A0A5K4F1K7_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A5K4F1K7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,067 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low35.4Very low241 Ų241159.5 Ų159.5100%1.18785%0.845SS**  0139.30-77.8159.8163.600108.4
2V37.9Very low35Very low126 Ų126161.3 Ų161.376%0.76485%0.845SS**  trans41.9128.1144-171.70000119.4
3Q38.3Very low35Very low176 Ų176163.2 Ų163.282%0.82286%0.855SS**  cis-169.4156.7-30.7-124.1155.6-45.200108.6
4N35.5Very low34.6Very low143 Ų143159.3 Ų159.377%0.76585%0.848SS**  trans-123.2115.9176.9178.95000110.2
5P47.4Very low34.3Very low125 Ų125155.1 Ų155.181%0.81285%0.845SS**  trans-103.285.1179.936.8-29.6000112.6
6H32.8Very low34.2Very low158 Ų158157.3 Ų157.373%0.73185%0.847SS**  trans-103.3140.1151.1-128.2-85.2000107.1
7F31.6Very low34.2Very low207 Ų207155.8 Ų155.891%0.90885%0.845SS**  trans71.187.7-176.8-73-97000118.1
8A34.8Very low33.9Very low107 Ų107152.7 Ų152.788%0.88484%0.844SS**  trans-159149.6142.800000107.7
9S35.5Very low33.8Very low109 Ų109148.1 Ų148.176%0.76284%0.835SS**  cis-136.6168.7-2.357.40000111.2
10W26.6Very low33.9Very low243 Ų243148.6 Ų148.692%0.9284%0.835SS**  trans-117.5161.1160.4-112.256.5000108.1
11T34.6Very low33.7Very low120 Ų120146.2 Ų146.274%0.73683%0.834SS**  trans79147.3169.9-100000117.8
12Q30.3Very low33.5Very low181 Ų181139.8 Ų139.885%0.84682%0.819SS**  trans62.583.9167.7-63.8-176.9-91.500119.2
13L35.1Very low33.2Very low186 Ų186138.5 Ų138.597%0.97482%0.822SS**  -142.6144.7113.9-148.473.5000109.5
14S29.3Very low33Very low108 Ų108134.9 Ų134.976%0.75582%0.822SS**  trans-145.9144.4-166.356.60000113.2
15A29.8Very low33Very low97 Ų97132.8 Ų132.880%0.80283%0.825SS**  trans69.7170.8171.700000116.7
16Q33.1Very low32.1Very low189 Ų189131.9 Ų131.988%0.88383%0.828SS**  trans70.2120.1-177.1-59.4-177.22.100115.1
17T33.9Very low32Very low132 Ų132128.7 Ų128.781%0.8183%0.829SS**  cis-145.4147.2-6.6-63.80000110.4
18A29.1Very low31.9Very low100 Ų100123.3 Ų123.383%0.82682%0.823SS**  trans-73.2160.4178.100000113.2
19G32.5Very low31.6Very low65 Ų65123.2 Ų123.267%0.6782%0.822SS**  trans175.2101.3170.700000114.3
20N35.7Very low31.3Very low159 Ų159122.8 Ų122.885%0.8583%0.825SS**  trans46101.7148.7-49-14.5000117.1
21A29.5Very low31.7Very low98 Ų98115.6 Ų115.681%0.8182%0.817SS**  cis71120.744.700000115.7
22A30.3Very low31.6Very low106 Ų106116.7 Ų116.788%0.87682%0.824SS**  trans51.8120.7154.900000121.5
23A32.1Very low31.9Very low99 Ų99116.5 Ų116.582%0.81882%0.822SS**  trans-157.9152.4140.200000112.7
24A33Very low32.1Very low100 Ų100113.5 Ų113.583%0.82681%0.814SS**  trans52.293153.400000120.1
25A36Very low32.2Very low99 Ų99111.7 Ų111.782%0.81881%0.813SS**  -80178.8129.900000109.9
26A28.3Very low32.4Very low106 Ų106112.3 Ų112.388%0.87682%0.818SS**  trans81.7102.2171.700000119
27A31.8Very low32.6Very low92 Ų92107.3 Ų107.376%0.7682%0.817SS**  trans-160.2117134.100000106.2
28A28.4Very low32.7Very low94 Ų94105.6 Ų105.678%0.77782%0.816SS**  58.695.371.100000110.8
29A29.5Very low33.1Very low105 Ų105106 Ų10687%0.86881%0.81SS**  7092.767.900000113.6
30A29.3Very low33.1Very low99 Ų99113 Ų11382%0.81882%0.822SS**  trans-163.4166.6167.500000110.7
31A34.6Very low32.9Very low92 Ų92113.5 Ų113.576%0.7682%0.82SS**  trans51.38916800000116.7
32V31.6Very low32.9Very low144 Ų144117.7 Ų117.787%0.87382%0.82SS**  81.1124.451.4-172.80000114.3
33H37Very low33.3Very low176 Ų176118.8 Ų118.882%0.81582%0.818SS**  trans-49.1171.7166.6-87.6-67000114.2
34P39.1Very low33.1Very low123 Ų123121.1 Ų121.180%0.79982%0.817SS**  cis-154173.438.743.6-22.3000120.6
35G32.6Very low33.1Very low71 Ų71119.6 Ų119.673%0.73280%0.804SS**  trans78.9167.7145.600000117.9
36A33.8Very low32.8Very low110 Ų110121.5 Ų121.591%0.90980%0.801SS**  cis-158.7142.6-20.700000108.7
37G36.7Very low32.8Very low83 Ų83121.2 Ų121.286%0.85679%0.792SS**  trans162.872.1-176.700000113.5
38A35.7Very low32.7Very low96 Ų96126 Ų12679%0.79380%0.796SS**  trans-105.4-162.5177.900000110.3
39P36.9Very low32.9Very low108 Ų108130.1 Ų130.170%0.70180%0.799SS**  -121.8169.2-79.537.1-25.2000111.6
40F33.2Very low33Very low213 Ų213133 Ų13393%0.93479%0.794SS**  trans-136.3140.7159.2-103.7-77.8000114.1
41Q31.6Very low33Very low169 Ų169136 Ų13679%0.7980%0.796SS**  trans-83.1169.4-166.9-83.6160-82.500114.6
42F30Very low33.1Very low187 Ų187139.2 Ų139.282%0.8280%0.795SS**  trans-38.3160.1162.9-57.1-91.9000114.6
43P37.8Very low33.3Very low128 Ų128137.9 Ų137.983%0.83179%0.793SS**  -112.8146.8106.831.8-35.1000114.2
44N28.1Very low33.3Very low148 Ų148134.4 Ų134.479%0.79179%0.786SS**  trans-81.7174.9169176.232.7000110.5
45A32.8Very low33.1Very low68 Ų68135.2 Ų135.256%0.56278%0.783SS**  trans104.3108.6146.900000118.9
46N29.6Very low33.3Very low140 Ų140136.9 Ų136.975%0.74978%0.784SS**  71.4122.9119.5-62.6-9.5000121.7
47S29.1Very low33.5Very low100 Ų100136.3 Ų136.370%0.69977%0.773SS**  78.9133.8127.5-65.90000121.3
48F30.2Very low33.4Very low192 Ų192138.7 Ų138.784%0.84277%0.771SS**  trans15.2109.3131.8-69.7-97.7000117.7
49Q31.4Very low33.4Very low181 Ų181138 Ų13885%0.84677%0.765SS**  -168.3132.9113.8-105153.88400112.2
50H31.6Very low33.3Very low164 Ų164138.9 Ų138.976%0.75977%0.769SS**  trans-150.351.9148.8-155.4-65.8000111.3
51L30.4Very low33.4Very low164 Ų164133.6 Ų133.686%0.85976%0.758SS**  trans-112.5129.1153.8-83.1171.7000107
52Q36.8Very low33.6Very low158 Ų158136.5 Ų136.574%0.73876%0.762SS**  trans-93.1138.2-174.4-69170-5400110.6
53S36.1Very low33.7Very low117 Ų117132.2 Ų132.282%0.81876%0.755SS**  trans71.3156.9151.8-61.20000117.4
54P36.7Very low33.7Very low103 Ų103132.1 Ų132.167%0.66975%0.752SS**  trans-125.1-173.5-136.545-34.2000115.6
55D34.9Very low34Very low140 Ų140131.4 Ų131.475%0.74975%0.748SS**  trans7292.2151.4-58.4-31.6000120.6
56S36.9Very low34.2Very low106 Ų106134.3 Ų134.374%0.74175%0.754SS**  96.7150.6118.985.40000120.3
57S37.6Very low34.3Very low98 Ų98133.8 Ų133.869%0.68575%0.751SS**  trans76100.2149-47.40000120.3
58T34.6Very low34.4Very low133 Ų133136.4 Ų136.482%0.81676%0.757SS**  75.590.3122.4-48.30000120.4
59A36.2Very low34.8Very low81 Ų81132.5 Ų132.567%0.66975%0.754SS**  73.6143.7124.200000123.4
60T34.4Very low35.3Very low127 Ų127129.7 Ų129.778%0.77975%0.751SS**  trans68.4109.5149.239.50000121.7
61S35.2Very low35.4Very low102 Ų102126.4 Ų126.471%0.71375%0.746SS**  88.3116.4121.2-62.90000121.6
62R35.1Very low35.8Very low230 Ų230124.7 Ų124.787%0.86874%0.742SS**  trans69.797134.1-69.5-174.7174.6174.1-1.2119.8
63S32.6Very low35.7Very low96 Ų96123 Ų12367%0.67175%0.748SS**  81.6135.7112.470.60000121.9
64V37.1Very low35.9Very low127 Ų127120 Ų12077%0.7774%0.736SS**  trans71.8139152.4-64.10000122.1
65N33.9Very low36Very low132 Ų132122 Ų12271%0.70675%0.747SS**  trans95.6116.9143.6-74.1-12.8000122.3
66L37.5Very low36.2Very low130 Ų130119.5 Ų119.568%0.68174%0.74SS**  71.6111.7125.5-61.1167.6000120.6
67D31.3Very low36.4Very low129 Ų129120.7 Ų120.769%0.6974%0.738SS**  71.7148.4124.1-60.8-6.4000123.5
68N31.6Very low36.5Very low154 Ų154121.7 Ų121.782%0.82474%0.736SS**  trans77.2118.6156-64.8-35.2000121.2
69S38.1Very low36.6Very low111 Ų111124.1 Ų124.178%0.77674%0.735SS**  trans-61.7169.6151-23.80000111.4
70P42.4Very low36.6Very low121 Ų121124 Ų12479%0.78673%0.729SS**  -133.3-139.652.932.2-6.8000111.5
71S34.2Very low36.7Very low95 Ų95125.6 Ų125.666%0.66473%0.733SS**  cis-163.5148.16.19.80000113.8
