O-CA 3.42Å; C289-G293 PolarHBondContact O-N 3.34Å; C289-K294 PolarHBondContact N-O 3.03Å; C289-Y296 HydrophobicContact CB-CE2 4.14Å; C289-L302 HydrophobicContact CB-CD1 3.83Å; C289-H305 VanDerWaalsContact CB-NE2 3.3Å; C289-H305 WeakPolarHBondContact CB-NE2 3.4Å; C289-H305 PolarHBondContact SG-NE2 2.86Å
290H86.7Confident78.9Confident180 Ų18090.1 Ų90.183%0.83346%0.461SS*.THydrogen-bonded Turntrans-69.1-34.8177.8-170.855.5000112.7
291H82.7Confident80.1Confident125 Ų12588.2 Ų88.258%0.57945%0.448SS*.THydrogen-bonded Turntrans-84-15.9-175.6-56.7-72.4000115C289 H310C289-H291 PolarHBondContact SG-N 2.91Å; H291-H310 AromaticContact CD2-CG 3.97Å
292C87.5Confident80.9Confident53 Ų5385.2 Ų85.236%0.35844%0.435SS..THydrogen-bonded Turntrans-151.713.2-17968.40000115.4K294 H305 H310C292-K294 PolarHBondContact O-N 2.96Å; C292-H305 PolarHBondContact SG-CE1 3.08Å; C292-H305 PolarHBondContact SG-NE2 2.86Å; C292-H310 PolarHBondContact SG-NE2 3.11Å
293G83.1Confident81.9Confident42 Ų4284.5 Ų84.543%0.43344%0.436SS..  trans68.8-17.4176.500000116.8C289C289-G293 WeakPolarHBondContact O-CA 3.42Å; C289-G293 PolarHBondContact O-N 3.34Å
294K87.8Confident83.1Confident99 Ų9986 Ų8643%0.4344%0.437SS..  trans-50.1129.5-171.7-72.8178.5-173.5173.50112.2K288 C289 C292 Y296K288-K294 CarbonylContact C-O 3.44Å; K288-K294 WeakPolarHBondContact CA-O 3.48Å; C289-K294 PolarHBondContact N-O 3.03Å; C292-K294 PolarHBondContact O-N 2.96Å; K294-Y296 HydrophobicContact CB-CE2 3.56Å; K294-Y296 WeakPolarHBondContact CB-OH 3.49Å; K294-Y296 WeakPolarHBondContact O-CD2 3.09Å; K294-Y296 WeakPolarHBondContact O-CE2 3.31Å
295P86.4Confident84.1Confident88 Ų8877.3 Ų77.357%0.57140%0.399SS*.EExtended strand (participates in β ladder)trans-86124-174.431.2-34000113.3T286T286-P295 HydrophobicContact CG2-CB 3.61Å
296Y85.1Confident85.1Confident50 Ų5076.4 Ų76.420%0.19640%0.395CS..EExtended strand (participates in β ladder)trans-116.1122.5-178.7-67.1-81000113.2L287 C289 K294 S298 L302 H305L287-Y296 PolarHBondContact N-O 2.96Å; L287-Y296 WeakPolarHBondContact O-CA 3.42Å; L287-Y296 WeakPolarHBondContact O-CB 3.31Å; L287-Y296 PolarHBondContact O-N 3.46Å; C289-Y296 HydrophobicContact CB-CE2 4.14Å; K294-Y296 HydrophobicContact CB-CE2 3.56Å; K294-Y296 WeakPolarHBondContact CB-OH 3.49Å; K294-Y296 WeakPolarHBondContact O-CD2 3.09Å; K294-Y296 WeakPolarHBondContact O-CE2 3.31Å; Y296-S298 PolarHBondContact O-N 3.36Å; Y296-L302 HydrophobicContact CD2-CB 4.21Å; Y296-L302 HydrophobicContact CD2-CD1 3.8Å; Y296-L302 HydrophobicContact CE2-CD1 4.33Å; Y296-L302 HydrophobicContact CG-CB 4.08Å; Y296-H305 HydrophobicContact CD1-CB 4.5Å; Y296-H305 HydrophobicContact CE1-CB 3.76Å; Y296-H305 HydrophobicContact CE2-CB 4.08Å; Y296-H305 AromaticContact CE2-CD2 3.15Å; Y296-H305 WeakPolarHBondContact CE2-CD2 3.32Å; Y296-H305 AromaticContact CE2-CG 3.64Å; Y296-H305 AromaticContact CE2-NE2 3.78Å; Y296-H305 AromaticContact CZ-CD2 3.39Å; Y296-H305 AromaticContact CZ-CG 3.34Å; Y296-H305 AromaticContact CZ-ND1 3.97Å; Y296-H305 PolarHBondContact OH-CD2 2.86Å; Y296-H305 PolarHBondContact OH-ND1 3.23Å
297R78.7Confident85.3Confident129 Ų12983.3 Ų83.349%0.48742%0.419SS..SBendtrans-69.62.4179.3-64.9-82.9151.489.6-5.4113.6K274 T286K274-R297 PolarHBondContact NZ-O 3.43Å; T286-R297 WeakPolarHBondContact OG1-CD 3.43Å; T286-R297 PolarHBondContact OG1-NE 3.25Å
298S79.9Confident85.4Confident35 Ų3582.5 Ų82.525%0.24542%0.42CS..SBendtrans-158.5153.117272.20000113.5Y296 A300 G301 L302Y296-S298 PolarHBondContact O-N 3.36Å; S298-A300 PolarHBondContact O-N 3.18Å; S298-G301 PolarHBondContact O-N 3.01Å; S298-G301 VanDerWaalsContact O-N 3.14Å; S298-G301 PolarHBondContact OG-N 3.22Å; S298-L302 PolarHBondContact O-N 3.36Å
299K82.9Confident85Confident169 Ų16980.4 Ų80.474%0.73541%0.413SS*.Hα-helixtrans-59.5-32.7173.8-170.8170.5-177.4172.40112.6L287 A303L287-K299 HydrophobicContact CD1-CB 3.85Å; L287-K299 HydrophobicContact CD1-CG 4.4Å; K299-A303 WeakPolarHBondContact O-CB 3.5Å; K299-A303 PolarHBondContact O-N 3.46Å
300A82.5Confident84.6Confident74 Ų7483.1 Ų83.161%0.61243%0.425SS*.Hα-helixtrans-69.6-39.1175.400000112.6S298 Y304S298-A300 PolarHBondContact O-N 3.18Å; A300-Y304 PolarHBondContact O-N 3.18Å
301G84.6Confident84Confident25 Ų2575.7 Ų75.726%0.25840%0.397SS..Hα-helixtrans-67.1-47.3175.100000112.4S298 A303 Y304 H305S298-G301 PolarHBondContact O-N 3.01Å; S298-G301 VanDerWaalsContact O-N 3.14Å; S298-G301 PolarHBondContact OG-N 3.22Å; G301-A303 VanDerWaalsContact C-N 3.34Å; G301-A303 PolarHBondContact O-N 3.42Å; G301-Y304 WeakPolarHBondContact O-CB 3.45Å; G301-Y304 PolarHBondContact O-N 2.97Å; G301-Y304 VanDerWaalsContact O-N 3.14Å; G301-H305 PolarHBondContact O-N 3.36Å
302L86.4Confident83.1Confident24 Ų2476 Ų7613%0.12641%0.409CS..Hα-helixtrans-57.1-47.5172.6174.755.9000111L287 C289 Y296 S298 Y304 H305 L306L287-L302 HydrophobicContact CB-CD2 3.76Å; L287-L302 HydrophobicContact CD1-CD2 4.33Å; C289-L302 HydrophobicContact CB-CD1 3.83Å; Y296-L302 HydrophobicContact CD2-CB 4.21Å; Y296-L302 HydrophobicContact CD2-CD1 3.8Å; Y296-L302 HydrophobicContact CE2-CD1 4.33Å; Y296-L302 HydrophobicContact CG-CB 4.08Å; S298-L302 PolarHBondContact O-N 3.36Å; L302-Y304 VanDerWaalsContact C-N 3.26Å; L302-Y304 PolarHBondContact O-N 3.3Å; L302-H305 PolarHBondContact O-N 3.43Å; L302-L306 HydrophobicContact CD1-CD1 3.9Å; L302-L306 HydrophobicContact CD1-CG 3.91Å; L302-L306 HydrophobicContact CG-CD1 3.86Å; L302-L306 HydrophobicContact CG-CG 4.35Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.11Å
303A84.4Confident81Confident31 Ų3180.2 Ų80.226%0.25643%0.427SS..Hα-helixtrans-67.1-23.8178.700000113.7K299 G301 R307K299-A303 WeakPolarHBondContact O-CB 3.5Å; K299-A303 PolarHBondContact O-N 3.46Å; G301-A303 VanDerWaalsContact C-N 3.34Å; G301-A303 PolarHBondContact O-N 3.42Å; A303-R307 WeakPolarHBondContact O-CG 3.5Å; A303-R307 PolarHBondContact O-NE 3.44Å; A303-R307 PolarHBondContact O-NH1 2.66Å; A303-R307 PolarHBondContact O-NH2 3.44Å
304Y87.7Confident79.1Confident159 Ų15983.9 Ų83.962%0.62445%0.446SS*.Hα-helixtrans-71.8-50.8170.3175-91.5000110.8A300 G301 L302 L306 R307 S308A300-Y304 PolarHBondContact O-N 3.18Å; G301-Y304 WeakPolarHBondContact O-CB 3.45Å; G301-Y304 PolarHBondContact O-N 2.97Å; G301-Y304 VanDerWaalsContact O-N 3.14Å; L302-Y304 VanDerWaalsContact C-N 3.26Å; L302-Y304 PolarHBondContact O-N 3.3Å; Y304-L306 VanDerWaalsContact C-N 3.34Å; Y304-L306 PolarHBondContact O-N 3.49Å; Y304-R307 CarbonylContact O-C 3.6Å; Y304-R307 WeakPolarHBondContact O-CA 3.44Å; Y304-R307 WeakPolarHBondContact O-CB 3.46Å; Y304-R307 PolarHBondContact O-N 3.01Å; Y304-S308 PolarHBondContact O-N 2.97Å
305H88.1Confident76.6Confident5 Ų587.5 Ų87.52%0.02346%0.462CS..Hα-helixtrans-57.5-43176.7158.959.3000112.7C289 C292 Y296 G301 L302 R307 S308 E309 H310C289-H305 VanDerWaalsContact CB-NE2 3.3Å; C289-H305 WeakPolarHBondContact CB-NE2 3.4Å; C289-H305 PolarHBondContact SG-NE2 2.86Å; C292-H305 PolarHBondContact SG-CE1 3.08Å; C292-H305 PolarHBondContact SG-NE2 2.86Å; Y296-H305 HydrophobicContact CD1-CB 4.5Å; Y296-H305 HydrophobicContact CE1-CB 3.76Å; Y296-H305 HydrophobicContact CE2-CB 4.08Å; Y296-H305 AromaticContact CE2-CD2 3.15Å; Y296-H305 WeakPolarHBondContact CE2-CD2 3.32Å; Y296-H305 AromaticContact CE2-CG 3.64Å; Y296-H305 AromaticContact CE2-NE2 3.78Å; Y296-H305 AromaticContact CZ-CD2 3.39Å; Y296-H305 AromaticContact CZ-CG 3.34Å; Y296-H305 AromaticContact CZ-ND1 3.97Å; Y296-H305 PolarHBondContact OH-CD2 2.86Å; Y296-H305 PolarHBondContact OH-ND1 3.23Å; G301-H305 PolarHBondContact O-N 3.36Å; L302-H305 PolarHBondContact O-N 3.43Å; H305-R307 PolarHBondContact O-N 3.03Å; H305-R307 VanDerWaalsContact O-N 3.11Å; H305-S308 PolarHBondContact O-N 3.26Å; H305-S308 VanDerWaalsContact O-N 3.11Å; H305-S308 PolarHBondContact O-OG 3.45Å; H305-E309 VanDerWaalsContact CE1-CG 3.45Å; H305-E309 WeakPolarHBondContact CE1-CG 3.4Å; H305-E309 WeakPolarHBondContact ND1-CG 3.45Å; H305-E309 PolarHBondContact O-N 3.29Å; H305-H310 AromaticContact CE1-CD2 3.49Å; H305-H310 PolarHBondContact CE1-CD2 2.97Å; H305-H310 VanDerWaalsContact CE1-CD2 3.49Å; H305-H310 AromaticContact CE1-NE2 3.3Å; H305-H310 PolarHBondContact CE1-NE2 2.83Å; H305-H310 VanDerWaalsContact CE1-NE2 3.3Å; H305-H310 AromaticContact NE2-CD2 3.47Å; H305-H310 PolarHBondContact NE2-CD2 3.29Å; H305-H310 AromaticContact NE2-NE2 3.43Å; H305-H310 PolarHBondContact NE2-NE2 3.43Å
306L89.3Confident74Confident59 Ų5993.2 Ų93.231%0.30948%0.478SS..Hα-helixtrans-62.2-14.4173.2-72.7171000113.8L302 Y304 H310 G311L302-L306 HydrophobicContact CD1-CD1 3.9Å; L302-L306 HydrophobicContact CD1-CG 3.91Å; L302-L306 HydrophobicContact CG-CD1 3.86Å; L302-L306 HydrophobicContact CG-CG 4.35Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.11Å; Y304-L306 VanDerWaalsContact C-N 3.34Å; Y304-L306 PolarHBondContact O-N 3.49Å; L306-H310 HydrophobicContact CD2-CB 4.34Å; L306-H310 CarbonylContact O-C 3.09Å; L306-G311 PolarHBondContact O-N 3.46Å; L306-G311 VanDerWaalsContact O-N 3.14Å
307R85.5Confident71.9Confident166 Ų16696.1 Ų96.163%0.62650%0.504SS*.Hα-helixtrans-103.7-15.3173.6-70.1-175.3-59.7-95.8-5.9114A303 Y304 H305A303-R307 WeakPolarHBondContact O-CG 3.5Å; A303-R307 PolarHBondContact O-NE 3.44Å; A303-R307 PolarHBondContact O-NH1 2.66Å; A303-R307 PolarHBondContact O-NH2 3.44Å; Y304-R307 CarbonylContact O-C 3.6Å; Y304-R307 WeakPolarHBondContact O-CA 3.44Å; Y304-R307 WeakPolarHBondContact O-CB 3.46Å; Y304-R307 PolarHBondContact O-N 3.01Å; H305-R307 PolarHBondContact O-N 3.03Å; H305-R307 VanDerWaalsContact O-N 3.11Å
308S84.5Confident69.9Low57 Ų5799.3 Ų99.340%0.39952%0.524SS..Hα-helixtrans-96.5-45.9178.166.70000112.4Y304 H305Y304-S308 PolarHBondContact O-N 2.97Å; H305-S308 PolarHBondContact O-N 3.26Å; H305-S308 VanDerWaalsContact O-N 3.11Å; H305-S308 PolarHBondContact O-OG 3.45Å
309E81.3Confident67.8Low114 Ų114103.3 Ų103.353%0.53355%0.552SS.*THydrogen-bonded Turntrans-99.5-27.2-176.9-37-60.5114.300112.7H305H305-E309 VanDerWaalsContact CE1-CG 3.45Å; H305-E309 WeakPolarHBondContact CE1-CG 3.4Å; H305-E309 WeakPolarHBondContact ND1-CG 3.45Å; H305-E309 PolarHBondContact O-N 3.29Å
310H81.4Confident65.5Low62 Ų6299 Ų9929%0.28756%0.555SS.*SBendtrans-124.817.8-175.8-52.1-56.9000112.2H291 C292 H305 L306H291-H310 AromaticContact CD2-CG 3.97Å; C292-H310 PolarHBondContact SG-NE2 3.11Å; H305-H310 AromaticContact CE1-CD2 3.49Å; H305-H310 PolarHBondContact CE1-CD2 2.97Å; H305-H310 VanDerWaalsContact CE1-CD2 3.49Å; H305-H310 AromaticContact CE1-NE2 3.3Å; H305-H310 PolarHBondContact CE1-NE2 2.83Å; H305-H310 VanDerWaalsContact CE1-NE2 3.3Å; H305-H310 AromaticContact NE2-CD2 3.47Å; H305-H310 PolarHBondContact NE2-CD2 3.29Å; H305-H310 AromaticContact NE2-NE2 3.43Å; H305-H310 PolarHBondContact NE2-NE2 3.43Å; L306-H310 HydrophobicContact CD2-CB 4.34Å; L306-H310 CarbonylContact O-C 3.09Å
311G74.1Confident63.1Low24 Ų24102.8 Ų102.825%0.24756%0.56CS.*SBendtrans-65.6138.5167.900000109.2L306 I313L306-G311 PolarHBondContact O-N 3.46Å; L306-G311 VanDerWaalsContact O-N 3.14Å; G311-I313 PolarHBondContact O-N 3.01Å
312P63.2Low60.7Low130 Ų130107.6 Ų107.684%0.84459%0.587SS**  trans-62.1113.4-179.724.9-33.3000109.8S314P312-S314 PolarHBondContact O-N 3.34Å
313I44.5Very low58.5Low142 Ų142113.6 Ų113.673%0.72862%0.615SS**  trans-69.1114.4173.8-52.1177.1000106.6G311 F315G311-I313 PolarHBondContact O-N 3.01Å; I313-F315 HydrophobicContact CG2-CD2 3.65Å; I313-F315 HydrophobicContact CG2-CE2 3.85Å; I313-F315 PolarHBondContact O-N 3.38Å
314S42Very low56.1Low120 Ų120117.8 Ų117.884%0.83964%0.641SS**  trans-78.866.6-171.9600000112.6P312P312-S314 PolarHBondContact O-N 3.34Å
315F36.8Very low53.7Low175 Ų175118.2 Ų118.277%0.76865%0.653SS**  trans-97102.4158.2-76.9-79.1000108.9I313I313-F315 HydrophobicContact CG2-CD2 3.65Å; I313-F315 HydrophobicContact CG2-CE2 3.85Å; I313-F315 PolarHBondContact O-N 3.38Å
316F31.1Very low51.1Low207 Ų207126.5 Ų126.591%0.90869%0.689SS**  trans-170.7141.5140.5-90.8-59.1000108.3
317P41.3Very low48.9Very low112 Ų112132.7 Ų132.773%0.72772%0.716SS**  trans-86.5149.6-17634.4-33.7000113.3
318E35.8Very low46.5Very low195 Ų195132.1 Ų132.191%0.91172%0.722SS**  trans2997.1143.9-164.5169.8-176.200119.7
319S36.7Very low44.5Very low120 Ų120136.7 Ų136.784%0.83974%0.742SS**  -165142.212946.10000111.1
320G33.6Very low42.6Very low77 Ų77137.6 Ų137.679%0.79475%0.75SS**  trans84.279.8169.400000117.4
321Q31.9Very low40.5Very low154 Ų154141 Ų14172%0.7277%0.766SS**  trans-68.7153.1157.7-78.8-72.2-63.200110.8
322P35.6Very low39.2Very low126 Ų126145.9 Ų145.982%0.81880%0.796SS**  -109.2132.6106.1-1632.2000112.7C324P322-C324 PolarHBondContact O-N 3.24Å
323E40.2Very low38.2Very low151 Ų151147.6 Ų147.671%0.70679%0.791SS**  trans-66.7132.3179.5-68.3-160.5148.200112.1
324C32.9Very low38.5Very low119 Ų119146.8 Ų146.880%0.80480%0.797SS**  -172.387.9125.8-172.10000111.5P322P322-C324 PolarHBondContact O-N 3.24Å
325L36.9Very low38.7Very low167 Ų167144.4 Ų144.487%0.87479%0.792SS**  trans-170.365.1146.8-111.2169.1000110.2
326K34.9Very low39.6Very low180 Ų180140.5 Ų140.578%0.78380%0.801SS**  trans-64.6140.3174.6-157.7161-166.61550109.8
327E41.9Very low40.9Very low188 Ų188141.9 Ų141.988%0.87980%0.8SS**  trans-64.7136-166.4-58.6166.2108.300112.5