72V37.8Very low36.5Very low128 Ų128123.5 Ų123.578%0.77673%0.727SS**  trans36.9121.7130.5-1670000118.2
73S36.6Very low36.5Very low122 Ų122120.3 Ų120.385%0.85373%0.726SS**  -173.4153.290.9-64.10000111.1
74G39.1Very low36.7Very low56 Ų56123.5 Ų123.558%0.57773%0.731SS**  cis168.8177.5-4.900000112.3
75T38.7Very low36.6Very low145 Ų145122.3 Ų122.389%0.8973%0.728SS**  trans63.6142.5164.948.60000119.7
76S40.4Very low36.8Very low87 Ų87121.5 Ų121.561%0.60873%0.728SS**  cis-164.4164.9-6.652.90000113.2
77N40.1Very low36.7Very low131 Ų131121.7 Ų121.770%0.70173%0.734SS**  trans72.3139.3157.3-55.7-20.5000118.6
78N40.6Very low37.1Very low119 Ų119120.7 Ų120.764%0.63674%0.735SS**  cis-160.1139.8-8.5-111.3-12000112.6
79F36Very low37.2Very low184 Ų184121 Ų12181%0.80774%0.736SS**  trans54.8148.8140.4-81.8-120.9000121.8
80S36.9Very low37Very low77 Ų77121.3 Ų121.354%0.53873%0.733SS.*  cis-176.2149.9-20.4-109.90000112.2
81L35.7Very low36.7Very low162 Ų162121 Ų12185%0.84873%0.734SS**  trans60151.6149.9-57.6165.8000119.7
82G29.9Very low36.6Very low58 Ų58124.9 Ų124.960%0.59874%0.742SS**  cis129.9133.9-11.500000114.9
83L36.9Very low36.6Very low162 Ų162127.7 Ų127.785%0.84875%0.746SS**  trans72.4157.6174.5-40.8170.6000114.1
84Q35.7Very low36.5Very low164 Ų164126.8 Ų126.877%0.76674%0.74SS**  cis-142.2159.19.7-64.5173.53.300112.1
85S35.9Very low36.5Very low102 Ų102131.6 Ų131.671%0.71375%0.751SS**  trans61.3156.6146.566.20000122.6
86T37.4Very low36.7Very low115 Ų115129.6 Ų129.671%0.70674%0.74SS**  cis-162.7115-40.234.50000110.5
87T36.4Very low37.2Very low133 Ų133129.1 Ų129.182%0.81674%0.737SS**  trans64-178.8152.772.50000116.3
88P38.2Very low37.8Very low108 Ų108130.9 Ų130.970%0.70174%0.741SS**  -132.1156.6-100.536.6-17.6000116.2
89L35.1Very low38.4Very low160 Ų160130.3 Ų130.384%0.83874%0.742SS**  trans-178.2125140.4-100.6158.1000113.5
90T34Very low39.7Very low118 Ų118127.1 Ų127.172%0.72473%0.729SS**  trans23.4145.7148.550.80000124.5
91S35.9Very low41.3Very low114 Ų114126 Ų12680%0.79772%0.724SS**  trans77.8117.4174.775.10000115
92Q31.8Very low43.1Very low178 Ų178125.1 Ų125.183%0.83272%0.716SS**  cis78.871.541.7-64.2-792.900114.4
93H37.5Very low45.2Very low186 Ų186125.7 Ų125.786%0.86171%0.711SS**  trans-161156.3149.2-114.5-83.1000111.2
94S35.1Very low47.4Very low104 Ų104122.9 Ų122.973%0.72769%0.693SS**  trans76.1145.7-176.2-35.30000114.5
95I38.9Very low49.7Very low157 Ų157121.7 Ų121.781%0.80569%0.688SS**  cis-132.7112.97.9-56163.2000110.7
96P42.3Very low52Low102 Ų102123.1 Ų123.166%0.66268%0.683SS**  trans-133.583165.235.9-19000112
97S50.1Low54.4Low78 Ų78123.3 Ų123.355%0.54568%0.676SS.*  trans-139.4-47.5-175.2-48.70000115.6H100 A101S97-H100 PolarHBondContact O-N 3.33Å; S97-A101 PolarHBondContact O-N 2.93Å
98Q52.7Low56.9Low167 Ų167123 Ų12378%0.7867%0.665SS**Hα-helixtrans-70.5-40.8-172.3-70.6-176.9-10.700113.9H100 A101 Q102Q98-H100 VanDerWaalsContact C-N 3.26Å; Q98-H100 PolarHBondContact O-N 3.32Å; Q98-A101 PolarHBondContact O-N 3.46Å; Q98-Q102 PolarHBondContact O-N 3.42Å
99T54.2Low59.4Low108 Ų108123.5 Ų123.566%0.66366%0.661SS**Hα-helixtrans-63.5-33.7175.448.20000112.2S103T99-S103 WeakPolarHBondContact O-CB 3.48Å; T99-S103 PolarHBondContact O-N 3.11Å
100H62.2Low61.9Low117 Ų117120.9 Ų120.954%0.54264%0.644SS.*Hα-helixtrans-69.4-36.3178.7-133.3-61.1000112.1S97 Q98 S103 Q104S97-H100 PolarHBondContact O-N 3.33Å; Q98-H100 VanDerWaalsContact C-N 3.26Å; Q98-H100 PolarHBondContact O-N 3.32Å; H100-S103 PolarHBondContact O-N 3.42Å; H100-Q104 WeakPolarHBondContact O-CB 3.41Å; H100-Q104 WeakPolarHBondContact O-CG 3.46Å; H100-Q104 PolarHBondContact O-N 3.41Å
101A71.4Confident64.7Low53 Ų53120.7 Ų120.744%0.43864%0.635SS.*Hα-helixtrans-67.1-44.7175.900000112.5S97 Q98 S103 Q104 Q105S97-A101 PolarHBondContact O-N 2.93Å; Q98-A101 PolarHBondContact O-N 3.46Å; A101-S103 PolarHBondContact O-N 3.08Å; A101-Q104 PolarHBondContact O-N 3.38Å; A101-Q105 PolarHBondContact O-N 2.96Å
102Q73.4Confident67.4Low144 Ų144120.4 Ų120.467%0.67362%0.621SS**Hα-helixtrans-64.4-39.3174.7-72.6-174.8-18.900112.1Q98 Q105 H106Q98-Q102 PolarHBondContact O-N 3.42Å; Q102-Q105 PolarHBondContact O-N 3.02Å; Q102-H106 PolarHBondContact O-N 3.2Å
103S75Confident70.2Confident70 Ų70117.9 Ų117.949%0.4961%0.61SS.*Hα-helixtrans-62-43174.2-174.20000111.8T99 H100 A101 H106 Q107T99-S103 WeakPolarHBondContact O-CB 3.48Å; T99-S103 PolarHBondContact O-N 3.11Å; H100-S103 PolarHBondContact O-N 3.42Å; A101-S103 PolarHBondContact O-N 3.08Å; S103-H106 PolarHBondContact O-N 2.83Å; S103-Q107 WeakPolarHBondContact O-CB 3.48Å; S103-Q107 PolarHBondContact O-N 2.94Å
104Q83.2Confident72.8Confident102 Ų102112.4 Ų112.448%0.47759%0.586SS.*Hα-helixtrans-63.5-43174.8-77.9175.6-8.400112.7H100 A101 H106 Q107 Q108H100-Q104 WeakPolarHBondContact O-CB 3.41Å; H100-Q104 WeakPolarHBondContact O-CG 3.46Å; H100-Q104 PolarHBondContact O-N 3.41Å; A101-Q104 PolarHBondContact O-N 3.38Å; Q104-H106 PolarHBondContact O-N 3.09Å; Q104-Q107 PolarHBondContact O-N 3.48Å; Q104-Q108 WeakPolarHBondContact O-CG 3.46Å; Q104-Q108 PolarHBondContact O-N 3.15Å
105Q82.6Confident75.5Confident139 Ų139113.6 Ų113.665%0.6558%0.58SS**Hα-helixtrans-60-44173.9-89.5-166.5-34.400112A101 Q102 Q107 Q108 L109A101-Q105 PolarHBondContact O-N 2.96Å; Q102-Q105 PolarHBondContact O-N 3.02Å; Q105-Q107 VanDerWaalsContact C-N 3.32Å; Q105-Q107 PolarHBondContact O-N 3.1Å; Q105-Q108 PolarHBondContact O-N 3.08Å; Q105-L109 WeakPolarHBondContact O-CB 3.44Å; Q105-L109 PolarHBondContact O-N 3.37Å
106H84Confident78Confident133 Ų133109.4 Ų109.462%0.61656%0.559SS**Hα-helixtrans-64.6-38.1177.4-16288.6000111.8Q102 S103 Q104 L109 H110Q102-H106 PolarHBondContact O-N 3.2Å; S103-H106 PolarHBondContact O-N 2.83Å; Q104-H106 PolarHBondContact O-N 3.09Å; H106-L109 PolarHBondContact O-N 3.31Å; H106-H110 WeakPolarHBondContact O-CB 3.4Å; H106-H110 PolarHBondContact O-N 3.06Å
107Q88.9Confident80.4Confident118 Ų118110.3 Ų110.355%0.55155%0.554SS**Hα-helixtrans-69.2-32.4175.6-166.9177.912.300112.9S103 Q104 Q105 Q111S103-Q107 WeakPolarHBondContact O-CB 3.48Å; S103-Q107 PolarHBondContact O-N 2.94Å; Q104-Q107 PolarHBondContact O-N 3.48Å; Q105-Q107 VanDerWaalsContact C-N 3.32Å; Q105-Q107 PolarHBondContact O-N 3.1Å; Q107-Q111 WeakPolarHBondContact O-CB 3.17Å; Q107-Q111 WeakPolarHBondContact O-CG 3.34Å; Q107-Q111 PolarHBondContact O-N 3.39Å; Q107-Q111 VanDerWaalsContact O-N 3.11Å; Q107-Q111 PolarHBondContact O-NE2 3.04Å; Q107-Q111 VanDerWaalsContact O-NE2 3.13Å
108Q89.4Confident82.4Confident126 Ų126112.4 Ų112.459%0.58956%0.555SS**Hα-helixtrans-69.7-46.6171.6-74.7176.2-1.800111.4Q104 Q105 H110 Q111 H112Q104-Q108 WeakPolarHBondContact O-CG 3.46Å; Q104-Q108 PolarHBondContact O-N 3.15Å; Q105-Q108 PolarHBondContact O-N 3.08Å; Q108-H110 VanDerWaalsContact C-N 3.31Å; Q108-H110 PolarHBondContact O-N 3.44Å; Q108-Q111 PolarHBondContact O-N 2.95Å; Q108-H112 PolarHBondContact O-N 3.1Å
109L89.6Confident84.3Confident120 Ų120110.2 Ų110.263%0.62855%0.545SS*.Hα-helixtrans-58.5-43.6176.3-167.794.7000111.4Q105 H106 H112 Q113Q105-L109 WeakPolarHBondContact O-CB 3.44Å; Q105-L109 PolarHBondContact O-N 3.37Å; H106-L109 PolarHBondContact O-N 3.31Å; L109-H112 PolarHBondContact O-N 3.44Å; L109-Q113 PolarHBondContact O-N 3.35Å
110H88.7Confident86.2Confident104 Ų104110.4 Ų110.448%0.48154%0.538SS..Hα-helixtrans-65.9-41.4178.1-169.358.5000112.3H106 Q108 Q113 I114H106-H110 WeakPolarHBondContact O-CB 3.4Å; H106-H110 PolarHBondContact O-N 3.06Å; Q108-H110 VanDerWaalsContact C-N 3.31Å; Q108-H110 PolarHBondContact O-N 3.44Å; H110-Q113 PolarHBondContact O-N 3.17Å; H110-I114 WeakPolarHBondContact O-CG1 3.37Å; H110-I114 PolarHBondContact O-N 2.86Å
111Q91.6Very high87.5Confident115 Ų115111.1 Ų111.154%0.53754%0.542SS..Hα-helixtrans-63.2-40.5173-78.417699.900112.4Q107 Q108 I114 Q115Q107-Q111 WeakPolarHBondContact O-CB 3.17Å; Q107-Q111 WeakPolarHBondContact O-CG 3.34Å; Q107-Q111 PolarHBondContact O-N 3.39Å; Q107-Q111 VanDerWaalsContact O-N 3.11Å; Q107-Q111 PolarHBondContact O-NE2 3.04Å; Q107-Q111 VanDerWaalsContact O-NE2 3.13Å; Q108-Q111 PolarHBondContact O-N 2.95Å; Q111-I114 PolarHBondContact O-N 3.4Å; Q111-Q115 WeakPolarHBondContact O-CB 3.48Å; Q111-Q115 PolarHBondContact O-N 2.77Å
112H92.4Very high88.6Confident107 Ų107113.6 Ų113.650%0.49554%0.544SS..Hα-helixtrans-64-40.7176-172.365.4000112Q108 L109 Q115 L116Q108-H112 PolarHBondContact O-N 3.1Å; L109-H112 PolarHBondContact O-N 3.44Å; H112-Q115 PolarHBondContact O-N 3.34Å; H112-L116 WeakPolarHBondContact O-CG 3.47Å; H112-L116 PolarHBondContact O-N 3.2Å
113Q91.7Very high89.5Confident126 Ų126112.4 Ų112.459%0.58954%0.539SS*.Hα-helixtrans-63-40.5173.8-175.2175.569.800112.3L109 H110 Q117L109-Q113 PolarHBondContact O-N 3.35Å; H110-Q113 PolarHBondContact O-N 3.17Å; Q113-Q117 WeakPolarHBondContact O-CB 3.4Å; Q113-Q117 PolarHBondContact O-N 3.23Å
114I92Very high90.3Very high70 Ų70114.8 Ų114.836%0.35954%0.542SS..Hα-helixtrans-62.9-43.4173.2-70.1164.6000110.8H110 Q111 Q117 Q118H110-I114 WeakPolarHBondContact O-CG1 3.37Å; H110-I114 PolarHBondContact O-N 2.86Å; Q111-I114 PolarHBondContact O-N 3.4Å; I114-Q117 PolarHBondContact O-N 3.12Å; I114-Q118 HydrophobicContact CG2-CG 4.49Å; I114-Q118 WeakPolarHBondContact O-CG 3.4Å; I114-Q118 PolarHBondContact O-N 3.4Å
115Q91.8Very high90.7Very high129 Ų129115.8 Ų115.860%0.60355%0.546SS*.Hα-helixtrans-64.5-42.1179.6-167.8177.212.400112.1Q111 H112 Q118 Q119Q111-Q115 WeakPolarHBondContact O-CB 3.48Å; Q111-Q115 PolarHBondContact O-N 2.77Å; H112-Q115 PolarHBondContact O-N 3.34Å; Q115-Q118 PolarHBondContact O-N 2.93Å; Q115-Q119 WeakPolarHBondContact O-CB 3.44Å; Q115-Q119 PolarHBondContact O-N 3.16Å
116L92.1Very high91.3Very high69 Ų69112.9 Ų112.936%0.36154%0.535SS..Hα-helixtrans-60.4-43.1171.7-77166.2000111.9H112 Q119 Q120H112-L116 WeakPolarHBondContact O-CG 3.47Å; H112-L116 PolarHBondContact O-N 3.2Å; L116-Q119 PolarHBondContact O-N 3.15Å; L116-Q120 WeakPolarHBondContact O-CG 3.39Å; L116-Q120 PolarHBondContact O-N 3.36Å
117Q91.7Very high91.7Very high122 Ų122111 Ų11157%0.5753%0.526SS*.Hα-helixtrans-67.1-37.9178.3-175.4161.188.800112.4Q113 I114 Q120 Q121Q113-Q117 WeakPolarHBondContact O-CB 3.4Å; Q113-Q117 PolarHBondContact O-N 3.23Å; I114-Q117 PolarHBondContact O-N 3.12Å; Q117-Q120 PolarHBondContact O-N 2.92Å; Q117-Q121 WeakPolarHBondContact O-CG 3.35Å; Q117-Q121 PolarHBondContact O-N 3.21Å
118Q93Very high91.9Very high121 Ų121109.1 Ų109.157%0.56552%0.52SS*.Hα-helixtrans-64.4-41.6171.7-71.5178.720.600111.7I114 Q115 Q120 Q121 H122I114-Q118 HydrophobicContact CG2-CG 4.49Å; I114-Q118 WeakPolarHBondContact O-CG 3.4Å; I114-Q118 PolarHBondContact O-N 3.4Å; Q115-Q118 PolarHBondContact O-N 2.93Å; Q118-Q120 PolarHBondContact O-N 3.26Å; Q118-Q121 PolarHBondContact O-N 3.01Å; Q118-H122 WeakPolarHBondContact O-CB 3.48Å; Q118-H122 PolarHBondContact O-N 2.94Å
119Q92.8Very high92.1Very high121 Ų121109.3 Ų109.357%0.56552%0.521SS*.Hα-helixtrans-61.5-43.6176.1-170.4-176.549.900111.7Q115 L116 H122 Q123Q115-Q119 WeakPolarHBondContact O-CB 3.44Å; Q115-Q119 PolarHBondContact O-N 3.16Å; L116-Q119 PolarHBondContact O-N 3.15Å; Q119-H122 PolarHBondContact O-N 3.48Å; Q119-Q123 WeakPolarHBondContact O-CG 3.48Å; Q119-Q123 PolarHBondContact O-N 3.02Å
120Q92.3Very high92.2Very high113 Ų113110 Ų11053%0.52852%0.521SS..Hα-helixtrans-63-42.1174.9-72.8179.6-0.100112.3L116 Q117 Q118 Q123 H124L116-Q120 WeakPolarHBondContact O-CG 3.39Å; L116-Q120 PolarHBondContact O-N 3.36Å; Q117-Q120 PolarHBondContact O-N 2.92Å; Q118-Q120 PolarHBondContact O-N 3.26Å; Q120-Q123 PolarHBondContact O-N 2.97Å; Q120-H124 WeakPolarHBondContact O-CB 3.49Å; Q120-H124 PolarHBondContact O-N 3.31Å
121Q91Very high92.3Very high131 Ų131109.8 Ų109.861%0.61252%0.52SS*.Hα-helixtrans-64.6-38.6175.4-75.1-173.9-4.900112.4Q117 Q118 H124 Q125Q117-Q121 WeakPolarHBondContact O-CG 3.35Å; Q117-Q121 PolarHBondContact O-N 3.21Å; Q118-Q121 PolarHBondContact O-N 3.01Å; Q121-H124 PolarHBondContact O-N 3.26Å; Q121-Q125 WeakPolarHBondContact O-CB 3.37Å; Q121-Q125 PolarHBondContact O-N 2.86Å
122H93.4Very high92.3Very high105 Ų105107.9 Ų107.949%0.48651%0.513SS..Hα-helixtrans-67.5-41.6176.6-17355000112.3Q118 Q119 H124 Q125 L126Q118-H122 WeakPolarHBondContact O-CB 3.48Å; Q118-H122 PolarHBondContact O-N 2.94Å; Q119-H122 PolarHBondContact O-N 3.48Å; H122-H124 PolarHBondContact O-N 3.38Å; H122-Q125 WeakPolarHBondContact O-CB 3.48Å; H122-Q125 PolarHBondContact O-N 3.36Å; H122-L126 WeakPolarHBondContact O-CG 3.38Å; H122-L126 PolarHBondContact O-N 2.84Å
123Q92.1Very high92.2Very high120 Ų120108.2 Ų108.256%0.56151%0.514SS*.Hα-helixtrans-61-42.8172.7-73.2-67.8-17.900112Q119 Q120 L126 Q127Q119-Q123 WeakPolarHBondContact O-CG 3.48Å; Q119-Q123 PolarHBondContact O-N 3.02Å; Q120-Q123 PolarHBondContact O-N 2.97Å; Q123-L126 PolarHBondContact O-N 2.77Å; Q123-Q127 PolarHBondContact O-N 3.28Å
124H91.9Very high92.2Very high119 Ų119106.7 Ų106.755%0.55151%0.51SS*.Hα-helixtrans-65.3-38.2175.4-173.959.1000112.5Q120 Q121 H122 Q127 L128Q120-H124 WeakPolarHBondContact O-CB 3.49Å; Q120-H124 PolarHBondContact O-N 3.31Å; Q121-H124 PolarHBondContact O-N 3.26Å; H122-H124 PolarHBondContact O-N 3.38Å; H124-Q127 PolarHBondContact O-N 3.03Å; H124-L128 WeakPolarHBondContact O-CB 3.35Å; H124-L128 PolarHBondContact O-N 3.16Å
125Q92.9Very high92.1Very high123 Ų123109.8 Ų109.858%0.57552%0.523SS*.Hα-helixtrans-63.6-42.6174.5-177.3179.551.900112.2Q121 H122 L128 Q129Q121-Q125 WeakPolarHBondContact O-CB 3.37Å; Q121-Q125 PolarHBondContact O-N 2.86Å; H122-Q125 WeakPolarHBondContact O-CB 3.48Å; H122-Q125 PolarHBondContact O-N 3.36Å; Q125-L128 PolarHBondContact O-N 3.49Å; Q125-Q129 WeakPolarHBondContact O-CB 3.48Å; Q125-Q129 PolarHBondContact O-N 3.03Å
126L94.2Very high92.1Very high78 Ų78109.3 Ų109.341%0.40852%0.521SS..Hα-helixtrans-61.4-46174.1-77.9161.7000111.6H122 Q123 L128 Q129 Q130H122-L126 WeakPolarHBondContact O-CG 3.38Å; H122-L126 PolarHBondContact O-N 2.84Å; Q123-L126 PolarHBondContact O-N 2.77Å; L126-L128 PolarHBondContact O-N 2.96Å; L126-Q129 PolarHBondContact O-N 3.41Å; L126-Q130 WeakPolarHBondContact O-CB 3.35Å; L126-Q130 PolarHBondContact O-N 3.32Å
127Q92.6Very high92.1Very high93 Ų93110.9 Ų110.944%0.43553%0.526SS..Hα-helixtrans-61.1-43.9177.2-169.1179.427.400111.8Q123 H124 Q130 Q131Q123-Q127 PolarHBondContact O-N 3.28Å; H124-Q127 PolarHBondContact O-N 3.03Å; Q127-Q130 PolarHBondContact O-N 3.14Å; Q127-Q131 PolarHBondContact O-N 3.31Å
128L92.3Very high92Very high80 Ų80108.7 Ų108.742%0.41952%0.516SS..Hα-helixtrans-66-41.3177.1-176.363.8000112H124 Q125 L126 Q131 I132H124-L128 WeakPolarHBondContact O-CB 3.35Å; H124-L128 PolarHBondContact O-N 3.16Å; Q125-L128 PolarHBondContact O-N 3.49Å; L126-L128 PolarHBondContact O-N 2.96Å; L128-Q131 PolarHBondContact O-N 3.24Å; L128-I132 HydrophobicContact CD1-CD1 4.42Å; L128-I132 HydrophobicContact CG-CD1 4.06Å; L128-I132 VanDerWaalsContact O-CG1 3.31Å; L128-I132 WeakPolarHBondContact O-CG1 3.27Å; L128-I132 PolarHBondContact O-N 3.37Å