328M34.9Very low42.4Very low155 Ų155143.3 Ų143.376%0.76481%0.806SS**  trans-116100.415664.8174.3-176.600110.4L330M328-L330 HydrophobicContact CB-CG 4.33Å; M328-L330 HydrophobicContact CE-CD1 4.05Å; M328-L330 HydrophobicContact CG-CD1 4.31Å; M328-L330 HydrophobicContact CG-CG 4.29Å; M328-L330 PolarHBondContact O-N 2.9Å; M328-L330 HydrophobicContact SD-CD1 3.6Å; M328-L330 VanDerWaalsContact SD-CD1 3.6Å; M328-L330 HydrophobicContact SD-CG 4.14Å
329N42.8Very low44.2Very low153 Ų153138.4 Ų138.482%0.81878%0.783SS**  trans-71.182164.5-177.1-7.2000108.8
330L41.5Very low46.5Very low132 Ų132142.4 Ų142.469%0.69178%0.78SS**  trans-90.3103.6169.5-71.5-179.8000109.4M328M328-L330 HydrophobicContact CB-CG 4.33Å; M328-L330 HydrophobicContact CE-CD1 4.05Å; M328-L330 HydrophobicContact CG-CD1 4.31Å; M328-L330 HydrophobicContact CG-CG 4.29Å; M328-L330 PolarHBondContact O-N 2.9Å; M328-L330 HydrophobicContact SD-CD1 3.6Å; M328-L330 VanDerWaalsContact SD-CD1 3.6Å; M328-L330 HydrophobicContact SD-CG 4.14Å
331E37.9Very low48.9Very low135 Ų135148.8 Ų148.863%0.63178%0.78SS**  trans4.1112172-60.5-171.511800116.7K333E331-K333 HydrophobicContact CB-CG 4.39Å; E331-K333 PolarHBondContact O-N 3.45Å; E331-K333 WeakPolarHBondContact OE2-CE 3.26Å; E331-K333 IonicContact OE2-NZ 2.62Å; E331-K333 PolarHBondContact OE2-NZ 3.21Å
332S45.6Very low51.4Low125 Ų125145.5 Ų145.587%0.87477%0.774SS**  trans-66.480.6163.2-70.20000110.9S334S332-S334 PolarHBondContact O-N 3.27Å
333K42.4Very low53.8Low167 Ų167141.4 Ų141.473%0.72675%0.751SS**  trans-62.2125.2175.8-82.8174.2174.9141.70110.5E331 G335E331-K333 HydrophobicContact CB-CG 4.39Å; E331-K333 PolarHBondContact O-N 3.45Å; E331-K333 WeakPolarHBondContact OE2-CE 3.26Å; E331-K333 IonicContact OE2-NZ 2.62Å; E331-K333 PolarHBondContact OE2-NZ 3.21Å; K333-G335 PolarHBondContact O-N 2.92Å
334S51.2Low56.1Low124 Ų124140.2 Ų140.287%0.86774%0.743SS**SBendtrans-46.6126.4-176.352.50000113.9S332S332-S334 PolarHBondContact O-N 3.27Å
335G47.3Very low58.7Low71 Ų71138.4 Ų138.473%0.73273%0.725SS**  trans158.187.817400000112.3K333 R337K333-G335 PolarHBondContact O-N 2.92Å; G335-R337 PolarHBondContact O-N 3.47Å
336G55.8Low60.9Low92 Ų92133.1 Ų133.195%0.94871%0.705SS**  trans-60.894.1-165.500000116.5
337R57.5Low63.4Low237 Ų237128.4 Ų128.489%0.89469%0.691SS**  trans-155129.2149.1-146171.6-163.8161.28111.9G335 Q339G335-R337 PolarHBondContact O-N 3.47Å; R337-Q339 PolarHBondContact O-N 2.98Å; R337-Q339 VanDerWaalsContact O-N 3.09Å
338V72.8Confident65.8Low141 Ų141126.1 Ų126.186%0.85568%0.676SS**  trans-64.3112.9175.4-179.50000109.8R340V338-R340 PolarHBondContact O-N 3.38Å
339Q74.6Confident68.3Low93 Ų93123.7 Ų123.744%0.43566%0.662SS.*  trans-68.6121.4179.8-169.4-177.524.300110.5R337 A343 K344R337-Q339 PolarHBondContact O-N 2.98Å; R337-Q339 VanDerWaalsContact O-N 3.09Å; Q339-A343 HydrophobicContact CG-CB 3.8Å; Q339-K344 HydrophobicContact CB-CG 4.29Å; Q339-K344 HydrophobicContact CG-CG 4.03Å
340R83.5Confident70.5Confident204 Ų204122.3 Ų122.377%0.7765%0.654SS**  trans-55.5142.8178.7-66.4179176172.3-2.2110.9V338 S342 A343 K344V338-R340 PolarHBondContact O-N 3.38Å; R340-S342 PolarHBondContact O-N 3.48Å; R340-S342 VanDerWaalsContact O-N 3.13Å; R340-A343 WeakPolarHBondContact O-CA 3.4Å; R340-A343 WeakPolarHBondContact O-CB 3.5Å; R340-A343 PolarHBondContact O-N 3.26Å; R340-K344 PolarHBondContact O-N 3.15Å; R340-K344 VanDerWaalsContact O-N 3.08Å
341R84.8Confident72.6Confident211 Ų211122 Ų12280%0.79665%0.649SS**Hα-helixtrans-52.6-38.4-179.3-168.7177.4-177.9176.32113A343 K344 I345R341-A343 VanDerWaalsContact C-N 3.35Å; R341-A343 PolarHBondContact O-N 3.24Å; R341-K344 PolarHBondContact O-N 3.32Å; R341-I345 HydrophobicContact CG-CD1 4.01Å; R341-I345 VanDerWaalsContact O-CG1 3.31Å; R341-I345 WeakPolarHBondContact O-CG1 3.46Å; R341-I345 PolarHBondContact O-N 3.04Å
342S85.1Confident75Confident85 Ų85119.8 Ų119.859%0.59464%0.639SS**Hα-helixtrans-65-32.7174.851.70000114R340 A346R340-S342 PolarHBondContact O-N 3.48Å; R340-S342 VanDerWaalsContact O-N 3.13Å; S342-A346 VanDerWaalsContact O-CB 3.3Å; S342-A346 WeakPolarHBondContact O-CB 3.45Å; S342-A346 PolarHBondContact O-N 2.93Å
343A84.3Confident76.7Confident39 Ų39119 Ų11932%0.32263%0.625SS.*Hα-helixtrans-76.1-34.7175.200000111.8Q339 R340 R341 A346 V347Q339-A343 HydrophobicContact CG-CB 3.8Å; R340-A343 WeakPolarHBondContact O-CA 3.4Å; R340-A343 WeakPolarHBondContact O-CB 3.5Å; R340-A343 PolarHBondContact O-N 3.26Å; R341-A343 VanDerWaalsContact C-N 3.35Å; R341-A343 PolarHBondContact O-N 3.24Å; A343-A346 PolarHBondContact O-N 2.95Å; A343-V347 WeakPolarHBondContact O-CG2 3.28Å; A343-V347 PolarHBondContact O-N 3.41Å
344K88.9Confident78.5Confident127 Ų127113 Ų11355%0.55261%0.606SS**Hα-helixtrans-61.1-46.6169-70.1-168.4174.7-164.10111.5Q339 R340 R341 V347 Y348Q339-K344 HydrophobicContact CB-CG 4.29Å; Q339-K344 HydrophobicContact CG-CG 4.03Å; R340-K344 PolarHBondContact O-N 3.15Å; R340-K344 VanDerWaalsContact O-N 3.08Å; R341-K344 PolarHBondContact O-N 3.32Å; K344-V347 PolarHBondContact O-N 3.08Å; K344-Y348 PolarHBondContact O-N 2.9Å
345I87.6Confident79.7Confident80 Ų80109.3 Ų109.341%0.4158%0.58SS.*Hα-helixtrans-63.6-40.9176.3-69.6164.5000111.5R341 Y348 H349R341-I345 HydrophobicContact CG-CD1 4.01Å; R341-I345 VanDerWaalsContact O-CG1 3.31Å; R341-I345 WeakPolarHBondContact O-CG1 3.46Å; R341-I345 PolarHBondContact O-N 3.04Å; I345-Y348 PolarHBondContact O-N 3.47Å; I345-H349 PolarHBondContact O-CD2 2.81Å; I345-H349 PolarHBondContact O-N 2.91Å
346A82.7Confident81.1Confident57 Ų57107.3 Ų107.347%0.47156%0.556SS.*Hα-helixtrans-63.9-41.7175.400000112.3S342 A343 H349 L350S342-A346 VanDerWaalsContact O-CB 3.3Å; S342-A346 WeakPolarHBondContact O-CB 3.45Å; S342-A346 PolarHBondContact O-N 2.93Å; A343-A346 PolarHBondContact O-N 2.95Å; A346-H349 PolarHBondContact O-N 3.13Å; A346-L350 VanDerWaalsContact O-CB 3.29Å; A346-L350 WeakPolarHBondContact O-CB 3.14Å; A346-L350 PolarHBondContact O-N 3.48Å
347V89.2Confident82Confident81 Ų81108.7 Ų108.749%0.49154%0.538SS..Hα-helixtrans-63.7-42.3174168.40000111.1A343 K344 L350 Q351A343-V347 WeakPolarHBondContact O-CG2 3.28Å; A343-V347 PolarHBondContact O-N 3.41Å; K344-V347 PolarHBondContact O-N 3.08Å; V347-L350 PolarHBondContact O-N 3.15Å; V347-Q351 WeakPolarHBondContact O-CB 3.48Å; V347-Q351 PolarHBondContact O-N 2.91Å
348Y90.9Very high82.1Confident139 Ų139102.5 Ų102.555%0.54552%0.522SS..Hα-helixtrans-57.8-51.7174.3178.8-90.3000111.8K344 I345 L350 Q351 E352K344-Y348 PolarHBondContact O-N 2.9Å; I345-Y348 PolarHBondContact O-N 3.47Å; Y348-L350 VanDerWaalsContact C-N 3.3Å; Y348-L350 PolarHBondContact O-N 2.85Å; Y348-Q351 WeakPolarHBondContact O-CB 3.47Å; Y348-Q351 PolarHBondContact O-N 3.23Å; Y348-E352 HydrophobicContact CD1-CG 4.13Å; Y348-E352 HydrophobicContact CE1-CG 3.61Å; Y348-E352 HydrophobicContact CE2-CG 4.34Å; Y348-E352 WeakPolarHBondContact O-CB 3.3Å; Y348-E352 WeakPolarHBondContact O-CG 3.42Å; Y348-E352 PolarHBondContact O-N 3.19Å
349H89Confident81.8Confident105 Ų10599 Ų9949%0.48651%0.509SS..Hα-helixtrans-66.1-30.2178.2-69-53.5000113.5I345 A346 L353I345-H349 PolarHBondContact O-CD2 2.81Å; I345-H349 PolarHBondContact O-N 2.91Å; A346-H349 PolarHBondContact O-N 3.13Å; H349-L353 WeakPolarHBondContact O-CB 3.22Å; H349-L353 VanDerWaalsContact O-CG 3.27Å; H349-L353 WeakPolarHBondContact O-CG 3.47Å; H349-L353 PolarHBondContact O-N 3.29Å
350L87Confident81.4Confident124 Ų124102.1 Ų102.165%0.64952%0.521SS*.Hα-helixtrans-72-36.8174.9-160.471000111.4A346 V347 Y348 A354A346-L350 VanDerWaalsContact O-CB 3.29Å; A346-L350 WeakPolarHBondContact O-CB 3.14Å; A346-L350 PolarHBondContact O-N 3.48Å; V347-L350 PolarHBondContact O-N 3.15Å; Y348-L350 VanDerWaalsContact C-N 3.3Å; Y348-L350 PolarHBondContact O-N 2.85Å; L350-A354 WeakPolarHBondContact O-CB 3.45Å; L350-A354 PolarHBondContact O-N 3.16Å
351Q87.4Confident79.7Confident124 Ų12495.4 Ų95.458%0.57950%0.498SS*.Hα-helixtrans-67.1-38.1172.6-173.361.652.200111.7V347 Y348 A354 S355V347-Q351 WeakPolarHBondContact O-CB 3.48Å; V347-Q351 PolarHBondContact O-N 2.91Å; Y348-Q351 WeakPolarHBondContact O-CB 3.47Å; Y348-Q351 PolarHBondContact O-N 3.23Å; Q351-A354 PolarHBondContact O-N 3.11Å; Q351-S355 WeakPolarHBondContact O-CB 3.5Å; Q351-S355 PolarHBondContact O-N 3.31Å; Q351-S355 PolarHBondContact O-OG 3.45Å
352E86.8Confident77.8Confident89 Ų8995.5 Ų95.542%0.41650%0.499SS..Hα-helixtrans-71.4-34.2175.1-77-74.182.500113.4Y348 S355 A356Y348-E352 HydrophobicContact CD1-CG 4.13Å; Y348-E352 HydrophobicContact CE1-CG 3.61Å; Y348-E352 HydrophobicContact CE2-CG 4.34Å; Y348-E352 WeakPolarHBondContact O-CB 3.3Å; Y348-E352 WeakPolarHBondContact O-CG 3.42Å; Y348-E352 PolarHBondContact O-N 3.19Å; E352-S355 WeakPolarHBondContact CA-OG 3.49Å; E352-S355 PolarHBondContact O-OG 3.36Å; E352-S355 VanDerWaalsContact O-OG 3.04Å; E352-S355 PolarHBondContact OE1-OG 3Å; E352-A356 WeakPolarHBondContact O-CB 3.47Å; E352-A356 PolarHBondContact O-N 3.39Å
353L82.6Confident76.4Confident110 Ų11096.6 Ų96.658%0.57650%0.503SS*.Hα-helixtrans-68.3-41.7170.2-73.2168.7000110.5H349 A356 E357H349-L353 WeakPolarHBondContact O-CB 3.22Å; H349-L353 VanDerWaalsContact O-CG 3.27Å; H349-L353 WeakPolarHBondContact O-CG 3.47Å; H349-L353 PolarHBondContact O-N 3.29Å; L353-A356 PolarHBondContact O-N 3.06Å; L353-E357 WeakPolarHBondContact O-CB 3.4Å; L353-E357 WeakPolarHBondContact O-CG 3.41Å; L353-E357 PolarHBondContact O-N 2.89Å
354A79.1Confident74.7Confident41 Ų41103.9 Ų103.934%0.33953%0.528SS..Hα-helixtrans-63.9-43.4175.100000112.5L350 Q351 L358L350-A354 WeakPolarHBondContact O-CB 3.45Å; L350-A354 PolarHBondContact O-N 3.16Å; Q351-A354 PolarHBondContact O-N 3.11Å; A354-L358 VanDerWaalsContact O-CB 3.32Å; A354-L358 WeakPolarHBondContact O-CB 3.46Å; A354-L358 WeakPolarHBondContact O-CD1 3.5Å; A354-L358 WeakPolarHBondContact O-CG 3.34Å; A354-L358 PolarHBondContact O-N 3.45Å
355S76.4Confident72.6Confident45 Ų45104.9 Ų104.932%0.31553%0.528SS..Hα-helixtrans-65.9-41.4176.369.40000111.5Q351 E352 L358 A359Q351-S355 WeakPolarHBondContact O-CB 3.5Å; Q351-S355 PolarHBondContact O-N 3.31Å; Q351-S355 PolarHBondContact O-OG 3.45Å; E352-S355 WeakPolarHBondContact CA-OG 3.49Å; E352-S355 PolarHBondContact O-OG 3.36Å; E352-S355 VanDerWaalsContact O-OG 3.04Å; E352-S355 PolarHBondContact OE1-OG 3Å; S355-L358 PolarHBondContact O-N 2.84Å; S355-A359 VanDerWaalsContact O-CB 3.3Å; S355-A359 WeakPolarHBondContact O-CB 3.32Å; S355-A359 PolarHBondContact O-N 3.33Å
356A77.6Confident70.7Confident29 Ų29110.8 Ų110.824%0.2455%0.551CS.*Hα-helixtrans-72.1-33.6178.500000113.4E352 L353 K360E352-A356 WeakPolarHBondContact O-CB 3.47Å; E352-A356 PolarHBondContact O-N 3.39Å; L353-A356 PolarHBondContact O-N 3.06Å; A356-K360 VanDerWaalsContact O-CB 3.27Å; A356-K360 WeakPolarHBondContact O-CB 3.09Å; A356-K360 VanDerWaalsContact O-CD 3.25Å; A356-K360 WeakPolarHBondContact O-CD 3.48Å; A356-K360 WeakPolarHBondContact O-CG 3.48Å; A356-K360 PolarHBondContact O-N 3.18Å
357E74.1Confident68.7Low122 Ų122113 Ų11357%0.5756%0.558SS**Hα-helixtrans-68.7-47170.7-76.1-168.4162.100110.7L353 A359 K360 E361L353-E357 WeakPolarHBondContact O-CB 3.4Å; L353-E357 WeakPolarHBondContact O-CG 3.41Å; L353-E357 PolarHBondContact O-N 2.89Å; E357-A359 VanDerWaalsContact C-N 3.33Å; E357-A359 PolarHBondContact O-N 2.79Å; E357-K360 PolarHBondContact O-N 3.08Å; E357-E361 WeakPolarHBondContact O-CB 3.19Å; E357-E361 WeakPolarHBondContact O-CG 3.22Å; E357-E361 PolarHBondContact O-N 3.13Å
358L60.7Low66.7Low106 Ų106116.6 Ų116.656%0.55557%0.574SS**Hα-helixtrans-53.1-49.2172.9-75.8166.7000111.5A354 S355 E361 W362A354-L358 VanDerWaalsContact O-CB 3.32Å; A354-L358 WeakPolarHBondContact O-CB 3.46Å; A354-L358 WeakPolarHBondContact O-CD1 3.5Å; A354-L358 WeakPolarHBondContact O-CG 3.34Å; A354-L358 PolarHBondContact O-N 3.45Å; S355-L358 PolarHBondContact O-N 2.84Å; L358-E361 PolarHBondContact O-N 2.97Å; L358-W362 WeakPolarHBondContact O-CB 3.43Å; L358-W362 VanDerWaalsContact O-CD1 3.31Å; L358-W362 PolarHBondContact O-N 3.1Å
359A65.4Low64.3Low69 Ų69114.4 Ų114.457%0.5757%0.569SS**Hα-helixtrans-66.9-36.7-179.500000113.7S355 E357S355-A359 VanDerWaalsContact O-CB 3.3Å; S355-A359 WeakPolarHBondContact O-CB 3.32Å; S355-A359 PolarHBondContact O-N 3.33Å; E357-A359 VanDerWaalsContact C-N 3.33Å; E357-A359 PolarHBondContact O-N 2.79Å
360K66Low62.2Low158 Ų158115.6 Ų115.669%0.68758%0.578SS**Hα-helixtrans-76.6-28.3178.7-72.3165.4-168166.70112.9A356 E357A356-K360 VanDerWaalsContact O-CB 3.27Å; A356-K360 WeakPolarHBondContact O-CB 3.09Å; A356-K360 VanDerWaalsContact O-CD 3.25Å; A356-K360 WeakPolarHBondContact O-CD 3.48Å; A356-K360 WeakPolarHBondContact O-CG 3.48Å; A356-K360 PolarHBondContact O-N 3.18Å; E357-K360 PolarHBondContact O-N 3.08Å
361E48.3Very low60.6Low62 Ų62118.1 Ų118.129%0.2959%0.592SS.*Hα-helixtrans-95.3-22.3-178-67.3-165.1118.200113.9E357 L358 P363 K364 R365E357-E361 WeakPolarHBondContact O-CB 3.19Å; E357-E361 WeakPolarHBondContact O-CG 3.22Å; E357-E361 PolarHBondContact O-N 3.13Å; L358-E361 PolarHBondContact O-N 2.97Å; E361-P363 VanDerWaalsContact C-CD 3.45Å; E361-P363 VanDerWaalsContact C-N 3.27Å; E361-P363 VanDerWaalsContact O-N 3.14Å; E361-K364 PolarHBondContact O-N 2.74Å; E361-R365 HydrophobicContact CB-CB 4.42Å; E361-R365 HydrophobicContact CB-CG 4.04Å; E361-R365 PolarHBondContact O-N 3.21Å; E361-R365 IonicContact OE1-CZ 3.18Å; E361-R365 IonicContact OE1-NE 2.72Å; E361-R365 PolarHBondContact OE1-NE 2.79Å; E361-R365 IonicContact OE1-NH2 3.39Å; E361-R365 PolarHBondContact OE1-NH2 2.89Å; E361-R365 IonicContact OE2-CZ 2.59Å; E361-R365 IonicContact OE2-NE 2.68Å; E361-R365 PolarHBondContact OE2-NE 3.29Å; E361-R365 IonicContact OE2-NH1 2.69Å; E361-R365 PolarHBondContact OE2-NH1 2.64Å; E361-R365 IonicContact OE2-NH2 3.9Å; E361-R365 PolarHBondContact OE2-NH2 3.48Å