129Q93.3Very high91.9Very high130 Ų130108 Ų10861%0.60751%0.511SS*.Hα-helixtrans-63.7-41.3176.5-175.9169.593.200111.6Q125 L126 I132 Q133Q125-Q129 WeakPolarHBondContact O-CB 3.48Å; Q125-Q129 PolarHBondContact O-N 3.03Å; L126-Q129 PolarHBondContact O-N 3.41Å; Q129-I132 PolarHBondContact O-N 3.12Å; Q129-Q133 WeakPolarHBondContact O-CB 3.49Å; Q129-Q133 PolarHBondContact O-N 2.96Å
130Q93.5Very high91.8Very high133 Ų133110.5 Ų110.562%0.62152%0.515SS*.Hα-helixtrans-63.2-41.6173.5-173178.590.900111.7L126 Q127 Q133 L134L126-Q130 WeakPolarHBondContact O-CB 3.35Å; L126-Q130 PolarHBondContact O-N 3.32Å; Q127-Q130 PolarHBondContact O-N 3.14Å; Q130-Q133 PolarHBondContact O-N 3.38Å; Q130-L134 PolarHBondContact O-N 3.39Å
131Q90.1Very high91.7Very high101 Ų101111.3 Ų111.347%0.47252%0.519SS..Hα-helixtrans-62.8-42.7176.2-168.2179.836.800112.1Q127 L128 L134 Q135Q127-Q131 PolarHBondContact O-N 3.31Å; L128-Q131 PolarHBondContact O-N 3.24Å; Q131-L134 PolarHBondContact O-N 3.5Å; Q131-Q135 WeakPolarHBondContact O-CB 3.33Å; Q131-Q135 PolarHBondContact O-N 3.47Å
132I90.3Very high91.6Very high74 Ų74108.9 Ų108.938%0.37951%0.508SS..Hα-helixtrans-63.1-43.2174.9-69.7165000110.7L128 Q129 L134 Q135 Q136L128-I132 HydrophobicContact CD1-CD1 4.42Å; L128-I132 HydrophobicContact CG-CD1 4.06Å; L128-I132 VanDerWaalsContact O-CG1 3.31Å; L128-I132 WeakPolarHBondContact O-CG1 3.27Å; L128-I132 PolarHBondContact O-N 3.37Å; Q129-I132 PolarHBondContact O-N 3.12Å; I132-L134 PolarHBondContact O-N 2.92Å; I132-Q135 PolarHBondContact O-N 3.33Å; I132-Q136 WeakPolarHBondContact O-CG 3.46Å; I132-Q136 PolarHBondContact O-N 3.38Å
133Q91.6Very high91.4Very high114 Ų114109 Ų10953%0.53351%0.508SS..Hα-helixtrans-62.6-41.6177.2-168.6179.12000111.8Q129 Q130 Q136 Q137Q129-Q133 WeakPolarHBondContact O-CB 3.49Å; Q129-Q133 PolarHBondContact O-N 2.96Å; Q130-Q133 PolarHBondContact O-N 3.38Å; Q133-Q136 PolarHBondContact O-N 3.27Å; Q133-Q137 WeakPolarHBondContact O-CG 3.11Å; Q133-Q137 PolarHBondContact O-N 3.31Å
134L91Very high91.3Very high95 Ų95108.6 Ų108.650%0.49751%0.51SS..Hα-helixtrans-63-42.8175.5-142.587000111.6Q130 Q131 I132 Q137 Q138Q130-L134 PolarHBondContact O-N 3.39Å; Q131-L134 PolarHBondContact O-N 3.5Å; I132-L134 PolarHBondContact O-N 2.92Å; L134-Q137 PolarHBondContact O-N 3.31Å; L134-Q138 WeakPolarHBondContact O-CG 3.14Å; L134-Q138 PolarHBondContact O-N 3.01Å
135Q89.6Confident91.1Very high134 Ų134108.8 Ų108.863%0.62651%0.511SS*.Hα-helixtrans-64.2-39.9176.8-175.3175.574.100112Q131 I132 Q138 F139Q131-Q135 WeakPolarHBondContact O-CB 3.33Å; Q131-Q135 PolarHBondContact O-N 3.47Å; I132-Q135 PolarHBondContact O-N 3.33Å; Q135-Q138 PolarHBondContact O-N 3.43Å; Q135-F139 WeakPolarHBondContact O-CB 3.33Å; Q135-F139 PolarHBondContact O-N 3.3Å
136Q92Very high90.7Very high120 Ų120109 Ų10956%0.56151%0.512SS*.Hα-helixtrans-64.8-37.6173.4-71.7-177.629.300112.4I132 Q133 R140I132-Q136 WeakPolarHBondContact O-CG 3.46Å; I132-Q136 PolarHBondContact O-N 3.38Å; Q133-Q136 PolarHBondContact O-N 3.27Å; Q136-R140 WeakPolarHBondContact O-CB 3.36Å; Q136-R140 PolarHBondContact O-N 3.38Å
137Q92.1Very high90.4Very high102 Ų102110.3 Ų110.348%0.47752%0.516SS..Hα-helixtrans-64.9-45.1173.5-73.6-178.7-1.300111.8Q133 L134 F139 R140 Q141Q133-Q137 WeakPolarHBondContact O-CG 3.11Å; Q133-Q137 PolarHBondContact O-N 3.31Å; L134-Q137 PolarHBondContact O-N 3.31Å; Q137-F139 PolarHBondContact O-N 3.44Å; Q137-R140 PolarHBondContact O-N 3.07Å; Q137-Q141 WeakPolarHBondContact O-CG 3.44Å; Q137-Q141 PolarHBondContact O-N 3.23Å
138Q90.8Very high90.1Very high75 Ų75108.6 Ų108.635%0.3551%0.514SS..Hα-helixtrans-60.1-44.2174.9-73.2178.9-14.600112L134 Q135 Q141 Q142L134-Q138 WeakPolarHBondContact O-CG 3.14Å; L134-Q138 PolarHBondContact O-N 3.01Å; Q135-Q138 PolarHBondContact O-N 3.43Å; Q138-Q141 PolarHBondContact O-N 2.87Å; Q138-Q142 WeakPolarHBondContact O-CG 3.28Å; Q138-Q142 PolarHBondContact O-N 3.32Å
139F90.3Very high89.6Confident106 Ų106109 Ų10947%0.46552%0.516SS..Hα-helixtrans-63.5-41.8176.7-174.4-107000112Q135 Q137 Q141 Q142 Q143Q135-F139 WeakPolarHBondContact O-CB 3.33Å; Q135-F139 PolarHBondContact O-N 3.3Å; Q137-F139 PolarHBondContact O-N 3.44Å; F139-Q141 PolarHBondContact O-N 2.86Å; F139-Q142 PolarHBondContact O-N 3.16Å; F139-Q143 HydrophobicContact CD1-CG 4.41Å; F139-Q143 HydrophobicContact CE1-CG 4.11Å; F139-Q143 VanDerWaalsContact CE1-NE2 3.33Å; F139-Q143 HydrophobicContact CZ-CG 4.29Å; F139-Q143 WeakPolarHBondContact O-CG 3.44Å; F139-Q143 PolarHBondContact O-N 3.04Å
140R90Very high89.2Confident175 Ų175108.4 Ų108.466%0.6651%0.513SS*.Hα-helixtrans-62-41.4174-173.7-179.1-66.5-162.5-0.3112Q136 Q137 Q143 L144Q136-R140 WeakPolarHBondContact O-CB 3.36Å; Q136-R140 PolarHBondContact O-N 3.38Å; Q137-R140 PolarHBondContact O-N 3.07Å; R140-Q143 PolarHBondContact O-N 2.64Å; R140-L144 HydrophobicContact CG-CD1 4.22Å; R140-L144 WeakPolarHBondContact O-CG 3.41Å; R140-L144 PolarHBondContact O-N 3Å
141Q90.1Very high88.7Confident129 Ų129106.7 Ų106.760%0.60351%0.505SS*.Hα-helixtrans-63.3-43.4175.2-72.1178.925.300111.6Q137 Q138 F139 Q143 L144 Q145Q137-Q141 WeakPolarHBondContact O-CG 3.44Å; Q137-Q141 PolarHBondContact O-N 3.23Å; Q138-Q141 PolarHBondContact O-N 2.87Å; F139-Q141 PolarHBondContact O-N 2.86Å; Q141-Q143 PolarHBondContact O-N 3.5Å; Q141-L144 PolarHBondContact O-N 3.13Å; Q141-Q145 WeakPolarHBondContact O-CB 3.4Å; Q141-Q145 PolarHBondContact O-N 3.28Å
142Q89Confident88.2Confident81 Ų81107.2 Ų107.238%0.37951%0.508SS..Hα-helixtrans-61.8-41.7174.9-72176.412.500112.2Q138 F139 Q145 Q146Q138-Q142 WeakPolarHBondContact O-CG 3.28Å; Q138-Q142 PolarHBondContact O-N 3.32Å; F139-Q142 PolarHBondContact O-N 3.16Å; Q142-Q145 PolarHBondContact O-N 2.86Å; Q142-Q146 WeakPolarHBondContact O-CB 3.42Å; Q142-Q146 WeakPolarHBondContact O-CG 2.96Å; Q142-Q146 PolarHBondContact O-N 3.11Å
143Q89.7Confident87.5Confident106 Ų106106.4 Ų106.450%0.49551%0.512SS..Hα-helixtrans-62.9-44.1174.3-75.3-172.4-35.900112.4F139 R140 Q141 Q145 Q146 H147F139-Q143 HydrophobicContact CD1-CG 4.41Å; F139-Q143 HydrophobicContact CE1-CG 4.11Å; F139-Q143 VanDerWaalsContact CE1-NE2 3.33Å; F139-Q143 HydrophobicContact CZ-CG 4.29Å; F139-Q143 WeakPolarHBondContact O-CG 3.44Å; F139-Q143 PolarHBondContact O-N 3.04Å; R140-Q143 PolarHBondContact O-N 2.64Å; Q141-Q143 PolarHBondContact O-N 3.5Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.23Å; Q143-Q146 PolarHBondContact O-N 3.27Å; Q143-H147 WeakPolarHBondContact O-CB 3.44Å; Q143-H147 PolarHBondContact O-N 3.45Å
144L89.8Confident86.6Confident112 Ų112109.5 Ų109.559%0.58652%0.519SS*.Hα-helixtrans-62.9-40176.2-72.4169.4000111.8R140 Q141 H147 S148R140-L144 HydrophobicContact CG-CD1 4.22Å; R140-L144 WeakPolarHBondContact O-CG 3.41Å; R140-L144 PolarHBondContact O-N 3Å; Q141-L144 PolarHBondContact O-N 3.13Å; L144-H147 PolarHBondContact O-N 3.25Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 3.27Å
145Q87.5Confident85.6Confident123 Ų123112.2 Ų112.258%0.57553%0.533SS*.Hα-helixtrans-70.4-39.6178.6-162.716525.700112Q141 Q142 Q143 S148 L149Q141-Q145 WeakPolarHBondContact O-CB 3.4Å; Q141-Q145 PolarHBondContact O-N 3.28Å; Q142-Q145 PolarHBondContact O-N 2.86Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.23Å; Q145-S148 PolarHBondContact O-N 2.95Å; Q145-L149 WeakPolarHBondContact O-CG 3.47Å; Q145-L149 PolarHBondContact O-N 3.33Å