362W45.3Very low58.5Low214 Ų214115.8 Ų115.881%0.81159%0.586SS**THydrogen-bonded Turntrans-47.1-40.1176-115.575000114.6L358L358-W362 WeakPolarHBondContact O-CB 3.43Å; L358-W362 VanDerWaalsContact O-CD1 3.31Å; L358-W362 PolarHBondContact O-N 3.1Å
363P54.3Low56.8Low107 Ų107113.1 Ų113.170%0.69558%0.576SS**THydrogen-bonded Turntrans-80.3-8.8177.6-16.732.6000115.7E361E361-P363 VanDerWaalsContact C-CD 3.45Å; E361-P363 VanDerWaalsContact C-N 3.27Å; E361-P363 VanDerWaalsContact O-N 3.14Å
364K50.5Low55.4Low192 Ų192110.8 Ų110.884%0.83556%0.564SS**THydrogen-bonded Turntrans-138.3-20.3-168.2-73.6-173.3178.6175.90116.5E361 K366E361-K364 PolarHBondContact O-N 2.74Å; K364-K366 PolarHBondContact O-N 3.04Å
365R43.8Very low54.2Low149 Ų149113 Ų11356%0.56257%0.571SS**  trans-74.7110.1157.9-81.6-169.2-175.7174.414.5107.6E361 V367E361-R365 HydrophobicContact CB-CB 4.42Å; E361-R365 HydrophobicContact CB-CG 4.04Å; E361-R365 PolarHBondContact O-N 3.21Å; E361-R365 IonicContact OE1-CZ 3.18Å; E361-R365 IonicContact OE1-NE 2.72Å; E361-R365 PolarHBondContact OE1-NE 2.79Å; E361-R365 IonicContact OE1-NH2 3.39Å; E361-R365 PolarHBondContact OE1-NH2 2.89Å; E361-R365 IonicContact OE2-CZ 2.59Å; E361-R365 IonicContact OE2-NE 2.68Å; E361-R365 PolarHBondContact OE2-NE 3.29Å; E361-R365 IonicContact OE2-NH1 2.69Å; E361-R365 PolarHBondContact OE2-NH1 2.64Å; E361-R365 IonicContact OE2-NH2 3.9Å; E361-R365 PolarHBondContact OE2-NH2 3.48Å; R365-V367 PolarHBondContact O-N 3.24Å
366K47.8Very low53.2Low203 Ų203122.7 Ų122.788%0.88360%0.6SS**  trans-52.3103.9131.5-69.2-176.6179.8-176.40104.9K364 L368K364-K366 PolarHBondContact O-N 3.04Å; K366-L368 PolarHBondContact O-N 2.79Å
367V41.2Very low52.5Low104 Ų104124.5 Ų124.563%0.6360%0.603SS**  trans-48.7128.6168.1174.90000105.3R365 Q369R365-V367 PolarHBondContact O-N 3.24Å; V367-Q369 PolarHBondContact O-N 3Å
368L46.4Very low52.3Low157 Ų157119 Ų11982%0.82258%0.577SS**  trans-65.194.5163.3179.164.1000104K366K366-L368 PolarHBondContact O-N 2.79Å
369Q41.7Very low52.6Low92 Ų92115.7 Ų115.743%0.4356%0.558SS.*  trans-48.7148.5179.6-62.4175.3-77.200108V367 D374V367-Q369 PolarHBondContact O-N 3Å; Q369-D374 PolarHBondContact NE2-OD1 3.05Å; Q369-D374 PolarHBondContact NE2-OD2 3.32Å; Q369-D374 PolarHBondContact OE1-OD2 3.26Å
370D42.8Very low52.9Low130 Ų130112.4 Ų112.470%0.69553%0.531SS*.  trans-44.2156.1-165.3-65.9-83.4000114.2V372D370-V372 CarbonylContact C-O 3.58Å; D370-V372 CarbonylContact O-C 3.55Å; D370-V372 PolarHBondContact O-N 3.31Å
371L54.1Low53.3Low177 Ų177108.2 Ų108.293%0.92752%0.519SS*.SBendtrans-61.2-5173.6-63173.6000112.7
372V44.3Very low54.2Low76 Ų76109 Ų10946%0.46152%0.519SS..SBendtrans-92.9106.3153.4-1760000108.5D370D370-V372 CarbonylContact C-O 3.58Å; D370-V372 CarbonylContact O-C 3.55Å; D370-V372 PolarHBondContact O-N 3.31Å
373P50.7Low55Low32 Ų32100 Ų10021%0.20849%0.488CS..  trans-63.1148176.1-15.428.4000111.2D375 L378 F468P373-D375 PolarHBondContact O-N 3.22Å; P373-L378 HydrophobicContact CB-CD2 4.39Å; P373-F468 HydrophobicContact CB-CD2 3.61Å; P373-F468 HydrophobicContact CB-CE2 3.29Å; P373-F468 HydrophobicContact CB-CZ 4.16Å; P373-F468 HydrophobicContact CG-CD2 3.91Å; P373-F468 HydrophobicContact CG-CE2 3.92Å
374D53.2Low55Low61 Ų6198 Ų9833%0.32649%0.487SS..  trans-40.3134.2179.8-66-51.4000112.2Q369 R376 K377Q369-D374 PolarHBondContact NE2-OD1 3.05Å; Q369-D374 PolarHBondContact NE2-OD2 3.32Å; Q369-D374 PolarHBondContact OE1-OD2 3.26Å; D374-R376 HydrophobicContact CB-CB 4.44Å; D374-R376 PolarHBondContact O-N 3.42Å; D374-K377 HydrophobicContact CB-CD 4.08Å; D374-K377 HydrophobicContact CB-CG 4.22Å; D374-K377 WeakPolarHBondContact O-CA 3.39Å; D374-K377 WeakPolarHBondContact O-CB 3.45Å; D374-K377 PolarHBondContact O-N 2.78Å; D374-K377 WeakPolarHBondContact OD2-CE 3.48Å; D374-K377 IonicContact OD2-NZ 3.17Å; D374-K377 PolarHBondContact OD2-NZ 2.98Å
375D53.8Low55Low88 Ų8892.8 Ų92.847%0.47147%0.467SS..G310 helixtrans-55.3-27.8176.1-63.3-60.4000112.3P373 K377 L378 R382P373-D375 PolarHBondContact O-N 3.22Å; D375-K377 PolarHBondContact O-N 3.18Å; D375-L378 PolarHBondContact O-N 3.09Å; D375-L378 WeakPolarHBondContact OD1-CD1 3.21Å; D375-R382 VanDerWaalsContact OD1-CB 3.31Å; D375-R382 WeakPolarHBondContact OD1-CB 3.48Å
376R55.9Low55.7Low249 Ų24987.1 Ų87.194%0.9445%0.45SS*.G310 helixtrans-64.2-11.7172.4-66.2-174.3174.2-157.9-3115.3D374D374-R376 HydrophobicContact CB-CB 4.44Å; D374-R376 PolarHBondContact O-N 3.42Å
377K62.8Low56Low66 Ų6684.4 Ų84.429%0.28745%0.451SS..G310 helixtrans-111.8-1.5178.4-60.9167.8-178.1152.90112.1D374 D375 F468 V469D374-K377 HydrophobicContact CB-CD 4.08Å; D374-K377 HydrophobicContact CB-CG 4.22Å; D374-K377 WeakPolarHBondContact O-CA 3.39Å; D374-K377 WeakPolarHBondContact O-CB 3.45Å; D374-K377 PolarHBondContact O-N 2.78Å; D374-K377 WeakPolarHBondContact OD2-CE 3.48Å; D374-K377 IonicContact OD2-NZ 3.17Å; D374-K377 PolarHBondContact OD2-NZ 2.98Å; D375-K377 PolarHBondContact O-N 3.18Å; K377-F468 HydrophobicContact CB-CD2 3.87Å; K377-F468 HydrophobicContact CB-CE2 3.49Å; K377-F468 VanDerWaalsContact CB-CE2 3.49Å; K377-F468 HydrophobicContact CB-CZ 4.5Å; K377-F468 HydrophobicContact CD-CE2 3.81Å; K377-F468 HydrophobicContact CD-CZ 4.26Å; K377-F468 HydrophobicContact CG-CE2 4.25Å; K377-F468 WeakPolarHBondContact O-CA 3.25Å; K377-V469 PolarHBondContact O-N 3.02Å
378L68.5Low57.1Low7 Ų780.5 Ų80.54%0.03743%0.425CS..BIsolated β-bridgetrans-91143.8177.1-53.6-176.8000109.7P373 D375 Y380 W467 F468P373-L378 HydrophobicContact CB-CD2 4.39Å; D375-L378 PolarHBondContact O-N 3.09Å; D375-L378 WeakPolarHBondContact OD1-CD1 3.21Å; L378-Y380 HydrophobicContact CB-CD1 4.4Å; L378-Y380 HydrophobicContact CB-CE1 4.32Å; L378-Y380 HydrophobicContact CD1-CE1 4.43Å; L378-Y380 HydrophobicContact CD1-CE2 4.04Å; L378-Y380 PolarHBondContact O-N 3.02Å; L378-W467 WeakPolarHBondContact CA-O 3.35Å; L378-W467 HydrophobicContact CD2-CE3 3.8Å; L378-W467 HydrophobicContact CD2-CZ3 3.61Å; L378-F468 HydrophobicContact CD2-CD2 4.34Å
379K67.1Low58.2Low36 Ų3675.7 Ų75.716%0.15741%0.405CS..SBendtrans-87.521.5172.4-61.7-178.7-171.6157.40112.6L443 L444 I459 E465 D466 W467K379-L443 WeakPolarHBondContact O-CB 3.43Å; K379-L443 PolarHBondContact O-N 2.81Å; K379-L444 HydrophobicContact CB-CD1 4.38Å; K379-L444 HydrophobicContact CB-CG 4.36Å; K379-L444 HydrophobicContact CD-CD1 4.19Å; K379-L444 HydrophobicContact CD-CD2 4.43Å; K379-I459 HydrophobicContact CB-CD1 4.12Å; K379-I459 HydrophobicContact CB-CG2 4.46Å; K379-I459 WeakPolarHBondContact O-CD1 3.48Å; K379-E465 HydrophobicContact CD-CG 4.13Å; K379-E465 IonicContact NZ-OE1 3.02Å; K379-E465 PolarHBondContact NZ-OE1 3.19Å; K379-E465 VanDerWaalsContact NZ-OE1 3.16Å; K379-D466 VanDerWaalsContact CD-O 3.28Å; K379-D466 WeakPolarHBondContact CD-O 3.18Å; K379-D466 VanDerWaalsContact CE-O 3.29Å; K379-D466 WeakPolarHBondContact CE-O 3.41Å; K379-D466 PolarHBondContact NZ-O 3.44Å; K379-W467 PolarHBondContact N-O 3.46Å
380Y72.1Confident59.7Low1 Ų178.4 Ų78.40%0.00442%0.418CS..EExtended strand (participates in β ladder)trans-145.5147.417262.9-91.3000111.5L378 R382 Y440 K441 E452 V455 K456 I459 W467L378-Y380 HydrophobicContact CB-CD1 4.4Å; L378-Y380 HydrophobicContact CB-CE1 4.32Å; L378-Y380 HydrophobicContact CD1-CE1 4.43Å; L378-Y380 HydrophobicContact CD1-CE2 4.04Å; L378-Y380 PolarHBondContact O-N 3.02Å; Y380-R382 PolarHBondContact O-N 3.25Å; Y380-Y440 HydrophobicContact CD2-CD1 4.05Å; Y380-Y440 AromaticContact CE2-CD1 3.99Å; Y380-Y440 HydrophobicContact CE2-CD1 3.99Å; Y380-Y440 HydrophobicContact CE2-CE1 4.43Å; Y380-K441 CarbonylContact C-O 3.56Å; Y380-K441 WeakPolarHBondContact CA-O 3.2Å; Y380-K441 VanDerWaalsContact CB-O 3.26Å; Y380-K441 WeakPolarHBondContact CB-O 3.32Å; Y380-E452 HydrophobicContact CE2-CG 4.24Å; Y380-E452 PolarHBondContact OH-OE1 3.08Å; Y380-V455 HydrophobicContact CD1-CG1 3.88Å; Y380-V455 HydrophobicContact CD2-CG1 3.73Å; Y380-V455 HydrophobicContact CE1-CG1 4.31Å; Y380-V455 HydrophobicContact CE2-CG1 4.19Å; Y380-V455 HydrophobicContact CG-CB 4.5Å; Y380-V455 HydrophobicContact CG-CG1 3.58Å; Y380-V455 HydrophobicContact CG-CG2 4.09Å; Y380-K456 HydrophobicContact CE1-CD 4.45Å; Y380-K456 HydrophobicContact CE1-CG 3.81Å; Y380-K456 WeakPolarHBondContact OH-CE 3.28Å; Y380-K456 PolarHBondContact OH-NZ 3.37Å; Y380-I459 HydrophobicContact CD1-CD1 3.82Å; Y380-I459 HydrophobicContact CG-CD1 4.4Å; Y380-W467 HydrophobicContact CE1-CD2 4.48Å; Y380-W467 AromaticContact CE1-CE3 3.76Å; Y380-W467 HydrophobicContact CE1-CE3 3.76Å; Y380-W467 HydrophobicContact CE1-CZ3 4.43Å
381T74.5Confident61.1Low69 Ų6979.8 Ų79.842%0.42342%0.42SS..EExtended strand (participates in β ladder)trans-74.2120.9169.7-48.70000109.4K441 L443T381-K441 PolarHBondContact N-O 2.97Å; T381-K441 PolarHBondContact O-N 3.45Å; T381-L443 WeakPolarHBondContact OG1-CD2 3.32Å
382R66.7Low62.3Low80 Ų8073.7 Ų73.730%0.30239%0.39SS..PPolyproline II helixtrans-71.7132.6166-166175.8-163.292.519.1109.1D375 Y380 G384 Y440 E452D375-R382 VanDerWaalsContact OD1-CB 3.31Å; D375-R382 WeakPolarHBondContact OD1-CB 3.48Å; Y380-R382 PolarHBondContact O-N 3.25Å; R382-G384 PolarHBondContact O-N 3.11Å; R382-Y440 HydrophobicContact CG-CE1 4.21Å; R382-E452 IonicContact CZ-OE1 3.54Å; R382-E452 IonicContact CZ-OE2 3.14Å; R382-E452 VanDerWaalsContact CZ-OE2 3.28Å; R382-E452 IonicContact NH1-OE1 2.68Å; R382-E452 PolarHBondContact NH1-OE1 2.98Å; R382-E452 IonicContact NH1-OE2 2.76Å; R382-E452 PolarHBondContact NH1-OE2 3.4Å; R382-E452 IonicContact NH2-OE2 2.67Å; R382-E452 PolarHBondContact NH2-OE2 2.88Å
383P64Low64Low23 Ų2372.1 Ų72.115%0.14938%0.379CS..PPolyproline II helixtrans-60.8130.8173.5-19.630.5000110.3L385 G438 Y440P383-L385 PolarHBondContact O-N 3.15Å; P383-G438 WeakPolarHBondContact CB-O 3.3Å; P383-G438 WeakPolarHBondContact CG-O 3.43Å; P383-Y440 VanDerWaalsContact CD-CE1 3.42Å; P383-Y440 HydrophobicContact CG-CD1 4.1Å; P383-Y440 HydrophobicContact CG-CD2 3.68Å; P383-Y440 HydrophobicContact CG-CE1 4.19Å; P383-Y440 HydrophobicContact CG-CE2 3.78Å; P383-Y440 HydrophobicContact CG-CG 3.82Å
384G53.7Low65.4Low65 Ų6574.8 Ų74.867%0.6739%0.388SS*.PPolyproline II helixtrans-59124.2167.200000109.3R382R382-G384 PolarHBondContact O-N 3.11Å
385L50.9Low66.9Low83 Ų8378.6 Ų78.644%0.43540%0.402SS..PPolyproline II helixtrans-58131171.2-176.970.8000108.1P383 T387 K424P383-L385 PolarHBondContact O-N 3.15Å; L385-T387 PolarHBondContact O-N 3.46Å; L385-K424 HydrophobicContact CD2-CD 4.34Å; L385-K424 HydrophobicContact CD2-CG 4.09Å
386P57.2Low68.5Low31 Ų3175.2 Ų75.220%0.20138%0.382CS..PPolyproline II helixtrans-50.4127.4-171.5-30.936.1000113.1F388P386-F388 HydrophobicContact CB-CE1 4.15Å; P386-F388 HydrophobicContact CB-CE2 4.25Å; P386-F388 HydrophobicContact CB-CZ 3.91Å; P386-F388 HydrophobicContact CG-CZ 4.43Å; P386-F388 WeakPolarHBondContact O-CD2 3.28Å; P386-F388 VanDerWaalsContact O-CE2 3.31Å; P386-F388 WeakPolarHBondContact O-CE2 3.49Å; P386-F388 PolarHBondContact O-N 2.81Å
387T55.2Low69.9Low146 Ų14668.7 Ų68.790%0.89636%0.361SS*.  trans-75.377.9178.9-53.20000109.6L385 S389L385-T387 PolarHBondContact O-N 3.46Å; T387-S389 PolarHBondContact O-N 3.49Å
388F64.3Low71Confident21 Ų2169.6 Ų69.69%0.09237%0.372CS..  trans-55.8129.6174.9-57.3-72.1000110.4P386 L393 W396 K424 L427 F435P386-F388 HydrophobicContact CB-CE1 4.15Å; P386-F388 HydrophobicContact CB-CE2 4.25Å; P386-F388 HydrophobicContact CB-CZ 3.91Å; P386-F388 HydrophobicContact CG-CZ 4.43Å; P386-F388 WeakPolarHBondContact O-CD2 3.28Å; P386-F388 VanDerWaalsContact O-CE2 3.31Å; P386-F388 WeakPolarHBondContact O-CE2 3.49Å; P386-F388 PolarHBondContact O-N 2.81Å; F388-L393 HydrophobicContact CB-CD2 4.07Å; F388-L393 HydrophobicContact CB-CG 4.19Å; F388-W396 AromaticContact CD1-CH2 3.59Å; F388-W396 HydrophobicContact CD1-CH2 3.59Å; F388-W396 HydrophobicContact CD1-CZ3 4.1Å; F388-W396 HydrophobicContact CD2-CZ3 4.41Å; F388-W396 AromaticContact CE1-CH2 3.76Å; F388-W396 HydrophobicContact CE1-CH2 3.76Å; F388-W396 HydrophobicContact CE1-CZ3 4.44Å; F388-W396 HydrophobicContact CG-CH2 4.06Å; F388-W396 HydrophobicContact CG-CZ3 4.09Å; F388-W396 HydrophobicContact CZ-CH2 4.35Å; F388-K424 HydrophobicContact CE2-CG 4.16Å; F388-L427 HydrophobicContact CE1-CD1 3.84Å; F388-L427 HydrophobicContact CZ-CB 3.94Å; F388-L427 HydrophobicContact CZ-CD1 3.66Å; F388-L427 HydrophobicContact CZ-CG 4.42Å; F388-F435 HydrophobicContact CD1-CE1 4.3Å; F388-F435 AromaticContact CE1-CD1 3.81Å; F388-F435 HydrophobicContact CE1-CD1 3.81Å; F388-F435 HydrophobicContact CE1-CE1 4.01Å; F388-F435 HydrophobicContact CE1-CG 4.5Å
389S69.1Low71.8Confident56 Ų5671 Ų7139%0.39238%0.38SS..  trans-60.7150.7178.3740000111T387 E391 V392 L393T387-S389 PolarHBondContact O-N 3.49Å; S389-E391 PolarHBondContact O-N 3.21Å; S389-V392 PolarHBondContact O-N 2.77Å; S389-V392 VanDerWaalsContact O-N 3.13Å; S389-V392 WeakPolarHBondContact OG-CG2 3.29Å; S389-V392 PolarHBondContact OG-N 3.08Å; S389-L393 PolarHBondContact O-N 3.28Å