146Q84.9Confident84.3Confident129 Ų129110.3 Ų110.360%0.60353%0.534SS*.Hα-helixtrans-61.8-42.4170.2-73.5176.825.600111.9Q142 Q143 S148 L149 Q150Q142-Q146 WeakPolarHBondContact O-CB 3.42Å; Q142-Q146 WeakPolarHBondContact O-CG 2.96Å; Q142-Q146 PolarHBondContact O-N 3.11Å; Q143-Q146 PolarHBondContact O-N 3.27Å; Q146-S148 VanDerWaalsContact C-N 3.34Å; Q146-S148 PolarHBondContact O-N 3.46Å; Q146-L149 PolarHBondContact O-N 3.49Å; Q146-Q150 WeakPolarHBondContact O-CB 3.45Å; Q146-Q150 PolarHBondContact O-N 3.48Å
147H88.7Confident82.4Confident105 Ų105107.8 Ų107.849%0.48653%0.525SS..Hα-helixtrans-67.6-32.8177.6-170.6-118.9000112.6Q143 L144 Q151Q143-H147 WeakPolarHBondContact O-CB 3.44Å; Q143-H147 PolarHBondContact O-N 3.45Å; L144-H147 PolarHBondContact O-N 3.25Å; H147-Q151 PolarHBondContact CE1-NE2 3.47Å; H147-Q151 VanDerWaalsContact CE1-NE2 3.3Å; H147-Q151 PolarHBondContact ND1-NE2 2.91Å; H147-Q151 VanDerWaalsContact ND1-NE2 3.19Å; H147-Q151 WeakPolarHBondContact O-CG 3.39Å; H147-Q151 PolarHBondContact O-N 2.81Å; H147-Q151 PolarHBondContact O-NE2 3.47Å
148S84.9Confident80.7Confident56 Ų56107.7 Ų107.739%0.39253%0.533SS..Hα-helixtrans-66.4-48.9172.1-171.30000111.6L144 Q145 Q146 Q150 Q151 Q152L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 3.27Å; Q145-S148 PolarHBondContact O-N 2.95Å; Q146-S148 VanDerWaalsContact C-N 3.34Å; Q146-S148 PolarHBondContact O-N 3.46Å; S148-Q150 VanDerWaalsContact C-N 3.29Å; S148-Q150 PolarHBondContact O-N 2.9Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 VanDerWaalsContact O-N 3.17Å; S148-Q152 WeakPolarHBondContact O-CG 3.46Å; S148-Q152 PolarHBondContact O-N 3.48Å
149L83.6Confident78.9Confident90 Ų90107.9 Ų107.947%0.47154%0.542SS..Hα-helixtrans-59.9-39174.9-70.8167.1000111.9Q145 Q146 Q152 A153Q145-L149 WeakPolarHBondContact O-CG 3.47Å; Q145-L149 PolarHBondContact O-N 3.33Å; Q146-L149 PolarHBondContact O-N 3.49Å; L149-Q152 PolarHBondContact O-N 2.88Å; L149-A153 WeakPolarHBondContact O-CB 3.37Å; L149-A153 PolarHBondContact O-N 2.64Å
150Q83.1Confident77.1Confident117 Ų117108.9 Ų108.955%0.54755%0.549SS..Hα-helixtrans-73.3-27.8178.1-164.5170.752.200113.1Q146 S148 R154Q146-Q150 WeakPolarHBondContact O-CB 3.45Å; Q146-Q150 PolarHBondContact O-N 3.48Å; S148-Q150 VanDerWaalsContact C-N 3.29Å; S148-Q150 PolarHBondContact O-N 2.9Å; Q150-R154 WeakPolarHBondContact O-CG 3.37Å; Q150-R154 PolarHBondContact O-N 2.96Å
151Q83.1Confident75.2Confident96 Ų96104.5 Ų104.545%0.44954%0.543SS..Hα-helixtrans-70.1-45.1168.3-79.9174.88300111.5H147 S148 A153 R154 L155H147-Q151 PolarHBondContact CE1-NE2 3.47Å; H147-Q151 VanDerWaalsContact CE1-NE2 3.3Å; H147-Q151 PolarHBondContact ND1-NE2 2.91Å; H147-Q151 VanDerWaalsContact ND1-NE2 3.19Å; H147-Q151 WeakPolarHBondContact O-CG 3.39Å; H147-Q151 PolarHBondContact O-N 2.81Å; H147-Q151 PolarHBondContact O-NE2 3.47Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 VanDerWaalsContact O-N 3.17Å; Q151-A153 VanDerWaalsContact C-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.14Å; Q151-R154 PolarHBondContact O-N 3.06Å; Q151-R154 VanDerWaalsContact O-N 3.1Å; Q151-L155 WeakPolarHBondContact O-CG 3.38Å; Q151-L155 PolarHBondContact O-N 2.9Å
152Q81.3Confident73.5Confident113 Ų113105.3 Ų105.353%0.52855%0.546SS..Hα-helixtrans-56.8-44.7174.6-71.8174-20.200111.3S148 L149 R154 L155 S156S148-Q152 WeakPolarHBondContact O-CG 3.46Å; S148-Q152 PolarHBondContact O-N 3.48Å; L149-Q152 PolarHBondContact O-N 2.88Å; Q152-R154 VanDerWaalsContact C-N 3.31Å; Q152-R154 PolarHBondContact O-N 3.02Å; Q152-L155 PolarHBondContact O-N 3.33Å; Q152-L155 VanDerWaalsContact O-N 3.16Å; Q152-S156 PolarHBondContact O-N 2.67Å; Q152-S156 PolarHBondContact O-OG 2.8Å
153A75.2Confident72Confident56 Ų56107.6 Ų107.646%0.46356%0.557SS.*Hα-helixtrans-64.1-28.5176.500000114.5L149 Q151 S156L149-A153 WeakPolarHBondContact O-CB 3.37Å; L149-A153 PolarHBondContact O-N 2.64Å; Q151-A153 VanDerWaalsContact C-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.14Å; A153-S156 PolarHBondContact O-OG 2.91Å
154R71.2Confident70.2Confident180 Ų180109.2 Ų109.268%0.67957%0.565SS**Hα-helixtrans-73.9-40.5171.2-72.8177.2-165.3-105.17.2111.8Q150 Q151 Q152 S156 N157Q150-R154 WeakPolarHBondContact O-CG 3.37Å; Q150-R154 PolarHBondContact O-N 2.96Å; Q151-R154 PolarHBondContact O-N 3.06Å; Q151-R154 VanDerWaalsContact O-N 3.1Å; Q152-R154 VanDerWaalsContact C-N 3.31Å; Q152-R154 PolarHBondContact O-N 3.02Å; R154-S156 VanDerWaalsContact C-N 3.35Å; R154-N157 CarbonylContact O-C 3.39Å; R154-N157 PolarHBondContact O-N 3.26Å
155L70.9Confident68.9Low151 Ų151110.8 Ų110.879%0.79157%0.569SS**Hα-helixtrans-69-32.2-179.6-68.9170.5000112.4Q151 Q152 N157Q151-L155 WeakPolarHBondContact O-CG 3.38Å; Q151-L155 PolarHBondContact O-N 2.9Å; Q152-L155 PolarHBondContact O-N 3.33Å; Q152-L155 VanDerWaalsContact O-N 3.16Å; L155-N157 VanDerWaalsContact C-N 3.35Å
156S62.6Low67.8Low95 Ų95111.2 Ų111.266%0.66457%0.571SS**THydrogen-bonded Turntrans-81.5-5.4176.460.70000114.9Q152 A153 R154Q152-S156 PolarHBondContact O-N 2.67Å; Q152-S156 PolarHBondContact O-OG 2.8Å; A153-S156 PolarHBondContact O-OG 2.91Å; R154-S156 VanDerWaalsContact C-N 3.35Å
157N51.2Low66.9Low66 Ų66111.1 Ų111.135%0.35357%0.571SS.*  trans-141.973.8179.1-167.9-2.5000112.6R154 L155 S159R154-N157 CarbonylContact O-C 3.39Å; R154-N157 PolarHBondContact O-N 3.26Å; L155-N157 VanDerWaalsContact C-N 3.35Å; N157-S159 PolarHBondContact O-N 3.25Å
158P57.4Low65.7Low100 Ų100111.3 Ų111.365%0.64958%0.575SS**THydrogen-bonded Turntrans-66.7-15.1-178.427.8-35.9000114.2P161P158-P161 WeakPolarHBondContact O-CD 3.47Å
159S53.3Low65.1Low79 Ų79114.8 Ų114.855%0.55258%0.584SS**THydrogen-bonded Turntrans-77.9-24.1-174.1-49.10000114.1N157N157-S159 PolarHBondContact O-N 3.25Å
160Q51.4Low64.3Low128 Ų128116.6 Ų116.660%0.59859%0.591SS**Hα-helixtrans-70.3-39.5-169.2-148171.627.900116.3Q162 Q164Q160-Q162 PolarHBondContact O-N 3.35Å; Q160-Q164 PolarHBondContact O-N 2.94Å
161P51.6Low63.2Low82 Ų82117.7 Ų117.753%0.53260%0.595SS.*Hα-helixtrans-68.3-30.7-176.824.9-33.6000114P158 Q164 Q165P158-P161 WeakPolarHBondContact O-CD 3.47Å; P161-Q164 PolarHBondContact O-N 2.98Å; P161-Q165 PolarHBondContact O-N 3.35Å; P161-Q165 VanDerWaalsContact O-N 3.11Å
162Q53Low62Low146 Ų146119.2 Ų119.268%0.68261%0.606SS**Hα-helixtrans-65.1-46.4178.9-77.2-172.3-2500112.1Q160 Q164 Q165 Q166Q160-Q162 PolarHBondContact O-N 3.35Å; Q162-Q164 VanDerWaalsContact C-N 3.33Å; Q162-Q164 PolarHBondContact O-N 3.4Å; Q162-Q165 PolarHBondContact O-N 3.15Å; Q162-Q166 WeakPolarHBondContact O-CB 3.43Å; Q162-Q166 PolarHBondContact O-N 3.45Å
163Q57.2Low60.8Low129 Ų129120.9 Ų120.960%0.60361%0.614SS**Hα-helixtrans-61.4-40.6178.5-73.2-170.5-1600112.2Q166 Q167Q163-Q166 PolarHBondContact O-N 3.28Å; Q163-Q167 WeakPolarHBondContact O-CG 3.39Å; Q163-Q167 PolarHBondContact O-N 3.08Å
164Q52.5Low59.8Low140 Ų140128.3 Ų128.365%0.65463%0.63SS**Hα-helixtrans-69.2-35.6-179.8-166.8163.651.800112.3Q160 P161 Q162 L168Q160-Q164 PolarHBondContact O-N 2.94Å; P161-Q164 PolarHBondContact O-N 2.98Å; Q162-Q164 VanDerWaalsContact C-N 3.33Å; Q162-Q164 PolarHBondContact O-N 3.4Å; Q164-L168 WeakPolarHBondContact O-CB 3.21Å; Q164-L168 PolarHBondContact O-N 2.96Å; Q164-L168 VanDerWaalsContact O-N 3.1Å
165Q62.7Low58.1Low145 Ų145127.1 Ų127.168%0.67863%0.632SS**Hα-helixtrans-66.9-37.5172.7-164.8171.622.300111.9P161 Q162 L168 H169P161-Q165 PolarHBondContact O-N 3.35Å; P161-Q165 VanDerWaalsContact O-N 3.11Å; Q162-Q165 PolarHBondContact O-N 3.15Å; Q165-L168 PolarHBondContact O-N 3.28Å; Q165-H169 PolarHBondContact O-N 2.99Å; Q165-H169 VanDerWaalsContact O-N 3.09Å
166Q65.1Low56.6Low132 Ų132125.1 Ų125.162%0.61763%0.628SS**Hα-helixtrans-70.3-39.8178.6-158.6168.130.800112.4Q162 Q163 H169 Q170Q162-Q166 WeakPolarHBondContact O-CB 3.43Å; Q162-Q166 PolarHBondContact O-N 3.45Å; Q163-Q166 PolarHBondContact O-N 3.28Å; Q166-H169 PolarHBondContact O-N 3.48Å; Q166-Q170 PolarHBondContact O-N 3.33Å; Q166-Q170 VanDerWaalsContact O-N 3.15Å
167Q64.4Low55.7Low128 Ų128127.1 Ų127.160%0.59864%0.636SS**Hα-helixtrans-63.4-41.7172-74.6179.3-5.800112.3Q163 H169 Q170 H171Q163-Q167 WeakPolarHBondContact O-CG 3.39Å; Q163-Q167 PolarHBondContact O-N 3.08Å; Q167-H169 VanDerWaalsContact C-N 3.29Å; Q167-H169 PolarHBondContact O-N 3.32Å; Q167-Q170 PolarHBondContact O-N 3.13Å; Q167-H171 PolarHBondContact O-N 3.05Å
168L64.7Low55Low109 Ų109130.3 Ų130.357%0.57166%0.658SS**Hα-helixtrans-64.8-35.7177.9-167143.7000111.6Q164 Q165 H171 L172Q164-L168 WeakPolarHBondContact O-CB 3.21Å; Q164-L168 PolarHBondContact O-N 2.96Å; Q164-L168 VanDerWaalsContact O-N 3.1Å; Q165-L168 PolarHBondContact O-N 3.28Å; L168-H171 PolarHBondContact O-N 3.35Å; L168-L172 HydrophobicContact CD2-CD1 3.92Å; L168-L172 HydrophobicContact CG-CD1 4.38Å; L168-L172 WeakPolarHBondContact O-CD1 3.46Å; L168-L172 PolarHBondContact O-N 3.14Å
169H72.6Confident54.1Low128 Ų128131 Ų13159%0.59366%0.662SS**Hα-helixtrans-64.8-39.2173.8-142.6101.2000112.6Q165 Q166 Q167Q165-H169 PolarHBondContact O-N 2.99Å; Q165-H169 VanDerWaalsContact O-N 3.09Å; Q166-H169 PolarHBondContact O-N 3.48Å; Q167-H169 VanDerWaalsContact C-N 3.29Å; Q167-H169 PolarHBondContact O-N 3.32Å
170Q66.6Low53.1Low129 Ų129136.8 Ų136.860%0.60368%0.68SS**Hα-helixtrans-68.8-32.1174.4-70.2-177.63.300113Q166 Q167Q166-Q170 PolarHBondContact O-N 3.33Å; Q166-Q170 VanDerWaalsContact O-N 3.15Å; Q167-Q170 PolarHBondContact O-N 3.13Å
171H58.6Low52.2Low139 Ų139135.7 Ų135.764%0.64469%0.686SS**Hα-helixtrans-75.3-35.2-178.1-158.441.8000112.9Q167 L168 Q173 R174Q167-H171 PolarHBondContact O-N 3.05Å; L168-H171 PolarHBondContact O-N 3.35Å; H171-Q173 VanDerWaalsContact C-N 3.26Å; H171-Q173 PolarHBondContact O-N 2.87Å; H171-R174 PolarHBondContact O-N 3.1Å
172L59.4Low51.5Low128 Ų128140.3 Ų140.367%0.6770%0.701SS**Hα-helixtrans-64.1-28174.9-97.871.1000113.3L168 R174L168-L172 HydrophobicContact CD2-CD1 3.92Å; L168-L172 HydrophobicContact CG-CD1 4.38Å; L168-L172 WeakPolarHBondContact O-CD1 3.46Å; L168-L172 PolarHBondContact O-N 3.14Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.46Å
173Q56.3Low50.6Low149 Ų149141.4 Ų141.470%0.69671%0.706SS**THydrogen-bonded Turntrans-80.52.8-179.6-66.8-176.5-1.400114.3H171H171-Q173 VanDerWaalsContact C-N 3.26Å; H171-Q173 PolarHBondContact O-N 2.87Å
174R53.6Low49.5Very low212 Ų212143.5 Ų143.580%0.872%0.718SS**THydrogen-bonded Turntrans-117.222.8-174.4-77.8-171.6163.8-87.80.9115.6H171 L172 P176H171-R174 PolarHBondContact O-N 3.1Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.46Å; R174-P176 WeakPolarHBondContact O-CD 3.02Å
175Q35.9Very low48.7Very low154 Ų154144 Ų14472%0.7273%0.725SS**  trans-90.2115171.3-70.7-69.2-12.400111.2
176P39.4Very low47.7Very low110 Ų110142 Ų14271%0.71472%0.724SS**PPolyproline II helixtrans-81133.8177.532-33.3000112R174R174-P176 WeakPolarHBondContact O-CD 3.02Å
177V41.9Very low46.2Very low137 Ų137143.4 Ų143.483%0.8374%0.735SS**PPolyproline II helixtrans-86.4135.6175178.70000110.2
178V37.3Very low44.9Very low133 Ų133142.8 Ų142.881%0.80675%0.745SS**PPolyproline II helixtrans-102116.5177.1-177.60000110.1
179P38Very low43.6Very low113 Ų113140.9 Ų140.973%0.73475%0.751SS**PPolyproline II helixtrans-85.8150.1175.833.3-33000112.5
180Q33.8Very low41.9Very low202 Ų202142.4 Ų142.494%0.94476%0.762SS**PPolyproline II helixtrans-82.9160.3173.5-70-177.7-70.600112.3
181S30.7Very low40.3Very low104 Ų104140.7 Ų140.773%0.72776%0.764SS**PPolyproline II helixtrans-94.5138.6-176.447.20000113.9
182Q37.2Very low39.1Very low180 Ų180141.9 Ų141.984%0.84178%0.775SS**  trans-168.5138.2140.8-108.4146.5107.200114
183Q34.5Very low38Very low168 Ų168144.1 Ų144.179%0.78578%0.782SS**  trans39.8121.1154.5-67.9178.7-62.200123.2
184M34.1Very low36.7Very low173 Ų173142.4 Ų142.485%0.85278%0.781SS**  trans57.998.3131.8-56.6-56.3-169.800121.3
185N36.2Very low35.8Very low152 Ų152138.8 Ų138.881%0.81378%0.783SS**  0.6159.4124.1-85.7-2.5000119.9
186P41Very low35.8Very low101 Ų101136 Ų13666%0.65678%0.78SS**  cis-140.9-173-33.737.9-18.7000112.5
187I34.8Very low35.6Very low162 Ų162136.1 Ų136.183%0.83178%0.779SS**  trans168.5143.9130.2-86.9160000112.9
188S35.3Very low35.2Very low116 Ų116136.1 Ų136.181%0.81178%0.775SS**  trans-39.7153-178.8-43.90000121.5
189G38Very low35.2Very low68 Ų68136.8 Ų136.870%0.70178%0.779SS**  trans16173.416700000113.7
190I37.3Very low35.2Very low161 Ų161136.2 Ų136.283%0.82678%0.778SS**  89.1124.185.6-71.4167.1000114.6
191S32.8Very low35.4Very low93 Ų93135.5 Ų135.565%0.6577%0.774SS**  trans55.8122.6162.4-1560000119
192L34.5Very low35.5Very low164 Ų164135 Ų13586%0.85977%0.771SS**  cis78.3148.947.5-70.2172.6000116.2
193Q35.5Very low35.4Very low175 Ų175134.5 Ų134.582%0.81877%0.774SS**  trans86.5153.9177-59.6-176.2-4.900117
194T29.2Very low35.9Very low112 Ų112131.4 Ų131.469%0.68777%0.768SS**  -178.8173.4-5929.70000108.5
195T35Very low35.8Very low136 Ų136130.1 Ų130.183%0.83476%0.763SS**  trans70.5153.5165.966.60000118.2
196S35.5Very low35.8Very low95 Ų95129.3 Ų129.366%0.66476%0.763SS**  cis-169.3165.9-26.157.30000113.7
197T35.5Very low35.5Very low113 Ų113131 Ų13169%0.69377%0.766SS**  trans63.6122.9143.246.10000124.5
198N33.5Very low35.5Very low137 Ų137130.3 Ų130.373%0.73376%0.764SS**  trans53.4127.2130.9-67.3-22000123.3
199T37Very low35.6Very low147 Ų147129.6 Ų129.690%0.90276%0.755SS**  -156.3176.3108-0.20000111.6
200S37.1Very low35.6Very low101 Ų101133.5 Ų133.571%0.70677%0.765SS**  trans-135.1-168.3-158.5-45.90000113.2
201Q38.1Very low35.6Very low187 Ų187128.9 Ų128.987%0.87476%0.757SS**  trans91.9155167.9-54.6173.511.300117.4
202S34.3Very low35.7Very low95 Ų95134.9 Ų134.966%0.66477%0.772SS**  -175134.7-5746.60000114.1
203L35.3Very low35.8Very low169 Ų169130.4 Ų130.489%0.88577%0.766SS**  trans68.9162.5146.2-68.1174.3000120.6
204P43.1Very low36Very low102 Ų102129.9 Ų129.966%0.66277%0.765SS**  trans-138.9-149.6-146.839.7-16.2000115.7
205I32.7Very low36.3Very low147 Ų147132.6 Ų132.675%0.75477%0.77SS**  trans101.3131.1162.6-54.7160.4000116.9
206V36.6Very low36.4Very low134 Ų134131.1 Ų131.181%0.81277%0.765SS**  175.5153.3127.8154.60000109.8
207L35.2Very low36.3Very low137 Ų137132.4 Ų132.472%0.71777%0.774SS**  trans-105.4159.1-176.9-80.462.3000111.7
208D34.7Very low36.9Very low148 Ų148132.6 Ų132.679%0.79178%0.777SS**  176.4177.1125.3-99.5-35.1000113
209T37.6Very low37Very low100 Ų100132 Ų13261%0.61378%0.779SS**  -151163.3-83.229.30000111.2
210T38.1Very low36.9Very low151 Ų151131.2 Ų131.293%0.92677%0.768SS**  trans67.9157.6172.176.30000117.7
211G37.5Very low36.6Very low63 Ų63134.7 Ų134.765%0.64977%0.773SS**  cis174.2142.3-12.700000115.4
212F35Very low36.4Very low219 Ų219131.3 Ų131.396%0.96177%0.765SS**  trans54136.3155.6-73.2-88.5000124.7
213G35.9Very low36.4Very low71 Ų71132.7 Ų132.773%0.73277%0.77SS**  trans104.4149.8144.200000118.6
214M38.7Very low36.6Very low163 Ų163130.6 Ų130.680%0.80377%0.766SS**  cis-173.7135.7-39.8-110.1-75.7173.700109.9
215Q35.7Very low36.2Very low170 Ų170130.4 Ų130.479%0.79477%0.773SS**  trans74156.8154.5-57.1-177.627.100124.3