390Q72.3Confident72.8Confident150 Ų15071 Ų7170%0.70138%0.381SS*.Hα-helixtrans-60.8-29.3-177.5-172.3161.4-25.100111.8H394Q390-H394 PolarHBondContact O-N 3.23Å; Q390-H394 VanDerWaalsContact O-N 3.1Å; Q390-H394 PolarHBondContact O-ND1 3.4Å
391E72.4Confident73.4Confident158 Ų15879.5 Ų79.574%0.73842%0.418SS*.Hα-helixtrans-65-48.6173.4-66.9157.6-162.800112.8S389 L393 H394 K395S389-E391 PolarHBondContact O-N 3.21Å; E391-L393 VanDerWaalsContact C-N 3.25Å; E391-L393 PolarHBondContact O-N 3.03Å; E391-H394 CarbonylContact O-C 3.49Å; E391-H394 WeakPolarHBondContact O-CA 3.47Å; E391-H394 PolarHBondContact O-N 3.38Å; E391-K395 PolarHBondContact O-N 3.3Å
392V79.4Confident74Confident50 Ų5083 Ų8330%0.30343%0.427SS..Hα-helixtrans-59.5-40.1177.9169.90000110.5S389 H394 K395 W396S389-V392 PolarHBondContact O-N 2.77Å; S389-V392 VanDerWaalsContact O-N 3.13Å; S389-V392 WeakPolarHBondContact OG-CG2 3.29Å; S389-V392 PolarHBondContact OG-N 3.08Å; V392-H394 VanDerWaalsContact C-N 3.34Å; V392-H394 PolarHBondContact O-N 2.96Å; V392-K395 PolarHBondContact O-N 3.29Å; V392-W396 HydrophobicContact CG1-CD2 3.89Å; V392-W396 VanDerWaalsContact CG1-CE2 3.47Å; V392-W396 HydrophobicContact CG1-CE3 4.16Å; V392-W396 HydrophobicContact CG1-CH2 3.7Å; V392-W396 HydrophobicContact CG1-CZ2 3.36Å; V392-W396 HydrophobicContact CG1-CZ3 4.09Å; V392-W396 WeakPolarHBondContact O-CB 3.39Å; V392-W396 VanDerWaalsContact O-CG 3.3Å; V392-W396 PolarHBondContact O-N 2.9Å
393L79.9Confident74.7Confident42 Ų4284 Ų8422%0.2243%0.432CS..Hα-helixtrans-65.6-33.3174.1-61.5175000112.8F388 S389 E391 W396 K397 V420F388-L393 HydrophobicContact CB-CD2 4.07Å; F388-L393 HydrophobicContact CB-CG 4.19Å; S389-L393 PolarHBondContact O-N 3.28Å; E391-L393 VanDerWaalsContact C-N 3.25Å; E391-L393 PolarHBondContact O-N 3.03Å; L393-W396 HydrophobicContact CD2-CE3 3.88Å; L393-W396 HydrophobicContact CD2-CZ3 3.96Å; L393-K397 VanDerWaalsContact O-CG 3.22Å; L393-K397 WeakPolarHBondContact O-CG 3.35Å; L393-K397 PolarHBondContact O-N 3.46Å; L393-K397 VanDerWaalsContact O-N 3.08Å; L393-V420 HydrophobicContact CD2-CG1 4.04Å
394H81.3Confident75.6Confident88 Ų8889.8 Ų89.841%0.40746%0.457SS..Hα-helixtrans-74.5-36.6174.1-76.999000113Q390 E391 V392 K397 T398Q390-H394 PolarHBondContact O-N 3.23Å; Q390-H394 VanDerWaalsContact O-N 3.1Å; Q390-H394 PolarHBondContact O-ND1 3.4Å; E391-H394 CarbonylContact O-C 3.49Å; E391-H394 WeakPolarHBondContact O-CA 3.47Å; E391-H394 PolarHBondContact O-N 3.38Å; V392-H394 VanDerWaalsContact C-N 3.34Å; V392-H394 PolarHBondContact O-N 2.96Å; H394-K397 PolarHBondContact NE2-NZ 2.98Å; H394-K397 PolarHBondContact O-N 3.09Å; H394-T398 WeakPolarHBondContact O-CB 3.44Å; H394-T398 PolarHBondContact O-N 2.88Å; H394-T398 PolarHBondContact O-OG1 3.24Å
395K83.8Confident77.1Confident141 Ų14194.2 Ų94.261%0.61345%0.453SS*.Hα-helixtrans-58.8-52.8171.3-172.6173.8179.6178.70110.2E391 V392 K397 T398 D399E391-K395 PolarHBondContact O-N 3.3Å; V392-K395 PolarHBondContact O-N 3.29Å; K395-K397 PolarHBondContact O-N 3.34Å; K395-T398 CarbonylContact O-C 3.52Å; K395-T398 WeakPolarHBondContact O-CA 3.43Å; K395-T398 WeakPolarHBondContact O-CB 3.3Å; K395-T398 PolarHBondContact O-N 2.97Å; K395-D399 PolarHBondContact O-N 3.46Å
396W88.5Confident78.7Confident17 Ų1791 Ų916%0.06444%0.436CS..Hα-helixtrans-59.2-40.5176.8-68.9-13.6000114.4F388 V392 L393 T398 D399 I400 I406 P409 V420 L423 L427F388-W396 AromaticContact CD1-CH2 3.59Å; F388-W396 HydrophobicContact CD1-CH2 3.59Å; F388-W396 HydrophobicContact CD1-CZ3 4.1Å; F388-W396 HydrophobicContact CD2-CZ3 4.41Å; F388-W396 AromaticContact CE1-CH2 3.76Å; F388-W396 HydrophobicContact CE1-CH2 3.76Å; F388-W396 HydrophobicContact CE1-CZ3 4.44Å; F388-W396 HydrophobicContact CG-CH2 4.06Å; F388-W396 HydrophobicContact CG-CZ3 4.09Å; F388-W396 HydrophobicContact CZ-CH2 4.35Å; V392-W396 HydrophobicContact CG1-CD2 3.89Å; V392-W396 VanDerWaalsContact CG1-CE2 3.47Å; V392-W396 HydrophobicContact CG1-CE3 4.16Å; V392-W396 HydrophobicContact CG1-CH2 3.7Å; V392-W396 HydrophobicContact CG1-CZ2 3.36Å; V392-W396 HydrophobicContact CG1-CZ3 4.09Å; V392-W396 WeakPolarHBondContact O-CB 3.39Å; V392-W396 VanDerWaalsContact O-CG 3.3Å; V392-W396 PolarHBondContact O-N 2.9Å; L393-W396 HydrophobicContact CD2-CE3 3.88Å; L393-W396 HydrophobicContact CD2-CZ3 3.96Å; W396-T398 VanDerWaalsContact C-N 3.29Å; W396-T398 PolarHBondContact O-N 3.38Å; W396-D399 PolarHBondContact O-N 2.97Å; W396-I400 WeakPolarHBondContact O-CG1 3.3Å; W396-I400 PolarHBondContact O-N 3.45Å; W396-I406 HydrophobicContact CB-CD1 3.51Å; W396-I406 HydrophobicContact CG-CD1 3.83Å; W396-I406 WeakPolarHBondContact O-CD1 3.4Å; W396-P409 HydrophobicContact CZ2-CG 3.69Å; W396-V420 HydrophobicContact CB-CG2 4.31Å; W396-V420 HydrophobicContact CE3-CG1 4.18Å; W396-L423 HydrophobicContact CD2-CD2 3.81Å; W396-L423 HydrophobicContact CE3-CD2 4.07Å; W396-L423 HydrophobicContact CG-CD2 4.26Å; W396-L423 HydrophobicContact CH2-CD2 4.4Å; W396-L423 HydrophobicContact CZ2-CD2 4.18Å; W396-L423 HydrophobicContact CZ3-CD2 4.34Å; W396-L427 HydrophobicContact CH2-CD1 3.57Å; W396-L427 HydrophobicContact CZ2-CD1 4.19Å; W396-L427 HydrophobicContact CZ3-CD1 4.26Å
397K85.2Confident80Confident112 Ų11296.2 Ų96.249%0.48746%0.458SS..Hα-helixtrans-59.7-40.8171.6-74169.4-169.2175.20111.7L393 H394 K395 K401 V420L393-K397 VanDerWaalsContact O-CG 3.22Å; L393-K397 WeakPolarHBondContact O-CG 3.35Å; L393-K397 PolarHBondContact O-N 3.46Å; L393-K397 VanDerWaalsContact O-N 3.08Å; H394-K397 PolarHBondContact NE2-NZ 2.98Å; H394-K397 PolarHBondContact O-N 3.09Å; K395-K397 PolarHBondContact O-N 3.34Å; K397-K401 WeakPolarHBondContact O-CB 3.43Å; K397-K401 PolarHBondContact O-N 3.36Å; K397-V420 HydrophobicContact CG-CG2 4.04Å
398T85.3Confident81.3Confident85 Ų8589.9 Ų89.952%0.52142%0.419SS..Hα-helixtrans-69.3-42.1179.3-55.30000111.6H394 K395 W396 I400 K401 K402H394-T398 WeakPolarHBondContact O-CB 3.44Å; H394-T398 PolarHBondContact O-N 2.88Å; H394-T398 PolarHBondContact O-OG1 3.24Å; K395-T398 CarbonylContact O-C 3.52Å; K395-T398 WeakPolarHBondContact O-CA 3.43Å; K395-T398 WeakPolarHBondContact O-CB 3.3Å; K395-T398 PolarHBondContact O-N 2.97Å; W396-T398 VanDerWaalsContact C-N 3.29Å; W396-T398 PolarHBondContact O-N 3.38Å; T398-I400 PolarHBondContact O-N 3Å; T398-K401 CarbonylContact O-C 3.57Å; T398-K401 PolarHBondContact O-N 3.43Å; T398-K401 VanDerWaalsContact O-N 3.11Å; T398-K402 WeakPolarHBondContact O-CB 3.36Å; T398-K402 PolarHBondContact O-N 2.9Å
399D84.8Confident82Confident38 Ų3891.6 Ų91.620%0.20343%0.433CS..Hα-helixtrans-64.6-38.3177.1-66.9-37.4000111.8K395 W396 K402 Y403 I406K395-D399 PolarHBondContact O-N 3.46Å; W396-D399 PolarHBondContact O-N 2.97Å; D399-K402 PolarHBondContact O-N 3.29Å; D399-Y403 HydrophobicContact CB-CD2 4.34Å; D399-Y403 WeakPolarHBondContact O-CB 3.44Å; D399-Y403 PolarHBondContact O-N 3.44Å; D399-I406 HydrophobicContact CB-CG1 4.46Å
400I88.6Confident82.2Confident34 Ų3489.2 Ų89.217%0.17442%0.415CS..Hα-helixtrans-63.4-45.9169-69.3158.7000110.7W396 T398 K402 H404 I406 V420W396-I400 WeakPolarHBondContact O-CG1 3.3Å; W396-I400 PolarHBondContact O-N 3.45Å; T398-I400 PolarHBondContact O-N 3Å; I400-K402 PolarHBondContact O-N 3.46Å; I400-H404 WeakPolarHBondContact O-CA 3.37Å; I400-H404 PolarHBondContact O-N 3.32Å; I400-I406 HydrophobicContact CD1-CD1 3.68Å; I400-I406 HydrophobicContact CD1-CG1 4.06Å; I400-I406 HydrophobicContact CG1-CD1 3.73Å; I400-I406 HydrophobicContact CG1-CG1 3.55Å; I400-V420 HydrophobicContact CD1-CB 4.43Å; I400-V420 HydrophobicContact CD1-CG2 3.5Å; I400-V420 VanDerWaalsContact CD1-N 3.34Å
401K85.4Confident81.9Confident180 Ų18090.2 Ų90.278%0.78342%0.42SS*.Hα-helixtrans-62.7-31.1179.9-169.9176.3178.9-177.60112.7K397 T398K397-K401 WeakPolarHBondContact O-CB 3.43Å; K397-K401 PolarHBondContact O-N 3.36Å; T398-K401 CarbonylContact O-C 3.57Å; T398-K401 PolarHBondContact O-N 3.43Å; T398-K401 VanDerWaalsContact O-N 3.11Å
402K85.4Confident81.5Confident142 Ų14285.9 Ų85.962%0.61742%0.417SS*.Hα-helixtrans-90.2-45.2-178.5-167.8176.9177-162.80113.5T398 D399 I400T398-K402 WeakPolarHBondContact O-CB 3.36Å; T398-K402 PolarHBondContact O-N 2.9Å; D399-K402 PolarHBondContact O-N 3.29Å; I400-K402 PolarHBondContact O-N 3.46Å
403Y81.8Confident81.4Confident103 Ų10384.5 Ų84.540%0.40441%0.41SS..Hα-helixtrans-112.8-5.1-171.1-51.7-63.7000114.2D399 R405D399-Y403 HydrophobicContact CB-CD2 4.34Å; D399-Y403 WeakPolarHBondContact O-CB 3.44Å; D399-Y403 PolarHBondContact O-N 3.44Å; Y403-R405 WeakPolarHBondContact O-CG 3.34Å; Y403-R405 PolarHBondContact O-N 3.22Å; Y403-R405 PolarHBondContact O-NH1 3.34Å
404H83.3Confident81.4Confident144 Ų14491.1 Ų91.167%0.66744%0.44SS*.SBendtrans59.99.7-176-6470.4000114.9I400I400-H404 WeakPolarHBondContact O-CA 3.37Å; I400-H404 PolarHBondContact O-N 3.32Å
405R84.3Confident81.4Confident157 Ų15788 Ų8859%0.59243%0.43SS*.  trans-155.9148.7-177.568.3-164.3177.7-9113111.3Y403 V416 Y417Y403-R405 WeakPolarHBondContact O-CG 3.34Å; Y403-R405 PolarHBondContact O-N 3.22Å; Y403-R405 PolarHBondContact O-NH1 3.34Å; R405-V416 HydrophobicContact CB-CG1 3.72Å; R405-V416 HydrophobicContact CG-CG1 4.33Å; R405-Y417 CarbonylContact C-O 3.58Å; R405-Y417 WeakPolarHBondContact CA-O 3.37Å
406I86.3Confident81.5Confident17 Ų1785.1 Ų85.19%0.08742%0.423CS..EExtended strand (participates in β ladder)trans-125.7138.5164.8-31.6175.5000107.8W396 D399 I400 V416 Y417 L423W396-I406 HydrophobicContact CB-CD1 3.51Å; W396-I406 HydrophobicContact CG-CD1 3.83Å; W396-I406 WeakPolarHBondContact O-CD1 3.4Å; D399-I406 HydrophobicContact CB-CG1 4.46Å; I400-I406 HydrophobicContact CD1-CD1 3.68Å; I400-I406 HydrophobicContact CD1-CG1 4.06Å; I400-I406 HydrophobicContact CG1-CD1 3.73Å; I400-I406 HydrophobicContact CG1-CG1 3.55Å; I406-V416 CarbonylContact O-C 3.56Å; I406-V416 WeakPolarHBondContact O-CA 3.49Å; I406-Y417 PolarHBondContact N-O 3.15Å; I406-Y417 PolarHBondContact O-N 2.96Å; I406-L423 HydrophobicContact CB-CD2 4.25Å; I406-L423 HydrophobicContact CD1-CD2 3.85Å; I406-L423 HydrophobicContact CG2-CD2 4.16Å
407Q82.8Confident81.5Confident140 Ų14087.4 Ų87.465%0.65443%0.432SS*.EExtended strand (participates in β ladder)trans-79.2162163.8-77.3162.5-42.400110.5A415 V416Q407-A415 CarbonylContact C-O 3.49Å; Q407-A415 WeakPolarHBondContact CA-O 3.43Å; Q407-V416 HydrophobicContact CG-CG2 4.04Å
408C82.3Confident81.5Confident12 Ų1286.4 Ų86.48%0.08144%0.44CS..  trans-65.2132.2172.3-168.10000110.7N410 C413 A415 L423 H426C408-N410 PolarHBondContact O-N 2.97Å; C408-N410 VanDerWaalsContact O-N 3.1Å; C408-C413 HydrophobicContact CB-CB 3.92Å; C408-A415 HydrophobicContact CB-CB 4.46Å; C408-A415 PolarHBondContact N-O 2.93Å; C408-L423 HydrophobicContact CB-CD1 4.48Å; C408-H426 PolarHBondContact SG-CD2 2.96Å; C408-H426 PolarHBondContact SG-NE2 2.78Å
409P79.8Confident81.5Confident58 Ų5884.8 Ų84.838%0.37743%0.432SS..SBendtrans-62.8-9172.9-22.831.3000115.3W396 F435W396-P409 HydrophobicContact CZ2-CG 3.69Å; P409-F435 HydrophobicContact CB-CD2 4.43Å; P409-F435 HydrophobicContact CB-CE2 4.21Å
410N72.8Confident81.4Confident5 Ų584.4 Ų84.43%0.02743%0.431CS..SBendtrans-85.2123.9-176.9-76.4-18.9000111.3C408 G412 C413 C430 L432 F435C408-N410 PolarHBondContact O-N 2.97Å; C408-N410 VanDerWaalsContact O-N 3.1Å; N410-G412 PolarHBondContact O-N 3.26Å; N410-C413 HydrophobicContact CB-CB 4.12Å; N410-C413 WeakPolarHBondContact O-CB 3.27Å; N410-C413 PolarHBondContact O-N 3.23Å; N410-C430 PolarHBondContact ND2-SG 3.07Å; N410-L432 WeakPolarHBondContact CB-O 3.47Å; N410-L432 PolarHBondContact ND2-O 3.01Å; N410-F435 WeakPolarHBondContact OD1-CD2 3.38Å; N410-F435 PolarHBondContact OD1-N 2.91Å
411Q66.1Low81.2Confident172 Ų17287.5 Ų87.580%0.80446%0.456SS*.THydrogen-bonded Turntrans-55133.6174.2-63.9-68.513.800110.9C413Q411-C413 VanDerWaalsContact C-N 3.34Å
412G64.9Low81.1Confident66 Ų6680 Ų8068%0.6843%0.429SS*.THydrogen-bonded Turntrans79.93.4-174.700000115.5N410 L432N410-G412 PolarHBondContact O-N 3.26Å; G412-L432 WeakPolarHBondContact O-CD1 3.27Å
413C77.7Confident80.9Confident22 Ų2273.2 Ų73.215%0.14940%0.399CS..  trans-111.3101.2178.1-165.10000113.2C408 N410 Q411 A415 H426C408-C413 HydrophobicContact CB-CB 3.92Å; N410-C413 HydrophobicContact CB-CB 4.12Å; N410-C413 WeakPolarHBondContact O-CB 3.27Å; N410-C413 PolarHBondContact O-N 3.23Å; Q411-C413 VanDerWaalsContact C-N 3.34Å; C413-A415 PolarHBondContact O-N 2.88Å; C413-A415 VanDerWaalsContact O-N 3.13Å; C413-H426 PolarHBondContact SG-CE1 3.5Å; C413-H426 PolarHBondContact SG-NE2 3.42Å
414E79.2Confident80.8Confident180 Ų18072.3 Ų72.384%0.84140%0.397SS*.  trans-75.47-179.8-57.9-175.2165.400114.6V416E414-V416 WeakPolarHBondContact O-CG2 3.41Å; E414-V416 PolarHBondContact O-N 3.19Å
415A80.9Confident80.5Confident24 Ų2468.7 Ų68.720%0.19839%0.393CS..  trans-66.8127.5-173.200000112.3Q407 C408 C413 Y417Q407-A415 CarbonylContact C-O 3.49Å; Q407-A415 WeakPolarHBondContact CA-O 3.43Å; C408-A415 HydrophobicContact CB-CB 4.46Å; C408-A415 PolarHBondContact N-O 2.93Å; C413-A415 PolarHBondContact O-N 2.88Å; C413-A415 VanDerWaalsContact O-N 3.13Å; A415-Y417 HydrophobicContact CB-CE2 3.65Å
416V86.6Confident80.3Confident79 Ų7962.5 Ų62.548%0.47937%0.37SS..EExtended strand (participates in β ladder)trans-113.4132-175.3-170.90000111.3R405 I406 Q407 E414R405-V416 HydrophobicContact CB-CG1 3.72Å; R405-V416 HydrophobicContact CG-CG1 4.33Å; I406-V416 CarbonylContact O-C 3.56Å; I406-V416 WeakPolarHBondContact O-CA 3.49Å; Q407-V416 HydrophobicContact CG-CG2 4.04Å; E414-V416 WeakPolarHBondContact O-CG2 3.41Å; E414-V416 PolarHBondContact O-N 3.19Å
417Y87.8Confident79.7Confident65 Ų6561.7 Ų61.726%0.25537%0.366SS..EExtended strand (participates in β ladder)trans-128.7137.1-177-64.9-76.5000113R405 I406 A415 L423 H426R405-Y417 CarbonylContact C-O 3.58Å; R405-Y417 WeakPolarHBondContact CA-O 3.37Å; I406-Y417 PolarHBondContact N-O 3.15Å; I406-Y417 PolarHBondContact O-N 2.96Å; A415-Y417 HydrophobicContact CB-CE2 3.65Å; Y417-L423 HydrophobicContact CD2-CB 4.18Å; Y417-L423 HydrophobicContact CD2-CD1 3.97Å; Y417-L423 HydrophobicContact CG-CB 4.29Å; Y417-H426 HydrophobicContact CD2-CB 4.43Å; Y417-H426 HydrophobicContact CE1-CB 4.29Å; Y417-H426 HydrophobicContact CE2-CB 3.55Å; Y417-H426 AromaticContact CE2-CD2 3.73Å; Y417-H426 AromaticContact CE2-CG 3.47Å; Y417-H426 VanDerWaalsContact CE2-CG 3.47Å; Y417-H426 VanDerWaalsContact CZ-CB 3.49Å; Y417-H426 AromaticContact CZ-CG 3.64Å; Y417-H426 AromaticContact CZ-ND1 3.96Å; Y417-H426 WeakPolarHBondContact OH-CB 3.35Å; Y417-H426 VanDerWaalsContact OH-CG 3.3Å; Y417-H426 PolarHBondContact OH-ND1 3.13Å; Y417-H426 VanDerWaalsContact OH-ND1 3.15Å
418S86.4Confident79.1Confident92 Ų9256.4 Ų56.464%0.64335%0.349SS*.SBendtrans-88.31.8173.955.30000113.9
419S85.3Confident78.2Confident50 Ų5060.1 Ų60.135%0.3538%0.375SS..SBendtrans-146.6145.6-179.168.10000112.8S421 G422 L423S419-S421 PolarHBondContact O-N 2.76Å; S419-G422 PolarHBondContact O-N 2.83Å; S419-G422 PolarHBondContact OG-N 2.76Å; S419-G422 VanDerWaalsContact OG-N 3.15Å; S419-L423 PolarHBondContact O-N 2.67Å; S419-L423 VanDerWaalsContact O-N 3.11Å
420V82.7Confident77.7Confident31 Ų3158 Ų5819%0.18836%0.362CS..Hα-helixtrans-59.8-37.8176.2-174.50000110.8L393 W396 K397 I400 L423 K424L393-V420 HydrophobicContact CD2-CG1 4.04Å; W396-V420 HydrophobicContact CB-CG2 4.31Å; W396-V420 HydrophobicContact CE3-CG1 4.18Å; K397-V420 HydrophobicContact CG-CG2 4.04Å; I400-V420 HydrophobicContact CD1-CB 4.43Å; I400-V420 HydrophobicContact CD1-CG2 3.5Å; I400-V420 VanDerWaalsContact CD1-N 3.34Å; V420-L423 PolarHBondContact O-N 2.76Å; V420-K424 VanDerWaalsContact O-CB 3.23Å; V420-K424 WeakPolarHBondContact O-CB 3.37Å; V420-K424 PolarHBondContact O-N 2.94Å
421S82.8Confident77.2Confident99 Ų9963.4 Ų63.469%0.69240%0.395SS*.Hα-helixtrans-65.1-39.2177.6-50.10000112.5S419 A425S419-S421 PolarHBondContact O-N 2.76Å; S421-A425 WeakPolarHBondContact O-CB 3.36Å; S421-A425 PolarHBondContact O-N 3.39Å
422G83.4Confident77Confident21 Ų2159.2 Ų59.222%0.21638%0.378CS..Hα-helixtrans-64.3-47.7174.900000112S419 K424 A425 H426S419-G422 PolarHBondContact O-N 2.83Å; S419-G422 PolarHBondContact OG-N 2.76Å; S419-G422 VanDerWaalsContact OG-N 3.15Å; G422-K424 PolarHBondContact O-N 3.33Å; G422-A425 PolarHBondContact O-N 3.02Å; G422-H426 WeakPolarHBondContact O-CB 3.49Å; G422-H426 PolarHBondContact O-N 2.91Å
423L82.7Confident76.7Confident0 Ų057.6 Ų57.60%036%0.361CS..Hα-helixtrans-62-43.3175.6178.660.1000111.9W396 I406 C408 Y417 S419 V420 A425 H426 L427W396-L423 HydrophobicContact CD2-CD2 3.81Å; W396-L423 HydrophobicContact CE3-CD2 4.07Å; W396-L423 HydrophobicContact CG-CD2 4.26Å; W396-L423 HydrophobicContact CH2-CD2 4.4Å; W396-L423 HydrophobicContact CZ2-CD2 4.18Å; W396-L423 HydrophobicContact CZ3-CD2 4.34Å; I406-L423 HydrophobicContact CB-CD2 4.25Å; I406-L423 HydrophobicContact CD1-CD2 3.85Å; I406-L423 HydrophobicContact CG2-CD2 4.16Å; C408-L423 HydrophobicContact CB-CD1 4.48Å; Y417-L423 HydrophobicContact CD2-CB 4.18Å; Y417-L423 HydrophobicContact CD2-CD1 3.97Å; Y417-L423 HydrophobicContact CG-CB 4.29Å; S419-L423 PolarHBondContact O-N 2.67Å; S419-L423 VanDerWaalsContact O-N 3.11Å; V420-L423 PolarHBondContact O-N 2.76Å; L423-A425 VanDerWaalsContact C-N 3.34Å; L423-A425 PolarHBondContact O-N 3.43Å; L423-H426 PolarHBondContact O-N 3.45Å; L423-L427 HydrophobicContact CD1-CD1 4.08Å; L423-L427 HydrophobicContact CD1-CG 4.13Å; L423-L427 HydrophobicContact CG-CD1 3.96Å; L423-L427 HydrophobicContact CG-CG 4.44Å; L423-L427 WeakPolarHBondContact O-CG 3.38Å; L423-L427 PolarHBondContact O-N 2.89Å
424K78.4Confident75.6Confident84 Ų8464.2 Ų64.237%0.36540%0.395SS..Hα-helixtrans-64.4-35.8178-179168179.5173.20112.7L385 F388 V420 G422 G428L385-K424 HydrophobicContact CD2-CD 4.34Å; L385-K424 HydrophobicContact CD2-CG 4.09Å; F388-K424 HydrophobicContact CE2-CG 4.16Å; V420-K424 VanDerWaalsContact O-CB 3.23Å; V420-K424 WeakPolarHBondContact O-CB 3.37Å; V420-K424 PolarHBondContact O-N 2.94Å; G422-K424 PolarHBondContact O-N 3.33Å; K424-G428 PolarHBondContact O-N 3.46Å
425A77.3Confident74.3Confident69 Ų6959.9 Ų59.957%0.5737%0.374SS*.Hα-helixtrans-69.2-41.8173.500000111.7S421 G422 L423 G428S421-A425 WeakPolarHBondContact O-CB 3.36Å; S421-A425 PolarHBondContact O-N 3.39Å; G422-A425 PolarHBondContact O-N 3.02Å; L423-A425 VanDerWaalsContact C-N 3.34Å; L423-A425 PolarHBondContact O-N 3.43Å; A425-G428 PolarHBondContact O-N 3.37Å
426H79.6Confident73Confident26 Ų2663.2 Ų63.212%0.1239%0.391CS..Hα-helixtrans-64-42.6175.7169.875.3000112.9C408 C413 Y417 G422 L423 G428 S429 C430C408-H426 PolarHBondContact SG-CD2 2.96Å; C408-H426 PolarHBondContact SG-NE2 2.78Å; C413-H426 PolarHBondContact SG-CE1 3.5Å; C413-H426 PolarHBondContact SG-NE2 3.42Å; Y417-H426 HydrophobicContact CD2-CB 4.43Å; Y417-H426 HydrophobicContact CE1-CB 4.29Å; Y417-H426 HydrophobicContact CE2-CB 3.55Å; Y417-H426 AromaticContact CE2-CD2 3.73Å; Y417-H426 AromaticContact CE2-CG 3.47Å; Y417-H426 VanDerWaalsContact CE2-CG 3.47Å; Y417-H426 VanDerWaalsContact CZ-CB 3.49Å; Y417-H426 AromaticContact CZ-CG 3.64Å; Y417-H426 AromaticContact CZ-ND1 3.96Å; Y417-H426 WeakPolarHBondContact OH-CB 3.35Å; Y417-H426 VanDerWaalsContact OH-CG 3.3Å; Y417-H426 PolarHBondContact OH-ND1 3.13Å; Y417-H426 VanDerWaalsContact OH-ND1 3.15Å; G422-H426 WeakPolarHBondContact O-CB 3.49Å; G422-H426 PolarHBondContact O-N 2.91Å; L423-H426 PolarHBondContact O-N 3.45Å; H426-G428 PolarHBondContact O-N 3.08Å; H426-G428 VanDerWaalsContact O-N 3.15Å; H426-S429 CarbonylContact O-C 3.49Å; H426-S429 PolarHBondContact O-N 3.34Å; H426-S429 PolarHBondContact O-OG 2.84Å; H426-C430 PolarHBondContact NE2-SG 3.04Å; H426-C430 VanDerWaalsContact NE2-SG 3.41Å; H426-C430 WeakPolarHBondContact O-CB 3.16Å; H426-C430 PolarHBondContact O-N 3.47Å
427L74.9Confident71.5Confident0 Ų060.9 Ų60.90%038%0.381CS..Hα-helixtrans-64.1-16.9175.1-71.8169.2000113.1F388 W396 L423 S429 F435F388-L427 HydrophobicContact CE1-CD1 3.84Å; F388-L427 HydrophobicContact CZ-CB 3.94Å; F388-L427 HydrophobicContact CZ-CD1 3.66Å; F388-L427 HydrophobicContact CZ-CG 4.42Å; W396-L427 HydrophobicContact CH2-CD1 3.57Å; W396-L427 HydrophobicContact CZ2-CD1 4.19Å; W396-L427 HydrophobicContact CZ3-CD1 4.26Å; L423-L427 HydrophobicContact CD1-CD1 4.08Å; L423-L427 HydrophobicContact CD1-CG 4.13Å; L423-L427 HydrophobicContact CG-CD1 3.96Å; L423-L427 HydrophobicContact CG-CG 4.44Å; L423-L427 WeakPolarHBondContact O-CG 3.38Å; L423-L427 PolarHBondContact O-N 2.89Å; L427-S429 VanDerWaalsContact C-N 3.31Å; L427-F435 HydrophobicContact CD2-CB 4.16Å
428G69.9Low70.1Confident29 Ų2959.4 Ų59.430%0.29939%0.385SS..THydrogen-bonded Turntrans-78.1-8.4169.600000114.9K424 A425 H426K424-G428 PolarHBondContact O-N 3.46Å; A425-G428 PolarHBondContact O-N 3.37Å; H426-G428 PolarHBondContact O-N 3.08Å; H426-G428 VanDerWaalsContact O-N 3.15Å
429S62.7Low69.3Low90 Ų9060.1 Ų60.163%0.62938%0.377SS*.THydrogen-bonded Turntrans-137.6-1-178.1600000114.8H426 L427 T431H426-S429 CarbonylContact O-C 3.49Å; H426-S429 PolarHBondContact O-N 3.34Å; H426-S429 PolarHBondContact O-OG 2.84Å; L427-S429 VanDerWaalsContact C-N 3.31Å; S429-T431 PolarHBondContact O-N 3.38Å
430C69.8Low68.9Low13 Ų1359.6 Ų59.69%0.08837%0.367CS..  trans-75.4112.6177.9-168.10000110.4N410 H426 L432N410-C430 PolarHBondContact ND2-SG 3.07Å; H426-C430 PolarHBondContact NE2-SG 3.04Å; H426-C430 VanDerWaalsContact NE2-SG 3.41Å; H426-C430 WeakPolarHBondContact O-CB 3.16Å; H426-C430 PolarHBondContact O-N 3.47Å; C430-L432 VanDerWaalsContact C-N 3.3Å; C430-L432 PolarHBondContact SG-O 3.33Å
431T63.1Low68.7Low120 Ų12062.5 Ų62.574%0.73638%0.377SS*.  trans-86.91.8-179.155.50000113.8S429S429-T431 PolarHBondContact O-N 3.38Å
432L61.8Low68.7Low84 Ų8457.9 Ų57.944%0.4435%0.345SS..SBendtrans-106.6141.8176.7-54.8177.2000107.9N410 G412 C430N410-L432 WeakPolarHBondContact CB-O 3.47Å; N410-L432 PolarHBondContact ND2-O 3.01Å; G412-L432 WeakPolarHBondContact O-CD1 3.27Å; C430-L432 VanDerWaalsContact C-N 3.3Å; C430-L432 PolarHBondContact SG-O 3.33Å
433G58Low68.6Low32 Ų3261.7 Ų61.733%0.3336%0.36SS..SBendtrans83.5173.9175.600000116.3F435 V436G433-F435 PolarHBondContact O-N 2.93Å; G433-V436 WeakPolarHBondContact O-CG2 3.08Å
434N53.7Low68.3Low161 Ų16165.6 Ų65.686%0.86138%0.38SS*.SBendtrans-82.2-11.4-164.3-149.337.5000114.4V436N434-V436 PolarHBondContact O-N 2.88Å
435F52.4Low68.4Low88 Ų8863.8 Ų63.839%0.38638%0.378SS..  trans-80.354.1170.8-70.8-79.4000111.4F388 P409 N410 L427 G433 A437F388-F435 HydrophobicContact CD1-CE1 4.3Å; F388-F435 AromaticContact CE1-CD1 3.81Å; F388-F435 HydrophobicContact CE1-CD1 3.81Å; F388-F435 HydrophobicContact CE1-CE1 4.01Å; F388-F435 HydrophobicContact CE1-CG 4.5Å; P409-F435 HydrophobicContact CB-CD2 4.43Å; P409-F435 HydrophobicContact CB-CE2 4.21Å; N410-F435 WeakPolarHBondContact OD1-CD2 3.38Å; N410-F435 PolarHBondContact OD1-N 2.91Å; L427-F435 HydrophobicContact CD2-CB 4.16Å; G433-F435 PolarHBondContact O-N 2.93Å; F435-A437 PolarHBondContact O-N 3.21Å
436V53.5Low68.5Low94 Ų9468 Ų6857%0.5739%0.386SS*.  trans-65.3108.2174.7179.20000108.2G433 N434 G438G433-V436 WeakPolarHBondContact O-CG2 3.08Å; N434-V436 PolarHBondContact O-N 2.88Å; V436-G438 PolarHBondContact O-N 3.47Å
437A54.8Low68.4Low31 Ų3172.4 Ų72.426%0.25640%0.404SS..PPolyproline II helixtrans-53.7123.3161.100000107.4F435F435-A437 PolarHBondContact O-N 3.21Å
438G59.8Low68.7Low33 Ų3376.6 Ų76.634%0.3442%0.424SS..PPolyproline II helixtrans-57.7169.4-163.300000114.4P383 V436P383-G438 WeakPolarHBondContact CB-O 3.3Å; P383-G438 WeakPolarHBondContact CG-O 3.43Å; V436-G438 PolarHBondContact O-N 3.47Å
439K69.4Low69Low108 Ų10877.3 Ų77.347%0.4742%0.419SS..PPolyproline II helixtrans-77.1135.6180-52.9172.8-165.4172.50110.8K441 E448 F449K439-K441 PolarHBondContact O-N 3.17Å; K439-E448 HydrophobicContact CB-CB 3.9Å; K439-E448 HydrophobicContact CD-CB 3.65Å; K439-E448 HydrophobicContact CD-CG 4.27Å; K439-E448 WeakPolarHBondContact CD-OE2 3.34Å; K439-E448 WeakPolarHBondContact CE-OE2 3.43Å; K439-E448 HydrophobicContact CG-CB 4.45Å; K439-E448 IonicContact NZ-OE2 3.39Å; K439-E448 PolarHBondContact NZ-OE2 2.83Å; K439-F449 CarbonylContact C-O 3.56Å; K439-F449 WeakPolarHBondContact CA-O 3.48Å
440Y76Confident69.3Low38 Ų3878.8 Ų78.815%0.14942%0.424CS..EExtended strand (participates in β ladder)trans-67.7123.9171.8-65.9-104.8000108.6Y380 R382 P383 E448 F449 E452 V455Y380-Y440 HydrophobicContact CD2-CD1 4.05Å; Y380-Y440 AromaticContact CE2-CD1 3.99Å; Y380-Y440 HydrophobicContact CE2-CD1 3.99Å; Y380-Y440 HydrophobicContact CE2-CE1 4.43Å; R382-Y440 HydrophobicContact CG-CE1 4.21Å; P383-Y440 VanDerWaalsContact CD-CE1 3.42Å; P383-Y440 HydrophobicContact CG-CD1 4.1Å; P383-Y440 HydrophobicContact CG-CD2 3.68Å; P383-Y440 HydrophobicContact CG-CE1 4.19Å; P383-Y440 HydrophobicContact CG-CE2 3.78Å; P383-Y440 HydrophobicContact CG-CG 3.82Å; Y440-E448 CarbonylContact O-C 3.58Å; Y440-F449 PolarHBondContact N-O 2.97Å; Y440-F449 PolarHBondContact O-N 3.24Å; Y440-E452 HydrophobicContact CD1-CB 4.05Å; Y440-E452 HydrophobicContact CD1-CG 4.31Å; Y440-E452 HydrophobicContact CE1-CB 3.45Å; Y440-E452 VanDerWaalsContact CE1-CB 3.45Å; Y440-E452 HydrophobicContact CE1-CG 3.8Å; Y440-E452 HydrophobicContact CE2-CB 4.43Å; Y440-V455 HydrophobicContact CD1-CG1 4.2Å; Y440-V455 HydrophobicContact CG-CG1 4.3Å
441K78Confident69.3Low93 Ų9381 Ų8140%0.40444%0.439SS..EExtended strand (participates in β ladder)trans-105.9128.7-178.5-51.9-154-168.5-151.90111.1Y380 T381 K439 L443 E448Y380-K441 CarbonylContact C-O 3.56Å; Y380-K441 WeakPolarHBondContact CA-O 3.2Å; Y380-K441 VanDerWaalsContact CB-O 3.26Å; Y380-K441 WeakPolarHBondContact CB-O 3.32Å; T381-K441 PolarHBondContact N-O 2.97Å; T381-K441 PolarHBondContact O-N 3.45Å; K439-K441 PolarHBondContact O-N 3.17Å; K441-L443 PolarHBondContact O-N 3.11Å; K441-E448 HydrophobicContact CD-CG 4.21Å; K441-E448 WeakPolarHBondContact CE-OE1 3.5Å; K441-E448 HydrophobicContact CG-CG 4.31Å; K441-E448 IonicContact NZ-OE1 2.76Å; K441-E448 PolarHBondContact NZ-OE1 3.46Å
442C83.8Confident69.9Low1 Ų177.3 Ų77.31%0.00741%0.414CS..EExtended strand (participates in β ladder)trans-67.4128.1171.9-176.70000110L444 Q446 K447 F449 V455 H458C442-L444 PolarHBondContact O-N 2.96Å; C442-L444 PolarHBondContact SG-N 2.84Å; C442-Q446 WeakPolarHBondContact O-CA 3.41Å; C442-Q446 PolarHBondContact O-N 3.18Å; C442-K447 PolarHBondContact N-O 2.79Å; C442-F449 HydrophobicContact CB-CE2 4.28Å; C442-V455 HydrophobicContact CB-CG2 4.02Å; C442-H458 PolarHBondContact SG-NE2 2.94Å; C442-H458 VanDerWaalsContact SG-NE2 3.44Å
443L80.9Confident70.4Confident102 Ų10277.7 Ų77.753%0.53442%0.424SS..THydrogen-bonded Turntrans-77.6-9.9178.6-70172.8000113.1K379 T381 K441K379-L443 WeakPolarHBondContact O-CB 3.43Å; K379-L443 PolarHBondContact O-N 2.81Å; T381-L443 WeakPolarHBondContact OG1-CD2 3.32Å; K441-L443 PolarHBondContact O-N 3.11Å