216S36.7Very low36.3Very low105 Ų105129.6 Ų129.673%0.73478%0.775SS**  trans69.185.715343.40000122.4
217S34.1Very low36.4Very low122 Ų122130.6 Ų130.685%0.85377%0.77SS**  33.4155.7109.1-60.30000123.9
218P48.9Very low36.2Very low117 Ų117130 Ų13076%0.7677%0.768SS**  trans-112.6178.3-157.343.6-35.5000115.9
219T34.9Very low36.1Very low124 Ų124129.8 Ų129.876%0.76176%0.762SS**  trans-160.7112.1164.5-88.40000115.2
220I35.8Very low36.1Very low131 Ų131133 Ų13367%0.67277%0.774SS**  66.6124.6125.1-63.5178.7000123.2
221Q30.4Very low35.7Very low173 Ų173131 Ų13181%0.80877%0.766SS**  trans62168.5150.4-71.2165.5-0.100118.1
222T33.8Very low35.8Very low116 Ų116133.5 Ų133.571%0.71277%0.771SS**  cis-164.2163.5-5.413.50000107.1
223T34.3Very low35.7Very low125 Ų125135 Ų13577%0.76777%0.771SS**  cis-158.6162.7-2.1-0.20000108.5
224P38.4Very low35.5Very low125 Ų125137.2 Ų137.281%0.81277%0.771SS**  trans-92.5148.1-179.735.8-33.8000114.9
225A35.7Very low35.3Very low97 Ų97134.6 Ų134.680%0.80277%0.768SS**  trans-153.7123.6172.400000116.2
226V34.9Very low35.3Very low130 Ų130133.6 Ų133.679%0.78877%0.767SS**  trans40.1103.8134.6-166.90000121.9
227H37.6Very low35.4Very low156 Ų156135.9 Ų135.972%0.72277%0.77SS**  178.9122.3113.8-125.779.2000107.4
228N32.2Very low35.4Very low123 Ų123136.6 Ų136.666%0.65876%0.764SS**  cis79.6139.647.1-16634000114.2
229Q32Very low34.8Very low145 Ų145136.7 Ų136.768%0.67876%0.762SS**  trans87.8144.7172.4-56.8-82.925.200120.4
230L37Very low34.9Very low166 Ų166136.2 Ų136.287%0.86976%0.759SS**  trans76.3112.6154.3-67148.5000121.6
231S29.6Very low35Very low109 Ų109137.3 Ų137.376%0.76277%0.767SS**  trans-105.4-176.4156.1-60.60000109
232P40.6Very low35Very low116 Ų116138 Ų13875%0.75377%0.767SS**  -131.9143.5-56.734.9-20.3000112.7
233R32.9Very low35.7Very low250 Ų250137.5 Ų137.594%0.94377%0.766SS**  trans-162.9164.8152.9-122.6164.8170.4154.4-4.6115.4
234T30.8Very low35.6Very low119 Ų119135.3 Ų135.373%0.7376%0.756SS**  trans-81.5175.1-167.748.40000115.7
235S34.9Very low35.5Very low108 Ų108139 Ų13976%0.75576%0.76SS**  trans87.4143.7165.7-37.50000113.6
236I36.6Very low35.6Very low149 Ų149138.8 Ų138.876%0.76476%0.758SS**  cis-140.3152.215.4-73.8-178.6000110.9
237L37.6Very low35.3Very low153 Ų153139.7 Ų139.780%0.80176%0.764SS**  trans5.4159.9155-48.8168.9000120.8
238N35.1Very low35.3Very low136 Ų136136.5 Ų136.573%0.72777%0.765SS**  cis-159.7165.611.2-138.9-1000107.7
239V35.8Very low35.4Very low120 Ų120137.3 Ų137.373%0.72777%0.774SS**  -170.2140.565.2166.40000111
240T37.8Very low35.4Very low113 Ų113136.4 Ų136.469%0.69378%0.779SS**  trans-1.2130.2167.163.30000124.3
241N36.5Very low35.5Very low155 Ų155133.8 Ų133.883%0.82977%0.772SS**  -162142.3104-120.9-54.5000111.8
242F31Very low35.5Very low186 Ų186134.4 Ų134.482%0.81677%0.77SS**  trans-165161.1-169.3-116.8-64.6000114.2
243P49.1Very low35Very low106 Ų106137.2 Ų137.269%0.68877%0.771SS**  -138.2150.9120.241-30.8000112.6
244S32.5Very low35.1Very low80 Ų80132.4 Ų132.456%0.55976%0.759SS**  cis73.7140.234.6-46.10000112.1
245F35.4Very low35Very low202 Ų202133.4 Ų133.489%0.88675%0.753SS**  cis-145.5172.511.8-79.1-74.4000108.6
246A37.1Very low34.8Very low93 Ų93137.9 Ų137.977%0.76975%0.754SS**  cis-162.8175.8-10.800000108.8
247T29.5Very low34.5Very low148 Ų148138.6 Ų138.691%0.90875%0.751SS**  trans-139.5135.9178.8-56.60000111.4
248A37.2Very low34.1Very low90 Ų90136.6 Ų136.674%0.74475%0.75SS**  trans-155.8109.3175.800000115.8
249T34.3Very low33.7Very low139 Ų139138.4 Ų138.485%0.85375%0.751SS**  trans52.3156.3133.617.40000126.2
250T31.9Very low33.4Very low127 Ų127138 Ų13878%0.77975%0.749SS**  trans-85.2177.4-177.250.10000112.5
251P39.7Very low33Very low110 Ų110138.2 Ų138.271%0.71475%0.751SS**  cis-154167.326.846.7-25.1000121.7
252V29.4Very low32.7Very low122 Ų122135.6 Ų135.674%0.73975%0.745SS**  trans43.3131.9132.1-178.60000122.8
253K30Very low33.1Very low175 Ų175136.1 Ų136.176%0.76175%0.746SS**  trans84140.3152.3-90.5167-169.8169.40120.8
254Q34.4Very low32.1Very low149 Ų149138.6 Ų138.670%0.69675%0.746SS**  trans72.8148.6146.5-78.4-166.7100.900118
255K30.2Very low32.2Very low141 Ų141140.1 Ų140.161%0.61375%0.754SS**  cis-169.6149.5-21.5-140.7-171.2-158.2146.10107.6
256R30.8Very low31.9Very low201 Ų201137 Ų13776%0.75874%0.742SS**  trans61.8170.6160.1-65.9175.5169.8176-5113.9
257K28.5Very low31.6Very low165 Ų165138 Ų13872%0.71774%0.739SS**  cis-152.2129.9-28.9-119.2179.3172.8-170.50107.4
258S29.1Very low31.7Very low110 Ų110138 Ų13877%0.76973%0.729SS**  trans57.9-161.2147.8-44.80000112.8
259K27.9Very low31.1Very low174 Ų174138.9 Ų138.976%0.75773%0.725SS**  cis-150.8146.7-15.6-154.5-168.9-179.6-173.30106.8
260T28.5Very low31Very low111 Ų111137.5 Ų137.568%0.68172%0.716SS**  trans61.6166.7157.734.40000115.2
261T29.8Very low30.7Very low118 Ų118136.2 Ų136.272%0.72471%0.712SS**  cis-148.9164.4-3.5-6.40000109.8
262S30.2Very low30.4Very low101 Ų101136.3 Ų136.371%0.70672%0.716SS**  trans23.9140131.5-118.30000120.1
263K38.9Very low30.4Very low196 Ų196136 Ų13685%0.85271%0.714SS**  cis-140.9148.234.7-70.5179176.9175.80114.3
264K28.1Very low30.2Very low158 Ų158133.5 Ų133.569%0.68771%0.714SS**  trans-83.2159.5158.4-157.5-177.8172.2-169.70108.4Q266K264-Q266 HydrophobicContact CD-CG 3.87Å; K264-Q266 HydrophobicContact CG-CG 4.34Å
265P36Very low30Very low112 Ų112132.6 Ų132.673%0.72772%0.718SS**  -134.8160.6105.344.9-35.8000109.9
266Q29.5Very low30.1Very low136 Ų136132.8 Ų132.864%0.63673%0.725SS**  cis63.5141.837.5-59.1-176.5-89.600110.7K264K264-Q266 HydrophobicContact CD-CG 3.87Å; K264-Q266 HydrophobicContact CG-CG 4.34Å
267T29.2Very low29.8Very low114 Ų114128 Ų12870%0.69972%0.723SS**  cis-147.3174-0-14.10000105.7
268E31.9Very low29.7Very low148 Ų148126.8 Ų126.869%0.69273%0.729SS**  cis-119.3-172.214.9-82.1-115.199.300110.1
269V25.4Very low29.9Very low109 Ų109126.9 Ų126.966%0.66173%0.729SS**  cis79.8156.816.5-171.20000114
270V32.6Very low30Very low111 Ų111124.5 Ų124.567%0.67372%0.724SS**  trans72106.4-162.2-169.80000112.1
271S25.6Very low30.6Very low100 Ų100124.4 Ų124.470%0.69973%0.725SS**  cis75.777.117.6-45.10000116.7
272S33.5Very low30.5Very low112 Ų112123.5 Ų123.578%0.78372%0.72SS**  trans-158.4108.3153.4-82.10000107.1
273T28.5Very low30.7Very low115 Ų115124 Ų12471%0.70672%0.722SS**  cis83.8120.338.7-47.60000112.7
274T26.4Very low30.3Very low123 Ų123121.1 Ų121.176%0.75572%0.716SS**  trans48.2126.4164.950.80000120.5
275V29.3Very low30.5Very low129 Ų129119.2 Ų119.278%0.78272%0.717SS**  -151.1139.1107.5-99.30000111.4
276L31.7Very low30.5Very low146 Ų146121.7 Ų121.776%0.76472%0.723SS**  trans34.8116.3138.9-56.1168000117.8
277S24.9Very low30.7Very low101 Ų101120.6 Ų120.671%0.70673%0.731SS**  cis63.2133.330.7-47.30000115.3
278T26.6Very low30.9Very low139 Ų139121.3 Ų121.385%0.85374%0.735SS**  trans69.9148.3-174.6760000114.4
279S32.8Very low31.1Very low111 Ų111122.1 Ų122.178%0.77674%0.743SS**  cis-146.2170.32.947.70000112.4
280I31.5Very low31.4Very low124 Ų124122.4 Ų122.464%0.63675%0.749SS**  trans-108.2138.5178.6-59.7164.5000109.6T282I280-T282 HydrophobicContact CG2-CG2 4.07Å
281P40Very low31.9Very low110 Ų110121.7 Ų121.771%0.71475%0.747SS**  -123.8149.6116.11.220.4000110.6
282T29Very low32.2Very low99 Ų99122.7 Ų122.761%0.60775%0.749SS**  cis75.6154.139.463.50000116I280I280-T282 HydrophobicContact CG2-CG2 4.07Å
283C34.4Very low32.2Very low111 Ų111122.5 Ų122.575%0.7575%0.747SS**  trans77.7116.5-163.5-53.40000113.2