444L77.2Confident71.5Confident81 Ų8177.1 Ų77.142%0.42442%0.418SS..THydrogen-bonded Turntrans-92.2-22.5-179.4-55176.4000113.6K379 C442 I459 H463K379-L444 HydrophobicContact CB-CD1 4.38Å; K379-L444 HydrophobicContact CB-CG 4.36Å; K379-L444 HydrophobicContact CD-CD1 4.19Å; K379-L444 HydrophobicContact CD-CD2 4.43Å; C442-L444 PolarHBondContact O-N 2.96Å; C442-L444 PolarHBondContact SG-N 2.84Å; L444-I459 HydrophobicContact CD1-CG2 4.18Å; L444-H463 VanDerWaalsContact CB-CE1 3.48Å; L444-H463 WeakPolarHBondContact CB-CE1 3.09Å; L444-H463 HydrophobicContact CD1-CB 3.68Å
445C80Confident72.8Confident47 Ų4769.5 Ų69.532%0.31838%0.377SS..THydrogen-bonded Turntrans-149.410.7179.268.20000114.9K447 H458 H463C445-K447 PolarHBondContact O-N 2.64Å; C445-H458 VanDerWaalsContact SG-CE1 3.55Å; C445-H458 PolarHBondContact SG-NE2 3.35Å; C445-H463 PolarHBondContact SG-NE2 3.21Å; C445-H463 VanDerWaalsContact SG-NE2 3.41Å
446Q78.9Confident74.2Confident158 Ų15867.3 Ų67.374%0.73837%0.367SS*.  trans60-2.6177.9-52-168.83200117.2C442 E448C442-Q446 WeakPolarHBondContact O-CA 3.41Å; C442-Q446 PolarHBondContact O-N 3.18Å; Q446-E448 PolarHBondContact O-N 2.94Å
447K77.8Confident75.6Confident117 Ų11771.1 Ų71.151%0.50937%0.372SS..  trans-54.6137176.6-67.3-177.6-167.9-69.20111.5C442 C445 F449C442-K447 PolarHBondContact N-O 2.79Å; C445-K447 PolarHBondContact O-N 2.64Å; K447-F449 HydrophobicContact CB-CE2 3.78Å; K447-F449 HydrophobicContact CB-CZ 4.02Å; K447-F449 WeakPolarHBondContact O-CD2 3.42Å; K447-F449 VanDerWaalsContact O-CE2 3.3Å; K447-F449 WeakPolarHBondContact O-CE2 3.39Å
448E81.3Confident77Confident88 Ų8870.1 Ų70.141%0.41136%0.363SS..EExtended strand (participates in β ladder)trans-99.9134.3-173.4-52.9-168.5127.400112K439 Y440 K441 Q446K439-E448 HydrophobicContact CB-CB 3.9Å; K439-E448 HydrophobicContact CD-CB 3.65Å; K439-E448 HydrophobicContact CD-CG 4.27Å; K439-E448 WeakPolarHBondContact CD-OE2 3.34Å; K439-E448 WeakPolarHBondContact CE-OE2 3.43Å; K439-E448 HydrophobicContact CG-CB 4.45Å; K439-E448 IonicContact NZ-OE2 3.39Å; K439-E448 PolarHBondContact NZ-OE2 2.83Å; Y440-E448 CarbonylContact O-C 3.58Å; K441-E448 HydrophobicContact CD-CG 4.21Å; K441-E448 WeakPolarHBondContact CE-OE1 3.5Å; K441-E448 HydrophobicContact CG-CG 4.31Å; K441-E448 IonicContact NZ-OE1 2.76Å; K441-E448 PolarHBondContact NZ-OE1 3.46Å; Q446-E448 PolarHBondContact O-N 2.94Å
449F76.4Confident78.1Confident44 Ų4468.6 Ų68.619%0.19335%0.346CS..EExtended strand (participates in β ladder)trans-128.2140.6-177.3-61-89.3000111.4K439 Y440 C442 K447 S451 V455 H458K439-F449 CarbonylContact C-O 3.56Å; K439-F449 WeakPolarHBondContact CA-O 3.48Å; Y440-F449 PolarHBondContact N-O 2.97Å; Y440-F449 PolarHBondContact O-N 3.24Å; C442-F449 HydrophobicContact CB-CE2 4.28Å; K447-F449 HydrophobicContact CB-CE2 3.78Å; K447-F449 HydrophobicContact CB-CZ 4.02Å; K447-F449 WeakPolarHBondContact O-CD2 3.42Å; K447-F449 VanDerWaalsContact O-CE2 3.3Å; K447-F449 WeakPolarHBondContact O-CE2 3.39Å; F449-S451 PolarHBondContact O-N 3.06Å; F449-V455 HydrophobicContact CB-CB 4.09Å; F449-V455 HydrophobicContact CD2-CB 3.67Å; F449-V455 HydrophobicContact CD2-CG2 3.66Å; F449-V455 HydrophobicContact CE2-CB 4.4Å; F449-V455 HydrophobicContact CE2-CG2 4.07Å; F449-V455 HydrophobicContact CG-CB 3.97Å; F449-V455 HydrophobicContact CG-CG2 4.45Å; F449-H458 HydrophobicContact CE1-CB 3.8Å; F449-H458 HydrophobicContact CE2-CB 4.14Å; F449-H458 AromaticContact CE2-CD2 3.39Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.44Å; F449-H458 AromaticContact CE2-CG 3.79Å; F449-H458 HydrophobicContact CZ-CB 3.5Å; F449-H458 VanDerWaalsContact CZ-CB 3.5Å; F449-H458 AromaticContact CZ-CD2 3.36Å; F449-H458 WeakPolarHBondContact CZ-CD2 3.27Å; F449-H458 AromaticContact CZ-CG 3.25Å; F449-H458 AromaticContact CZ-ND1 3.85Å
450V67.9Low78.8Confident122 Ų12266.8 Ų66.874%0.73934%0.342SS*.SBendtrans-76.5-9.9178.7-172.10000112.2
451S70.9Confident79.1Confident58 Ų5867.8 Ų67.841%0.40635%0.354SS..SBendtrans-141149.4-178.567.90000114.4F449 S453 G454 V455F449-S451 PolarHBondContact O-N 3.06Å; S451-S453 VanDerWaalsContact C-N 3.28Å; S451-S453 PolarHBondContact O-N 3.2Å; S451-G454 PolarHBondContact O-N 3.45Å; S451-G454 VanDerWaalsContact O-N 3.12Å; S451-G454 PolarHBondContact OG-N 3.23Å; S451-G454 VanDerWaalsContact OG-N 3.12Å; S451-V455 PolarHBondContact O-N 3.27Å
452E74.8Confident79.2Confident43 Ų4367.9 Ų67.920%0.20136%0.363CS..Hα-helixtrans-59.6-38.2174.7-168.2173173.700112Y380 R382 Y440 G454 V455 K456Y380-E452 HydrophobicContact CE2-CG 4.24Å; Y380-E452 PolarHBondContact OH-OE1 3.08Å; R382-E452 IonicContact CZ-OE1 3.54Å; R382-E452 IonicContact CZ-OE2 3.14Å; R382-E452 VanDerWaalsContact CZ-OE2 3.28Å; R382-E452 IonicContact NH1-OE1 2.68Å; R382-E452 PolarHBondContact NH1-OE1 2.98Å; R382-E452 IonicContact NH1-OE2 2.76Å; R382-E452 PolarHBondContact NH1-OE2 3.4Å; R382-E452 IonicContact NH2-OE2 2.67Å; R382-E452 PolarHBondContact NH2-OE2 2.88Å; Y440-E452 HydrophobicContact CD1-CB 4.05Å; Y440-E452 HydrophobicContact CD1-CG 4.31Å; Y440-E452 HydrophobicContact CE1-CB 3.45Å; Y440-E452 VanDerWaalsContact CE1-CB 3.45Å; Y440-E452 HydrophobicContact CE1-CG 3.8Å; Y440-E452 HydrophobicContact CE2-CB 4.43Å; E452-G454 VanDerWaalsContact C-N 3.34Å; E452-V455 WeakPolarHBondContact O-CG1 3.04Å; E452-K456 HydrophobicContact CG-CD 4.34Å; E452-K456 WeakPolarHBondContact O-CB 3.47Å; E452-K456 WeakPolarHBondContact O-CG 3.49Å; E452-K456 PolarHBondContact O-N 2.76Å; E452-K456 VanDerWaalsContact O-N 3.1Å; E452-K456 WeakPolarHBondContact OE1-CE 3.44Å; E452-K456 IonicContact OE1-NZ 3.76Å; E452-K456 PolarHBondContact OE1-NZ 2.98Å
453S72.9Confident79Confident93 Ų9370.5 Ų70.565%0.6538%0.375SS*.Hα-helixtrans-66.1-36.2175.8-560000112.3S451 Y457S451-S453 VanDerWaalsContact C-N 3.28Å; S451-S453 PolarHBondContact O-N 3.2Å; S453-Y457 VanDerWaalsContact O-CB 3.31Å; S453-Y457 WeakPolarHBondContact O-CB 3.44Å; S453-Y457 PolarHBondContact O-N 2.9Å
454G81.6Confident78.7Confident20 Ų2069.9 Ų69.921%0.20639%0.385CS..Hα-helixtrans-64-50.2177.100000112.2S451 E452 K456 Y457 H458S451-G454 PolarHBondContact O-N 3.45Å; S451-G454 VanDerWaalsContact O-N 3.12Å; S451-G454 PolarHBondContact OG-N 3.23Å; S451-G454 VanDerWaalsContact OG-N 3.12Å; E452-G454 VanDerWaalsContact C-N 3.34Å; G454-K456 PolarHBondContact O-N 3.03Å; G454-Y457 PolarHBondContact O-N 3.01Å; G454-H458 WeakPolarHBondContact O-CB 3.16Å; G454-H458 PolarHBondContact O-N 2.88Å
455V80.2Confident78.5Confident0 Ų070.8 Ų70.80%039%0.387CS..Hα-helixtrans-67.5-36.4179.372.80000112.3Y380 Y440 C442 F449 S451 E452 H458 I459Y380-V455 HydrophobicContact CD1-CG1 3.88Å; Y380-V455 HydrophobicContact CD2-CG1 3.73Å; Y380-V455 HydrophobicContact CE1-CG1 4.31Å; Y380-V455 HydrophobicContact CE2-CG1 4.19Å; Y380-V455 HydrophobicContact CG-CB 4.5Å; Y380-V455 HydrophobicContact CG-CG1 3.58Å; Y380-V455 HydrophobicContact CG-CG2 4.09Å; Y440-V455 HydrophobicContact CD1-CG1 4.2Å; Y440-V455 HydrophobicContact CG-CG1 4.3Å; C442-V455 HydrophobicContact CB-CG2 4.02Å; F449-V455 HydrophobicContact CB-CB 4.09Å; F449-V455 HydrophobicContact CD2-CB 3.67Å; F449-V455 HydrophobicContact CD2-CG2 3.66Å; F449-V455 HydrophobicContact CE2-CB 4.4Å; F449-V455 HydrophobicContact CE2-CG2 4.07Å; F449-V455 HydrophobicContact CG-CB 3.97Å; F449-V455 HydrophobicContact CG-CG2 4.45Å; S451-V455 PolarHBondContact O-N 3.27Å; E452-V455 WeakPolarHBondContact O-CG1 3.04Å; V455-H458 PolarHBondContact O-N 3.23Å; V455-I459 HydrophobicContact CG2-CD1 4.05Å; V455-I459 WeakPolarHBondContact O-CD1 3.48Å; V455-I459 WeakPolarHBondContact O-CG1 3.31Å; V455-I459 PolarHBondContact O-N 3.27Å
456K82.2Confident78.2Confident43 Ų4373 Ų7319%0.18740%0.395CS..Hα-helixtrans-64.5-46.5173.6-74.5178.7-171.9176.30112.2Y380 E452 G454 H458 I459 N460 W467Y380-K456 HydrophobicContact CE1-CD 4.45Å; Y380-K456 HydrophobicContact CE1-CG 3.81Å; Y380-K456 WeakPolarHBondContact OH-CE 3.28Å; Y380-K456 PolarHBondContact OH-NZ 3.37Å; E452-K456 HydrophobicContact CG-CD 4.34Å; E452-K456 WeakPolarHBondContact O-CB 3.47Å; E452-K456 WeakPolarHBondContact O-CG 3.49Å; E452-K456 PolarHBondContact O-N 2.76Å; E452-K456 VanDerWaalsContact O-N 3.1Å; E452-K456 WeakPolarHBondContact OE1-CE 3.44Å; E452-K456 IonicContact OE1-NZ 3.76Å; E452-K456 PolarHBondContact OE1-NZ 2.98Å; G454-K456 PolarHBondContact O-N 3.03Å; K456-H458 VanDerWaalsContact C-N 3.32Å; K456-H458 PolarHBondContact O-N 3.35Å; K456-I459 PolarHBondContact O-N 3.41Å; K456-N460 PolarHBondContact O-N 3.44Å; K456-N460 VanDerWaalsContact O-N 3.07Å; K456-N460 PolarHBondContact O-OD1 2.83Å; K456-W467 HydrophobicContact CD-CD2 3.9Å; K456-W467 HydrophobicContact CD-CE3 4.16Å; K456-W467 HydrophobicContact CD-CG 4.37Å; K456-W467 HydrophobicContact CD-CH2 4.41Å; K456-W467 HydrophobicContact CD-CZ2 4.16Å; K456-W467 HydrophobicContact CD-CZ3 4.4Å; K456-W467 VanDerWaalsContact CE-CZ3 3.48Å; K456-W467 HydrophobicContact CG-CB 4.32Å; K456-W467 HydrophobicContact CG-CD2 3.97Å; K456-W467 HydrophobicContact CG-CE3 4.32Å; K456-W467 HydrophobicContact CG-CG 3.98Å
457Y82.6Confident77.5Confident173 Ų17368.8 Ų68.868%0.67837%0.373SS*.Hα-helixtrans-57.7-47.9175.5174.4-104.1000110.8S453 G454 I459 N460 S461S453-Y457 VanDerWaalsContact O-CB 3.31Å; S453-Y457 WeakPolarHBondContact O-CB 3.44Å; S453-Y457 PolarHBondContact O-N 2.9Å; G454-Y457 PolarHBondContact O-N 3.01Å; Y457-I459 PolarHBondContact O-N 2.92Å; Y457-N460 PolarHBondContact O-N 3.46Å; Y457-S461 VanDerWaalsContact O-CB 3.24Å; Y457-S461 WeakPolarHBondContact O-CB 3.48Å; Y457-S461 PolarHBondContact O-N 3.49Å; Y457-S461 PolarHBondContact O-OG 2.87Å
458H84.5Confident77.1Confident11 Ų1166 Ų665%0.05136%0.361CS..Hα-helixtrans-59.3-42.6178.1161.465.5000113.4C442 C445 F449 G454 V455 K456 S461 V462 H463C442-H458 PolarHBondContact SG-NE2 2.94Å; C442-H458 VanDerWaalsContact SG-NE2 3.44Å; C445-H458 VanDerWaalsContact SG-CE1 3.55Å; C445-H458 PolarHBondContact SG-NE2 3.35Å; F449-H458 HydrophobicContact CE1-CB 3.8Å; F449-H458 HydrophobicContact CE2-CB 4.14Å; F449-H458 AromaticContact CE2-CD2 3.39Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.44Å; F449-H458 AromaticContact CE2-CG 3.79Å; F449-H458 HydrophobicContact CZ-CB 3.5Å; F449-H458 VanDerWaalsContact CZ-CB 3.5Å; F449-H458 AromaticContact CZ-CD2 3.36Å; F449-H458 WeakPolarHBondContact CZ-CD2 3.27Å; F449-H458 AromaticContact CZ-CG 3.25Å; F449-H458 AromaticContact CZ-ND1 3.85Å; G454-H458 WeakPolarHBondContact O-CB 3.16Å; G454-H458 PolarHBondContact O-N 2.88Å; V455-H458 PolarHBondContact O-N 3.23Å; K456-H458 VanDerWaalsContact C-N 3.32Å; K456-H458 PolarHBondContact O-N 3.35Å; H458-S461 PolarHBondContact O-N 2.87Å; H458-V462 VanDerWaalsContact ND1-CG2 3.33Å; H458-V462 WeakPolarHBondContact ND1-CG2 3.48Å; H458-V462 WeakPolarHBondContact O-CB 3.46Å; H458-V462 PolarHBondContact O-N 3.36Å; H458-H463 AromaticContact CE1-CD2 3.93Å; H458-H463 AromaticContact CE1-NE2 3.7Å; H458-H463 AromaticContact NE2-CD2 3.76Å; H458-H463 AromaticContact NE2-NE2 3.52Å
459I83.3Confident76.3Confident0 Ų065.6 Ų65.60%036%0.364CS..Hα-helixtrans-64.6-46.1176.9-68.2159.7000110.8K379 Y380 L444 V455 K456 Y457 S461 H463 A464 E465 W467K379-I459 HydrophobicContact CB-CD1 4.12Å; K379-I459 HydrophobicContact CB-CG2 4.46Å; K379-I459 WeakPolarHBondContact O-CD1 3.48Å; Y380-I459 HydrophobicContact CD1-CD1 3.82Å; Y380-I459 HydrophobicContact CG-CD1 4.4Å; L444-I459 HydrophobicContact CD1-CG2 4.18Å; V455-I459 HydrophobicContact CG2-CD1 4.05Å; V455-I459 WeakPolarHBondContact O-CD1 3.48Å; V455-I459 WeakPolarHBondContact O-CG1 3.31Å; V455-I459 PolarHBondContact O-N 3.27Å; K456-I459 PolarHBondContact O-N 3.41Å; Y457-I459 PolarHBondContact O-N 2.92Å; I459-S461 VanDerWaalsContact C-N 3.31Å; I459-S461 PolarHBondContact O-N 3.21Å; I459-H463 CarbonylContact O-C 3.48Å; I459-H463 WeakPolarHBondContact O-CA 3.33Å; I459-H463 WeakPolarHBondContact O-CB 3.34Å; I459-H463 PolarHBondContact O-N 3.29Å; I459-A464 PolarHBondContact O-N 2.82Å; I459-E465 HydrophobicContact CG2-CB 4.46Å; I459-E465 WeakPolarHBondContact CG2-O 3.13Å; I459-E465 PolarHBondContact O-N 2.96Å; I459-W467 HydrophobicContact CB-CB 4.41Å; I459-W467 HydrophobicContact CD1-CB 4.32Å; I459-W467 HydrophobicContact CG2-CB 4.16Å
460N83.6Confident75.2Confident70 Ų7067.7 Ų67.737%0.37438%0.38SS..Hα-helixtrans-72.2-16.9178.2-78.197.3000114.6K456 Y457 E465 D466 W467K456-N460 PolarHBondContact O-N 3.44Å; K456-N460 VanDerWaalsContact O-N 3.07Å; K456-N460 PolarHBondContact O-OD1 2.83Å; Y457-N460 PolarHBondContact O-N 3.46Å; N460-E465 PolarHBondContact ND2-O 2.9Å; N460-D466 PolarHBondContact ND2-OD1 2.95Å; N460-W467 VanDerWaalsContact OD1-CD1 3.27Å
461S81.9Confident74.4Confident59 Ų5966.5 Ų66.541%0.41337%0.37SS..Hα-helixtrans-107.2-38-177.268.70000114.8Y457 H458 I459Y457-S461 VanDerWaalsContact O-CB 3.24Å; Y457-S461 WeakPolarHBondContact O-CB 3.48Å; Y457-S461 PolarHBondContact O-N 3.49Å; Y457-S461 PolarHBondContact O-OG 2.87Å; H458-S461 PolarHBondContact O-N 2.87Å; I459-S461 VanDerWaalsContact C-N 3.31Å; I459-S461 PolarHBondContact O-N 3.21Å
462V81.4Confident73.5Confident96 Ų9668.1 Ų68.158%0.58238%0.379SS*.Hα-helixtrans-95-36-178.8-179.30000111.6H458H458-V462 VanDerWaalsContact ND1-CG2 3.33Å; H458-V462 WeakPolarHBondContact ND1-CG2 3.48Å; H458-V462 WeakPolarHBondContact O-CB 3.46Å; H458-V462 PolarHBondContact O-N 3.36Å
463H78.4Confident72.2Confident55 Ų5571 Ų7126%0.25540%0.399SS..SBendtrans-96.1-6.6176.5-62.1-77.1000112.9L444 C445 H458 I459 E465L444-H463 VanDerWaalsContact CB-CE1 3.48Å; L444-H463 WeakPolarHBondContact CB-CE1 3.09Å; L444-H463 HydrophobicContact CD1-CB 3.68Å; C445-H463 PolarHBondContact SG-NE2 3.21Å; C445-H463 VanDerWaalsContact SG-NE2 3.41Å; H458-H463 AromaticContact CE1-CD2 3.93Å; H458-H463 AromaticContact CE1-NE2 3.7Å; H458-H463 AromaticContact NE2-CD2 3.76Å; H458-H463 AromaticContact NE2-NE2 3.52Å; I459-H463 CarbonylContact O-C 3.48Å; I459-H463 WeakPolarHBondContact O-CA 3.33Å; I459-H463 WeakPolarHBondContact O-CB 3.34Å; I459-H463 PolarHBondContact O-N 3.29Å; H463-E465 HydrophobicContact CB-CB 3.99Å; H463-E465 WeakPolarHBondContact O-CB 3.3Å; H463-E465 PolarHBondContact O-N 2.96Å
464A74.6Confident71.1Confident90 Ų9070.7 Ų70.774%0.74439%0.394SS*.  trans55.417.5-175.100000114.7I459I459-A464 PolarHBondContact O-N 2.82Å
465E73.6Confident69.9Low99 Ų9973.6 Ų73.646%0.46341%0.408SS..SBendtrans-116149-158.6-166.372.3-139.700110K379 I459 N460 H463 W467K379-E465 HydrophobicContact CD-CG 4.13Å; K379-E465 IonicContact NZ-OE1 3.02Å; K379-E465 PolarHBondContact NZ-OE1 3.19Å; K379-E465 VanDerWaalsContact NZ-OE1 3.16Å; I459-E465 HydrophobicContact CG2-CB 4.46Å; I459-E465 WeakPolarHBondContact CG2-O 3.13Å; I459-E465 PolarHBondContact O-N 2.96Å; N460-E465 PolarHBondContact ND2-O 2.9Å; H463-E465 HydrophobicContact CB-CB 3.99Å; H463-E465 WeakPolarHBondContact O-CB 3.3Å; H463-E465 PolarHBondContact O-N 2.96Å; E465-W467 PolarHBondContact O-N 2.93Å
466D73.1Confident68.8Low94 Ų9481.3 Ų81.350%0.50344%0.441SS..  trans-71129.6173.5-95.2-30.5000111.3K379 N460 F468K379-D466 VanDerWaalsContact CD-O 3.28Å; K379-D466 WeakPolarHBondContact CD-O 3.18Å; K379-D466 VanDerWaalsContact CE-O 3.29Å; K379-D466 WeakPolarHBondContact CE-O 3.41Å; K379-D466 PolarHBondContact NZ-O 3.44Å; N460-D466 PolarHBondContact ND2-OD1 2.95Å; D466-F468 PolarHBondContact O-N 3.33Å
467W64.3Low67.3Low69 Ų6982.7 Ų82.726%0.26146%0.456SS..SBendtrans-62.9-7.1178.464.2-84.9000114.9L378 K379 Y380 K456 I459 N460 E465L378-W467 WeakPolarHBondContact CA-O 3.35Å; L378-W467 HydrophobicContact CD2-CE3 3.8Å; L378-W467 HydrophobicContact CD2-CZ3 3.61Å; K379-W467 PolarHBondContact N-O 3.46Å; Y380-W467 HydrophobicContact CE1-CD2 4.48Å; Y380-W467 AromaticContact CE1-CE3 3.76Å; Y380-W467 HydrophobicContact CE1-CE3 3.76Å; Y380-W467 HydrophobicContact CE1-CZ3 4.43Å; K456-W467 HydrophobicContact CD-CD2 3.9Å; K456-W467 HydrophobicContact CD-CE3 4.16Å; K456-W467 HydrophobicContact CD-CG 4.37Å; K456-W467 HydrophobicContact CD-CH2 4.41Å; K456-W467 HydrophobicContact CD-CZ2 4.16Å; K456-W467 HydrophobicContact CD-CZ3 4.4Å; K456-W467 VanDerWaalsContact CE-CZ3 3.48Å; K456-W467 HydrophobicContact CG-CB 4.32Å; K456-W467 HydrophobicContact CG-CD2 3.97Å; K456-W467 HydrophobicContact CG-CE3 4.32Å; K456-W467 HydrophobicContact CG-CG 3.98Å; I459-W467 HydrophobicContact CB-CB 4.41Å; I459-W467 HydrophobicContact CD1-CB 4.32Å; I459-W467 HydrophobicContact CG2-CB 4.16Å; N460-W467 VanDerWaalsContact OD1-CD1 3.27Å; E465-W467 PolarHBondContact O-N 2.93Å
468F70.3Confident66.2Low59 Ų5980.7 Ų80.726%0.25945%0.451SS..BIsolated β-bridgetrans-130.5139.4-179.6172.8-105.3000111.2P373 K377 L378 D466 V470P373-F468 HydrophobicContact CB-CD2 3.61Å; P373-F468 HydrophobicContact CB-CE2 3.29Å; P373-F468 HydrophobicContact CB-CZ 4.16Å; P373-F468 HydrophobicContact CG-CD2 3.91Å; P373-F468 HydrophobicContact CG-CE2 3.92Å; K377-F468 HydrophobicContact CB-CD2 3.87Å; K377-F468 HydrophobicContact CB-CE2 3.49Å; K377-F468 VanDerWaalsContact CB-CE2 3.49Å; K377-F468 HydrophobicContact CB-CZ 4.5Å; K377-F468 HydrophobicContact CD-CE2 3.81Å; K377-F468 HydrophobicContact CD-CZ 4.26Å; K377-F468 HydrophobicContact CG-CE2 4.25Å; K377-F468 WeakPolarHBondContact O-CA 3.25Å; L378-F468 HydrophobicContact CD2-CD2 4.34Å; D466-F468 PolarHBondContact O-N 3.33Å; F468-V470 HydrophobicContact CD1-CG2 3.79Å; F468-V470 HydrophobicContact CE1-CG2 4.07Å; F468-V470 PolarHBondContact O-N 2.68Å
469V64.4Low65.6Low80 Ų8085.1 Ų85.149%0.48547%0.472SS..  trans-8395.2178.6-176.50000111.2K377 N471K377-V469 PolarHBondContact O-N 3.02Å; V469-N471 PolarHBondContact O-N 2.97Å
470V53.8Low65Low87 Ų8792.4 Ų92.453%0.52750%0.504SS..  trans-72.7119.1174.2-178.80000110.5F468 P472F468-V470 HydrophobicContact CD1-CG2 3.79Å; F468-V470 HydrophobicContact CE1-CG2 4.07Å; F468-V470 PolarHBondContact O-N 2.68Å; V470-P472 WeakPolarHBondContact O-CD 3.12Å
471N49.4Very low64.6Low98 Ų9894.5 Ų94.552%0.52451%0.514SS..  trans-88.3113.8-178-159-52.4000111.1V469 T473 T474V469-N471 PolarHBondContact O-N 2.97Å; N471-T473 PolarHBondContact O-N 3Å; N471-T473 PolarHBondContact OD1-OG1 3.25Å; N471-T473 VanDerWaalsContact OD1-OG1 3.08Å; N471-T474 PolarHBondContact O-N 2.96Å; N471-T474 PolarHBondContact O-OG1 3.36Å
472P51.8Low64.2Low92 Ų9296.4 Ų96.460%0.59752%0.518SS*.THydrogen-bonded Turntrans-72.9-2.8-162.929.2-37.2000115.3V470 T475V470-P472 WeakPolarHBondContact O-CD 3.12Å; P472-T475 PolarHBondContact O-OG1 3.2Å
473T48.6Very low64.1Low102 Ų10298 Ų9863%0.62652%0.517SS*.Hα-helixtrans-77-2318053.20000113.5N471N471-T473 PolarHBondContact O-N 3Å; N471-T473 PolarHBondContact OD1-OG1 3.25Å; N471-T473 VanDerWaalsContact OD1-OG1 3.08Å
474T49.5Very low64.2Low88 Ų8899.5 Ų99.554%0.5453%0.526SS..Hα-helixtrans-85.4-23.6-17360.70000114.2N471 S477N471-T474 PolarHBondContact O-N 2.96Å; N471-T474 PolarHBondContact O-OG1 3.36Å; T474-S477 PolarHBondContact O-OG 2.85Å; T474-S477 VanDerWaalsContact O-OG 3.05Å
475T56.1Low64.3Low80 Ų80101 Ų10149%0.49152%0.516SS..Hα-helixtrans-74.9-44.5-177.3540000112.1P472 S477 F478 E479P472-T475 PolarHBondContact O-OG1 3.2Å; T475-S477 VanDerWaalsContact C-N 3.3Å; T475-S477 PolarHBondContact O-N 3.37Å; T475-F478 PolarHBondContact O-N 2.69Å; T475-E479 PolarHBondContact O-N 2.85Å
476K56.9Low64.6Low163 Ų163102.8 Ų102.871%0.70952%0.524SS*.Hα-helixtrans-61.4-34.2-179.1-66.4-176.1179.1179.70113.1K480K476-K480 WeakPolarHBondContact O-CB 3.27Å; K476-K480 PolarHBondContact O-N 2.94Å
477S51.6Low65.1Low72 Ų72107.7 Ų107.750%0.50354%0.536SS..Hα-helixtrans-73.8-39.9176.859.20000112.1T474 T475 K480 L481T474-S477 PolarHBondContact O-OG 2.85Å; T474-S477 VanDerWaalsContact O-OG 3.05Å; T475-S477 VanDerWaalsContact C-N 3.3Å; T475-S477 PolarHBondContact O-N 3.37Å; S477-K480 PolarHBondContact O-N 3.47Å; S477-L481 PolarHBondContact O-N 3.38Å; S477-L481 VanDerWaalsContact O-N 3.09Å
478F58.9Low65.8Low131 Ų131110.3 Ų110.358%0.57555%0.551SS**Hα-helixtrans-63.8-43.8175.1-173.9-98.6000112.4T475 K480 L481 M482T475-F478 PolarHBondContact O-N 2.69Å; F478-K480 PolarHBondContact O-N 2.81Å; F478-L481 WeakPolarHBondContact O-CB 3.42Å; F478-L481 PolarHBondContact O-N 2.99Å; F478-M482 HydrophobicContact CD1-CG 4.33Å; F478-M482 HydrophobicContact CE1-CE 4.06Å; F478-M482 HydrophobicContact CE1-CG 4.01Å; F478-M482 HydrophobicContact CZ-CE 3.96Å; F478-M482 HydrophobicContact CZ-CG 4.35Å; F478-M482 HydrophobicContact CZ-SD 4.47Å; F478-M482 PolarHBondContact O-N 2.96Å
479E71.1Confident66.2Low104 Ų104112.1 Ų112.149%0.48656%0.56SS.*Hα-helixtrans-62.5-41.6177.5-160.3-154.7137.600112T475 L481 M482 K483T475-E479 PolarHBondContact O-N 2.85Å; E479-L481 VanDerWaalsContact C-N 3.3Å; E479-L481 PolarHBondContact O-N 3.45Å; E479-M482 PolarHBondContact O-N 3.49Å; E479-K483 PolarHBondContact O-N 3.41Å; E479-K483 WeakPolarHBondContact OE1-CE 3.48Å; E479-K483 IonicContact OE1-NZ 3.92Å; E479-K483 PolarHBondContact OE1-NZ 3.25Å
480K72.4Confident67.1Low152 Ų152114 Ų11466%0.66156%0.564SS**Hα-helixtrans-61.1-39.4174.8-165.7172.3-174.8176.50111.6K476 S477 F478 K483 I484K476-K480 WeakPolarHBondContact O-CB 3.27Å; K476-K480 PolarHBondContact O-N 2.94Å; S477-K480 PolarHBondContact O-N 3.47Å; F478-K480 PolarHBondContact O-N 2.81Å; K480-K483 PolarHBondContact O-N 2.6Å; K480-I484 WeakPolarHBondContact O-CD1 3.43Å; K480-I484 WeakPolarHBondContact O-CG1 3.42Å; K480-I484 PolarHBondContact O-N 3.02Å; K480-I484 VanDerWaalsContact O-N 3.11Å
481L75.4Confident68.6Low114 Ų114114.3 Ų114.360%0.59756%0.559SS**Hα-helixtrans-63.6-42.4175.5-123.4167.5000112.4S477 F478 E479 I484 K485S477-L481 PolarHBondContact O-N 3.38Å; S477-L481 VanDerWaalsContact O-N 3.09Å; F478-L481 WeakPolarHBondContact O-CB 3.42Å; F478-L481 PolarHBondContact O-N 2.99Å; E479-L481 VanDerWaalsContact C-N 3.3Å; E479-L481 PolarHBondContact O-N 3.45Å; L481-I484 PolarHBondContact O-N 3.05Å; L481-K485 PolarHBondContact O-N 3.14Å; L481-K485 VanDerWaalsContact O-N 3.08Å
482M73.6Confident70.2Confident100 Ų100115.8 Ų115.849%0.49356%0.563SS.*Hα-helixtrans-65.6-42.2176.7-69.8-64.9-124.800112.2F478 E479 I484 K485 Q486F478-M482 HydrophobicContact CD1-CG 4.33Å; F478-M482 HydrophobicContact CE1-CE 4.06Å; F478-M482 HydrophobicContact CE1-CG 4.01Å; F478-M482 HydrophobicContact CZ-CE 3.96Å; F478-M482 HydrophobicContact CZ-CG 4.35Å; F478-M482 HydrophobicContact CZ-SD 4.47Å; F478-M482 PolarHBondContact O-N 2.96Å; E479-M482 PolarHBondContact O-N 3.49Å; M482-I484 VanDerWaalsContact C-N 3.34Å; M482-I484 PolarHBondContact O-N 3.31Å; M482-K485 PolarHBondContact O-N 2.9Å; M482-Q486 PolarHBondContact O-N 3.07Å
483K79.3Confident71.7Confident129 Ų129117.6 Ų117.656%0.56156%0.561SS**Hα-helixtrans-59.9-40.2174-87.7166.6172.8160.40112.6E479 K480 R487E479-K483 PolarHBondContact O-N 3.41Å; E479-K483 WeakPolarHBondContact OE1-CE 3.48Å; E479-K483 IonicContact OE1-NZ 3.92Å; E479-K483 PolarHBondContact OE1-NZ 3.25Å; K480-K483 PolarHBondContact O-N 2.6Å; K483-R487 PolarHBondContact O-N 2.79Å; K483-R487 VanDerWaalsContact O-N 3.15Å
484I80.3Confident73.4Confident86 Ų86121 Ų12144%0.44156%0.563SS.*Hα-helixtrans-62.4-48.4174.8-68.8162.8000110.8K480 L481 M482 Q486 R487 Q488K480-I484 WeakPolarHBondContact O-CD1 3.43Å; K480-I484 WeakPolarHBondContact O-CG1 3.42Å; K480-I484 PolarHBondContact O-N 3.02Å; K480-I484 VanDerWaalsContact O-N 3.11Å; L481-I484 PolarHBondContact O-N 3.05Å; M482-I484 VanDerWaalsContact C-N 3.34Å; M482-I484 PolarHBondContact O-N 3.31Å; I484-Q486 VanDerWaalsContact C-N 3.33Å; I484-Q486 PolarHBondContact O-N 3.33Å; I484-R487 PolarHBondContact O-N 3.11Å; I484-Q488 WeakPolarHBondContact O-CG 3.19Å; I484-Q488 PolarHBondContact O-N 3.02Å; I484-Q488 VanDerWaalsContact O-N 3.08Å
485K77Confident74.9Confident121 Ų121125.1 Ų125.153%0.52657%0.568SS.*Hα-helixtrans-61.8-38.9-179.8-171.7175-176.9175.90112.7L481 M482 Q488 Q489L481-K485 PolarHBondContact O-N 3.14Å; L481-K485 VanDerWaalsContact O-N 3.08Å; M482-K485 PolarHBondContact O-N 2.9Å; K485-Q488 PolarHBondContact O-N 3.29Å; K485-Q489 PolarHBondContact O-N 2.88Å
486Q79.6Confident75.9Confident137 Ų137127.8 Ų127.864%0.6458%0.575SS**Hα-helixtrans-64.4-43.8176.1-172.8172.4-100111.7M482 I484 Q488 Q489 E490M482-Q486 PolarHBondContact O-N 3.07Å; I484-Q486 VanDerWaalsContact C-N 3.33Å; I484-Q486 PolarHBondContact O-N 3.33Å; Q486-Q488 VanDerWaalsContact C-N 3.35Å; Q486-Q488 PolarHBondContact O-N 2.83Å; Q486-Q489 PolarHBondContact O-N 2.83Å; Q486-E490 PolarHBondContact O-N 3.44Å; Q486-E490 VanDerWaalsContact O-N 3.11Å
487R82.1Confident76.9Confident198 Ų198126.2 Ų126.275%0.74757%0.571SS**Hα-helixtrans-63.7-37.8178.5-153.7179.7-164.8-155.25.1112.4K483 I484 E490 E491K483-R487 PolarHBondContact O-N 2.79Å; K483-R487 VanDerWaalsContact O-N 3.15Å; I484-R487 PolarHBondContact O-N 3.11Å; R487-E490 PolarHBondContact O-N 3.44Å; R487-E491 PolarHBondContact O-N 3.03Å
488Q80.3Confident78.1Confident123 Ų123129 Ų12958%0.57558%0.575SS**Hα-helixtrans-63.2-45.1174.4-72.8173.5-21.400112.4I484 K485 Q486 E490 E491 E492I484-Q488 WeakPolarHBondContact O-CG 3.19Å; I484-Q488 PolarHBondContact O-N 3.02Å; I484-Q488 VanDerWaalsContact O-N 3.08Å; K485-Q488 PolarHBondContact O-N 3.29Å; Q486-Q488 VanDerWaalsContact C-N 3.35Å; Q486-Q488 PolarHBondContact O-N 2.83Å; Q488-E490 VanDerWaalsContact C-N 3.28Å; Q488-E490 PolarHBondContact O-N 2.88Å; Q488-E491 PolarHBondContact O-N 3Å; Q488-E492 WeakPolarHBondContact O-CB 3.46Å; Q488-E492 PolarHBondContact O-N 3.42Å
489Q78.6Confident78.7Confident97 Ų97132.2 Ų132.245%0.45358%0.584SS.*Hα-helixtrans-65.5-30177.3-72-174.3-12.400113.1K485 Q486 K493K485-Q489 PolarHBondContact O-N 2.88Å; Q486-Q489 PolarHBondContact O-N 2.83Å; Q489-K493 WeakPolarHBondContact O-CD 3.34Å; Q489-K493 VanDerWaalsContact O-CG 3.26Å; Q489-K493 WeakPolarHBondContact O-CG 3.45Å; Q489-K493 PolarHBondContact O-N 2.87Å
490E83.7Confident78.7Confident121 Ų121131 Ų13157%0.56559%0.587SS**Hα-helixtrans-72.5-42.8174-175168.4-150.500111.8Q486 R487 Q488 K493 R494Q486-E490 PolarHBondContact O-N 3.44Å; Q486-E490 VanDerWaalsContact O-N 3.11Å; R487-E490 PolarHBondContact O-N 3.44Å; Q488-E490 VanDerWaalsContact C-N 3.28Å; Q488-E490 PolarHBondContact O-N 2.88Å; E490-K493 PolarHBondContact O-N 3.01Å; E490-R494 WeakPolarHBondContact O-CG 3.05Å; E490-R494 PolarHBondContact O-N 2.88Å
491E84.7Confident78.7Confident92 Ų92133.2 Ų133.243%0.4359%0.591SS.*Hα-helixtrans-63.3-42175.5-160-165.5136.300112.1R487 Q488 K493 R494 R495R487-E491 PolarHBondContact O-N 3.03Å; Q488-E491 PolarHBondContact O-N 3Å; E491-K493 PolarHBondContact O-N 3.06Å; E491-R494 PolarHBondContact O-N 3.05Å; E491-R495 WeakPolarHBondContact O-CG 3.3Å; E491-R495 PolarHBondContact O-N 2.93Å; E491-R495 IonicContact OE1-CZ 2.85Å; E491-R495 IonicContact OE1-NE 2.85Å; E491-R495 PolarHBondContact OE1-NE 3.04Å; E491-R495 IonicContact OE1-NH2 2.69Å; E491-R495 PolarHBondContact OE1-NH2 3.17Å
492E82.5Confident78.4Confident129 Ų129137 Ų13760%0.60360%0.597SS**Hα-helixtrans-58.6-46.1175.3-174.3173.4-15000111.6Q488 R494 R495 Q496Q488-E492 WeakPolarHBondContact O-CB 3.46Å; Q488-E492 PolarHBondContact O-N 3.42Å; E492-R494 PolarHBondContact O-N 3.11Å; E492-R495 PolarHBondContact O-N 3.22Å; E492-Q496 WeakPolarHBondContact O-CB 3.15Å; E492-Q496 PolarHBondContact O-N 3.31Å
493K83.9Confident77.9Confident130 Ų130136 Ų13657%0.56560%0.6SS**Hα-helixtrans-59.7-43.8174.2-74.2168.9-176.1174.70112.2Q489 E490 E491 Q496 Q497Q489-K493 WeakPolarHBondContact O-CD 3.34Å; Q489-K493 VanDerWaalsContact O-CG 3.26Å; Q489-K493 WeakPolarHBondContact O-CG 3.45Å; Q489-K493 PolarHBondContact O-N 2.87Å; E490-K493 PolarHBondContact O-N 3.01Å; E491-K493 PolarHBondContact O-N 3.06Å; K493-Q496 PolarHBondContact O-N 2.95Å; K493-Q497 WeakPolarHBondContact O-CG 3.32Å; K493-Q497 PolarHBondContact O-N 3.11Å
494R83.8Confident77.2Confident175 Ų175135.1 Ų135.166%0.6660%0.601SS**Hα-helixtrans-63.4-43176.8-69178.579.7-1375.5111.6E490 E491 E492 Q496 Q497 H498E490-R494 WeakPolarHBondContact O-CG 3.05Å; E490-R494 PolarHBondContact O-N 2.88Å; E491-R494 PolarHBondContact O-N 3.05Å; E492-R494 PolarHBondContact O-N 3.11Å; R494-Q496 VanDerWaalsContact C-N 3.33Å; R494-Q496 PolarHBondContact O-N 2.9Å; R494-Q497 PolarHBondContact O-N 3.4Å; R494-H498 WeakPolarHBondContact O-CB 3.16Å; R494-H498 PolarHBondContact O-N 2.86Å
495R81.4Confident76.3Confident173 Ų173140.9 Ų140.965%0.65362%0.617SS**Hα-helixtrans-60.2-41.6173.8-72.4174.6179.4-107.12.9111.6E491 E492 H498 R499E491-R495 WeakPolarHBondContact O-CG 3.3Å; E491-R495 PolarHBondContact O-N 2.93Å; E491-R495 IonicContact OE1-CZ 2.85Å; E491-R495 IonicContact OE1-NE 2.85Å; E491-R495 PolarHBondContact OE1-NE 3.04Å; E491-R495 IonicContact OE1-NH2 2.69Å; E491-R495 PolarHBondContact OE1-NH2 3.17Å; E492-R495 PolarHBondContact O-N 3.22Å; R495-H498 PolarHBondContact O-N 3.27Å; R495-R499 WeakPolarHBondContact O-CB 3.46Å; R495-R499 PolarHBondContact O-N 3.45Å
496Q77.6Confident75.3Confident136 Ų136145.3 Ų145.364%0.63663%0.631SS**Hα-helixtrans-70.6-40.1-179.6-158.9167.422.400112.6E492 K493 R494 R499 S500E492-Q496 WeakPolarHBondContact O-CB 3.15Å; E492-Q496 PolarHBondContact O-N 3.31Å; K493-Q496 PolarHBondContact O-N 2.95Å; R494-Q496 VanDerWaalsContact C-N 3.33Å; R494-Q496 PolarHBondContact O-N 2.9Å; Q496-R499 PolarHBondContact O-N 3.31Å; Q496-S500 PolarHBondContact O-N 3.14Å
497Q78.1Confident74.2Confident131 Ų131149.4 Ų149.461%0.61264%0.64SS**Hα-helixtrans-61.8-43.4170.8-73.3178.71.300112.2K493 R494 R499 S500 R501K493-Q497 WeakPolarHBondContact O-CG 3.32Å; K493-Q497 PolarHBondContact O-N 3.11Å; R494-Q497 PolarHBondContact O-N 3.4Å; Q497-R499 VanDerWaalsContact C-N 3.35Å; Q497-R499 PolarHBondContact O-N 3.43Å; Q497-S500 WeakPolarHBondContact O-CB 3.13Å; Q497-S500 PolarHBondContact O-N 3.47Å; Q497-R501 PolarHBondContact O-N 3.13Å
498H76.4Confident73Confident131 Ų131146.6 Ų146.661%0.60664%0.635SS**Hα-helixtrans-63.4-41177.2-170-112.3000111.9R494 R495 R501 R502R494-H498 WeakPolarHBondContact O-CB 3.16Å; R494-H498 PolarHBondContact O-N 2.86Å; R495-H498 PolarHBondContact O-N 3.27Å; H498-R501 PolarHBondContact O-N 3.3Å; H498-R502 PolarHBondContact O-N 3.49Å
499R70.3Confident71.5Confident197 Ų197148.5 Ų148.574%0.74364%0.644SS**Hα-helixtrans-60.1-45.4173.5-162174.7-170.8173.43.2111.4R495 Q496 Q497 R502 S503R495-R499 WeakPolarHBondContact O-CB 3.46Å; R495-R499 PolarHBondContact O-N 3.45Å; Q496-R499 PolarHBondContact O-N 3.31Å; Q497-R499 VanDerWaalsContact C-N 3.35Å; Q497-R499 PolarHBondContact O-N 3.43Å; R499-R502 PolarHBondContact O-N 2.95Å; R499-S503 PolarHBondContact O-N 3.22Å; R499-S503 PolarHBondContact O-OG 3.14Å
500S71.3Confident69.9Low79 Ų79149.3 Ų149.355%0.55266%0.658SS**Hα-helixtrans-60.8-45.8176.2-1770000112.7Q496 Q497 R502 S503 L504Q496-S500 PolarHBondContact O-N 3.14Å; Q497-S500 WeakPolarHBondContact O-CB 3.13Å; Q497-S500 PolarHBondContact O-N 3.47Å; S500-R502 VanDerWaalsContact C-N 3.34Å; S500-R502 PolarHBondContact O-N 3.02Å; S500-S503 WeakPolarHBondContact O-CB 3.21Å; S500-S503 PolarHBondContact O-N 2.84Å; S500-L504 PolarHBondContact O-N 2.91Å
501R72.7Confident68Low198 Ų198147 Ų14775%0.74767%0.667SS**Hα-helixtrans-60.7-39.5175-78.8-176.9164.9-170.4-5.2112.7Q497 H498 L504 R505Q497-R501 PolarHBondContact O-N 3.13Å; H498-R501 PolarHBondContact O-N 3.3Å; R501-L504 PolarHBondContact O-N 3.3Å; R501-R505 PolarHBondContact O-N 2.91Å; R501-R505 VanDerWaalsContact O-N 3.15Å
502R68.4Low65.9Low195 Ų195150.4 Ų150.474%0.73669%0.686SS**Hα-helixtrans-68.1-37.4176.5-159.6174.4-170.7-178.73.6112.1H498 R499 S500 R506H498-R502 PolarHBondContact O-N 3.49Å; R499-R502 PolarHBondContact O-N 2.95Å; S500-R502 VanDerWaalsContact C-N 3.34Å; S500-R502 PolarHBondContact O-N 3.02Å; R502-R506 PolarHBondContact O-N 2.88Å
503S64.1Low63.9Low79 Ų79152.7 Ų152.755%0.55270%0.697SS**Hα-helixtrans-63.5-39.4171.2-65.80000112.6R499 S500 R506R499-S503 PolarHBondContact O-N 3.22Å; R499-S503 PolarHBondContact O-OG 3.14Å; S500-S503 WeakPolarHBondContact O-CB 3.21Å; S500-S503 PolarHBondContact O-N 2.84Å; S503-R506 PolarHBondContact O-N 3.03Å
504L65.5Low61.8Low109 Ų109154.6 Ų154.657%0.57171%0.712SS**Hα-helixtrans-67.4-43-179.3-155.774.8000112S500 R501 R506 R507S500-L504 PolarHBondContact O-N 2.91Å; R501-L504 PolarHBondContact O-N 3.3Å; L504-R506 PolarHBondContact O-N 3.3Å; L504-R507 PolarHBondContact O-N 3.5Å; L504-R507 VanDerWaalsContact O-N 3.08Å
505R60.2Low59.7Low208 Ų208152 Ų15279%0.78572%0.718SS**Hα-helixtrans-62-39.1175.5-80.5-171.6171.8-122.90.9113.2R501 R507 Q508R501-R505 PolarHBondContact O-N 2.91Å; R501-R505 VanDerWaalsContact O-N 3.15Å; R505-R507 PolarHBondContact O-N 2.85Å; R505-R507 VanDerWaalsContact O-N 3.15Å; R505-Q508 PolarHBondContact O-N 3.45Å
506R56.8Low57.8Low214 Ų214152.3 Ų152.381%0.80873%0.727SS**THydrogen-bonded Turntrans-65.4-12.7175.4-178171.8-83.4-157.2-5.2113.2R502 S503 L504R502-R506 PolarHBondContact O-N 2.88Å; S503-R506 PolarHBondContact O-N 3.03Å; L504-R506 PolarHBondContact O-N 3.3Å
507R56.6Low55.7Low222 Ų222152.3 Ų152.384%0.83874%0.736SS**THydrogen-bonded Turntrans-101.211.8178.5-147.8178-169.8-90.51.3113.6L504 R505L504-R507 PolarHBondContact O-N 3.5Å; L504-R507 VanDerWaalsContact O-N 3.08Å; R505-R507 PolarHBondContact O-N 2.85Å; R505-R507 VanDerWaalsContact O-N 3.15Å
508Q56.9Low53.5Low139 Ų139153.4 Ų153.465%0.6574%0.741SS**SBendtrans-126.311.8-177.8-68.1-17715.100113.7R505 P510R505-Q508 PolarHBondContact O-N 3.45Å; Q508-P510 WeakPolarHBondContact O-CD 3.23Å
509Q47.6Very low51.3Low163 Ų163154 Ų15476%0.76275%0.748SS**PPolyproline II helixtrans-86.3120.4165-69.5-177.6-74.100108.3
510P44.7Very low49.4Very low115 Ų115149.7 Ų149.775%0.74775%0.749SS**PPolyproline II helixtrans-65.4154.8165.6-15.330.9000110.2Q508Q508-P510 WeakPolarHBondContact O-CD 3.23Å
511G44.4Very low47.5Very low72 Ų72152.7 Ų152.774%0.74276%0.757SS**PPolyproline II helixtrans-68.8138.4161.200000109.4
512I41.4Very low45.6Very low163 Ų163153.3 Ų153.384%0.83676%0.76SS**PPolyproline II helixtrans-102.6121.7164.1-63.5176.2000105.4
513E40.4Very low43.6Very low178 Ų178150.8 Ų150.883%0.83277%0.766SS**PPolyproline II helixtrans-68.5146177.6-55.1-89.8111.400109.6
514L39.8Very low41.9Very low169 Ų169150 Ų15089%0.88577%0.771SS**  trans-105.1126.4175.7-83166.6000110.3
515P40.2Very low40.3Very low120 Ų120154.1 Ų154.178%0.77978%0.784SS**  trans-89.3143.8157.9316.7000110.7
516E41.4Very low38.8Very low180 Ų180150.4 Ų150.484%0.84178%0.78SS**  trans-95.4137.4172.7-58.6174.9126.500110.3
517T31.9Very low37.6Very low137 Ų137147.2 Ų147.284%0.8477%0.774SS**  trans171.1141.6135.828.20000114.6
518E32.4Very low36.4Very low153 Ų153147.4 Ų147.472%0.71577%0.774SS**  trans52.6102.5141.3-57.8-57.587.300124.5
519L30.4Very low35.2Very low144 Ų144151 Ų15175%0.75478%0.782SS**  41.7107119.1-77165.6000123.1
520S31.1Very low34.4Very low107 Ų107147.9 Ų147.975%0.74877%0.771SS**  trans-174.2134.3133.5-88.10000111.1
521L30.7Very low34Very low141 Ų141149.1 Ų149.174%0.73877%0.767SS**  66.5123.667.9-63.8176.4000112.7
522R32.1Very low33.6Very low211 Ų211152.2 Ų152.280%0.79676%0.762SS**  cis-152.7166.34.3-62.5-161.8172.5-148.8-2.6113.3
523V27.5Very low33Very low142 Ų142152 Ų15286%0.86176%0.761SS**  trans35.5138.6134.7176.30000120
524G29Very low32.6Very low64 Ų64147.4 Ų147.466%0.6675%0.745SS**  cis158.7-149.54.900000112.8
525K30.9Very low32.1Very low195 Ų195145.3 Ų145.385%0.84874%0.739SS**  trans81111.5-170.9-67.8-175.9175.9-179.50114.2
526D28.6Very low31.5Very low130 Ų130144.4 Ų144.470%0.69574%0.736SS**  88.6140.779-88.2-79.6000112
527Q31.8Very low30.9Very low146 Ų146140.4 Ų140.468%0.68273%0.734SS**  cis-157.3161.219.5-151.9145.182.300113.7
528R31.9Very low30.6Very low226 Ų226139.1 Ų139.185%0.85373%0.73SS**  trans13.7149.3155.7-64.8171.7172.1169.2-5121
529R32.1Very low30.2Very low215 Ų215137.3 Ų137.381%0.81173%0.733SS**  cis-133149.119.7-94.5-178.8156.9161.1-7.2110.4
530N30.2Very low30.1Very low98 Ų98140.2 Ų140.252%0.52474%0.74SS.*  74135.367.2122.8-31.1000114.1
531E36.7Very low29.9Very low141 Ų141143.1 Ų143.166%0.65974%0.741SS**  cis-155.3146.87-140.2141.5-118.900114
532E35.3Very low30.1Very low136 Ų136141.7 Ų141.764%0.63674%0.74SS**  trans43.3161.6141.2-65.5-170.2128.200123.3V534E532-V534 HydrophobicContact CB-CG2 4.37Å; E532-V534 HydrophobicContact CG-CB 4.43Å; E532-V534 HydrophobicContact CG-CG2 3.88Å
533L28.7Very low29.8Very low159 Ų159139.1 Ų139.183%0.83274%0.737SS**  cis-125.3146.721.7-95.484.7000111.4
534V32.2Very low29.8Very low82 Ų82140.6 Ų140.650%0.49774%0.735SS.*  cis69.2125.715.2-1550000112.6E532E532-V534 HydrophobicContact CB-CG2 4.37Å; E532-V534 HydrophobicContact CG-CB 4.43Å; E532-V534 HydrophobicContact CG-CG2 3.88Å
535V29.2Very low29.9Very low124 Ų124145.7 Ų145.775%0.75274%0.741SS**  cis-143.7139.947.8-160.80000107.3
536S27.9Very low30.3Very low102 Ų102141.8 Ų141.871%0.71374%0.736SS**  55.1155.367.2-20.60000112.9
537A28.1Very low30.3Very low96 Ų96141.1 Ų141.179%0.79374%0.737SS**  cis-151.5-171.1-10.800000106.7
538S26.3Very low31.1Very low110 Ų110139.5 Ų139.577%0.76974%0.739SS**  cis-159.4-167.86.2-155.10000111.2
539C23.3Very low31Very low114 Ų114132.9 Ų132.977%0.7773%0.732SS**  trans-57.3144.9178.2-50.50000117.7
540K28.8Very low30.9Very low206 Ų206130.3 Ų130.390%0.89673%0.73SS**  -176.2128.3114.9-100169.6-176.2-177.80113.2
541E26.9Very low30.9Very low168 Ų168132.4 Ų132.479%0.78573%0.734SS**  trans-74.8156.4151.8-79.6-65.1133.100108.6
542P34Very low30.7Very low110 Ų110132 Ų13271%0.71473%0.733SS**  cis-147160.547.942.2-23.1000119.9
543E26.6Very low30.5Very low157 Ų157133.5 Ų133.573%0.73474%0.737SS**  trans66.7151.5140.8-79.5-160.310900123.2
544Q27.8Very low30.6Very low174 Ų174132 Ų13281%0.81373%0.734SS**  trans80.6125.9162.1-72.6165.252.900120.4
545E30.7Very low30.7Very low170 Ų170137.2 Ų137.279%0.79475%0.75SS**  trans-64.8165.5161.8-84.8-159.7131.300111.7
546P38.7Very low31.4Very low114 Ų114136.9 Ų136.974%0.7475%0.75SS**  cis-144.416729.942-22.1000120.2
547V29.1Very low32.4Very low116 Ų116137 Ų13770%0.70375%0.749SS**  trans-27.2148.4140.7166.10000113.9
548P47.9Very low32.6Very low111 Ų111141.7 Ų141.772%0.72175%0.751SS**  cis-136-168.222.832.1-8.9000116.4
549A29.8Very low32.9Very low87 Ų87142.7 Ų142.772%0.71975%0.753SS**  trans86.8147.9136.800000120
550Q31.3Very low33.4Very low162 Ų162144 Ų14476%0.75775%0.752SS**  cis-169.7178.6-29-151.9176.720.900108.5
551F29.3Very low33.6Very low142 Ų142143.1 Ų143.162%0.62375%0.751SS**  trans61.9106.3164.6-82.7-99.1000117.1
552Q32.3Very low34.2Very low133 Ų133144.3 Ų144.362%0.62175%0.753SS**  82.5149.8100.2-78.9-170.617.500114.3
553K31.1Very low34.2Very low167 Ų167150.9 Ų150.973%0.72676%0.764SS**  cis-160.2177.115.7-131167.4-179.1137.10111.1
554V30.9Very low34.6Very low127 Ų127146.9 Ų146.977%0.7776%0.764SS**  trans65.880.7145.5172.70000118.5
555K33.9Very low35Very low191 Ų191150 Ų15083%0.8377%0.769SS**  -27.3165.8120.1-86.9179.2-178.7176.40115.3
556P43.6Very low35.5Very low117 Ų117155.4 Ų155.476%0.7679%0.79SS**  cis-134.8-113.5-1.625.93.2000114.5
557P50.4Low35.3Very low105 Ų105157.5 Ų157.568%0.68279%0.792SS**  trans-131.2-171.8-130.343-21.7000115.2
558K32.4Very low35.6Very low195 Ų195159.6 Ų159.685%0.84880%0.797SS**  trans141.9147.4162-81.4155.2-172.9177.40107.8
559T33Very low35Very low131 Ų131162.3 Ų162.380%0.80480%0.801SS**  cis-154.8165-7.53.90000109.5
560N32Very low35.3Very low140 Ų140166.8 Ų166.875%0.74981%0.806SS**  trans-62.6148.4162.1-74.9-82.8000110.7
561H34.4Very low35.5Very low189 Ų189167.1 Ų167.188%0.87581%0.809SS**  -175.8159.7107.9-99.4-69.7000114.2
562K39.5Very low35.9Very low193 Ų193168.7 Ų168.784%0.83982%0.821SS**  trans-80.5140.8-178.2-59.6171176.5176.90112.7
563R33.6Very low36.2Very low248 Ų248171.3 Ų171.394%0.93684%0.835SS**  trans-172.3142.9131.3-97.6163.4-164.1-149.54107.1
564G35.3Very low36.6Very low72 Ų72171.6 Ų171.674%0.74284%0.844SS**  cis100.974.60.600000113
565R36.4Very low37.1Very low241 Ų241175.3 Ų175.391%0.90985%0.85SS**  trans-162.7131.6165.5-141.5178.9-172.5-165.80.9111.8
566K40.1Very low37.3Very low282 Ų282173.9 Ų173.9100%1.22685%0.852SS**  trans62.80-178.9-65-169.1173.6-172.40114

Retrieved 566 of 566 residues in 893.5 ms (Link to these results)