284D29.3Very low32.2Very low136 Ų136121.1 Ų121.173%0.72775%0.748SS**  cis73.513843.2-59.7-60.1000112.4
285V32.3Very low32.5Very low118 Ų118122.7 Ų122.772%0.71575%0.75SS**  cis172.1146.4-16.1125.10000103.3
286L35.9Very low32.4Very low163 Ų163120.8 Ų120.885%0.85374%0.742SS**  trans176.8156.5136.5-97.9172.9000111.7
287S33.7Very low32.3Very low113 Ų113118.5 Ų118.579%0.7974%0.738SS**  trans-131.7137.5-176.7-57.20000111.7
288T34.8Very low32.5Very low129 Ų129123.7 Ų123.779%0.79175%0.749SS**  trans-162.9138.9175.518.70000106.6
289L36.1Very low32.8Very low165 Ų165120.2 Ų120.286%0.86474%0.741SS**  cis-141167.99.7-94.4156.8000111.8
290C30.2Very low32.6Very low115 Ų115123.9 Ų123.978%0.77775%0.748SS**  trans-86.1-163.6163.2-127.90000109.5
291P42.6Very low32.5Very low97 Ų97124.1 Ų124.163%0.6375%0.754SS**  cis-134.7-164.3-1827.9-2.2000112.8
292T32.9Very low32.5Very low121 Ų121123.6 Ų123.674%0.74275%0.751SS**  trans42.6143.1142.552.20000121.4
293S33.8Very low32.7Very low107 Ų107126.3 Ų126.375%0.74876%0.759SS**  cis-155.8169.742.9-62.30000114.3
294A28.9Very low32.4Very low87 Ų87128.5 Ų128.572%0.71976%0.763SS**  trans-40.3163.514800000114.3
295I31.5Very low32.5Very low156 Ų156125.7 Ų125.780%0.877%0.766SS**  -161.9165.480.5-88.5163.4000112.2
296S27.7Very low32.3Very low88 Ų88125.3 Ų125.362%0.61577%0.769SS**  trans-29.7140.717561.90000118.3
297S30.3Very low31.9Very low99 Ų99125.5 Ų125.569%0.69277%0.77SS**  88.515260.8-47.90000115.5
298F29Very low31.6Very low210 Ų210124.2 Ų124.292%0.92176%0.761SS**  trans74.5157.5165.5-60-67.6000119.2
299G32.5Very low31.3Very low66 Ų66123.6 Ų123.668%0.6876%0.761SS**  trans86119.4-172.400000113.1
300M27.6Very low31.2Very low188 Ų188123.4 Ų123.493%0.92676%0.76SS**  cis57.3131.112-63.5-167.417900114.1
301V31.1Very low31.1Very low128 Ų128122.8 Ų122.878%0.77676%0.757SS**  cis-148.716310107.10000108.9
302P40Very low30.8Very low99 Ų99123.4 Ų123.464%0.64376%0.763SS**  trans-89.1171.4-174.237.7-35.1000112.8
303M32.1Very low30.8Very low156 Ų156124.2 Ų124.277%0.76877%0.768SS**  trans163.9148.5134.2-91-61.2173.600112.8
304N28.5Very low30.9Very low158 Ų158122.8 Ų122.885%0.84577%0.771SS**  trans61.7160.2155.2-57.8-22.5000119.5
305G31.6Very low31.1Very low77 Ų77127.1 Ų127.179%0.79478%0.776SS**  trans141.963.5175.600000115
306S27.4Very low31.1Very low109 Ų109125.1 Ų125.176%0.76277%0.771SS**  trans-74.9167.6168.7-56.70000111.5
307L28.8Very low31.5Very low167 Ų167128.7 Ų128.787%0.87478%0.783SS**  trans73.6154.6168.8-49.8172.7000114.8
308S27.5Very low31.5Very low86 Ų86128.9 Ų128.960%0.60179%0.785SS**  cis-174.7148.4-24.352.50000109.5
309S26.6Very low31.9Very low116 Ų116127.1 Ų127.181%0.81178%0.783SS**  trans66.2173.6174.7-14.50000113
310I35Very low31.9Very low162 Ų162128.9 Ų128.983%0.83179%0.785SS**  cis-133.4150.424.5-60.7160000110.4
311S27.5Very low32.2Very low102 Ų102124.7 Ų124.771%0.71378%0.775SS**  trans-95.8144.5-178.5-510000113.6
312S37.3Very low32.4Very low110 Ų110125.6 Ų125.677%0.76978%0.775SS**  trans-157.5105155.5-42.50000108.7
313T32.3Very low32Very low137 Ų137125.2 Ų125.284%0.8478%0.78SS**  68.2112.763.668.40000114.5
314G35Very low32.1Very low78 Ų78124.7 Ų124.780%0.80478%0.779SS**  trans179.944.4-176.300000117.9
315Q34.1Very low32.4Very low177 Ų177123.5 Ų123.583%0.82778%0.777SS**  trans29.9111.1148.1-78.9172-12.400122.7
316T31.2Very low32.5Very low114 Ų114124.3 Ų124.370%0.69977%0.771SS**  41.9131.2117.258.60000121.9
317N35.7Very low33Very low163 Ų163125 Ų12587%0.87278%0.776SS**  -161.9150.9101.3-97-21.5000113.9
318S31.2Very low33.4Very low103 Ų103120.3 Ų120.372%0.7277%0.768SS**  trans-106.5158.2175.852.60000111.2
319I37.4Very low33.7Very low173 Ų173125 Ų12589%0.88778%0.78SS**  trans-156.5144151.3-100.7144.3000108.2
320S31.1Very low34Very low104 Ų104125.3 Ų125.373%0.72778%0.777SS**  trans-113.7160.2-178.2-52.30000110.7
321S35.4Very low33.5Very low100 Ų100123.3 Ų123.370%0.69978%0.777SS**  165.4134.3122.3-75.60000115.1
322N33.9Very low33.9Very low147 Ų147125 Ų12579%0.78678%0.782SS**  trans50.5109.5135.7-50.7-15000119.7
323A32.7Very low33.5Very low91 Ų91124.9 Ų124.975%0.75278%0.781SS**  92.5164.793.300000112
324I34.5Very low33.7Very low144 Ų144123.9 Ų123.974%0.73878%0.777SS**  cis-148.4147.322.4-57.6166.4000109.6
325T33.5Very low33.5Very low133 Ų133127.1 Ų127.182%0.81678%0.775SS**  trans60.8156.6163.645.60000119.7
326S33.7Very low33.4Very low94 Ų94124.5 Ų124.566%0.65777%0.774SS**  cis-165.5153.6-15.145.80000111.3
327S38.7Very low33.7Very low124 Ų124125.1 Ų125.187%0.86778%0.777SS**  trans60.3139.8168.762.60000117.9
328G36.4Very low33.6Very low68 Ų68123.4 Ų123.470%0.70177%0.773SS**  cis-178.2158.7-6.300000111.7
329E34.4Very low33.8Very low185 Ų185125.8 Ų125.886%0.86478%0.777SS**  trans51.692.5162.9-55.8-175.816500117.8
330T32.6Very low33.8Very low123 Ų123122.5 Ų122.576%0.75577%0.769SS**  61.887.974.772.80000117.5
331C26Very low34.3Very low120 Ų120122.8 Ų122.881%0.81177%0.768SS**  56.7137.6121.7-53.50000122.9
332V35.3Very low34.4Very low138 Ų138125.8 Ų125.884%0.83678%0.776SS**  trans91.9123.1154.1-159.70000119.2
333S29.1Very low34.7Very low106 Ų106123.4 Ų123.474%0.74177%0.768SS**  trans-26.7156.5156.2-54.70000117.7
334P36.5Very low34.9Very low116 Ų116125.1 Ų125.175%0.75377%0.769SS**  cis-150.5161.840.341.9-21.4000121
335L30.8Very low35.2Very low147 Ų147125.9 Ų125.977%0.7777%0.774SS**  trans20.1118.5143.3-172.771.5000119.9
336P32.3Very low35.4Very low122 Ų122124.5 Ų124.579%0.79277%0.767SS**  trans-129.713113135.4-25.6000112
337T36.3Very low36Very low127 Ų127129.1 Ų129.178%0.77978%0.779SS**  trans-153.299.6167.1-43.20000112.9
338T33.4Very low36Very low126 Ų126131.6 Ų131.677%0.77378%0.777SS**  trans-106.2124.1164.738.60000110.7
339L35Very low36.5Very low154 Ų154135.8 Ų135.881%0.80678%0.781SS**  trans62.2100.9146.3-62.5164.1000120.4
340S38Very low36.6Very low103 Ų103134 Ų13472%0.7278%0.777SS**  trans82.9173.9130.8-45.20000117.5
341P42.2Very low37.1Very low110 Ų110134.7 Ų134.771%0.71478%0.775SS**  -140.7171.6-91.140.1-21000118.4
342L36.9Very low37.6Very low163 Ų163137.7 Ų137.785%0.85377%0.774SS**  trans71.4166163.2-114.172.4000116.9
343P40.8Very low38Very low97 Ų97138.7 Ų138.763%0.6377%0.773SS**  cis-127.5178.7-2723.8-1.9000114.3
344T36.4Very low38.4Very low127 Ų127139.1 Ų139.178%0.77977%0.768SS**  trans65.4154.9153.633.50000119.2
345L39.9Very low38.9Very low161 Ų161140.1 Ų140.184%0.84377%0.774SS**  cis-136.5179.6-0.5-106160.2000108.3
346P38.2Very low39.5Very low103 Ų103138 Ų13867%0.66977%0.771SS**  trans-101.5168.1-167.140.2-37.3000115.9
347E47.3Very low39.9Very low191 Ų191139.7 Ų139.789%0.89377%0.773SS**  trans-115.6131.9151.4-71.9-163.6133.100110.7
348E38.3Very low39.8Very low177 Ų177137.1 Ų137.183%0.82777%0.771SS**  trans-107.4-175.5154.4-69.1-166.7114.500108.3
349I45.9Very low40.1Very low155 Ų155138.6 Ų138.680%0.79577%0.774SS**  trans75.8143.5173.1-29.3175.7000114.4
350L37.1Very low41.1Very low147 Ų147136.1 Ų136.177%0.7777%0.768SS**  trans63.4127.1-175.6-66.494.9000115.7
351L43Very low41.8Very low138 Ų138136.7 Ų136.772%0.72377%0.769SS**  cis-144.1166.5-6.3-111.8173.2000110.7
352K36.1Very low42.3Very low183 Ų183135.9 Ų135.980%0.79676%0.764SS**  trans-76.3130.1179.4-56.987.9166.7-172.90109.6
353I44.9Very low42.8Very low159 Ų159132.7 Ų132.782%0.81575%0.753SS**  trans-135.7116.6162.4-57.6179.8000106.9P355I353-P355 WeakPolarHBondContact O-CD 3.37Å
354D37Very low42.9Very low116 Ų116134 Ų13462%0.6276%0.762SS**  trans-74.9124.4178.5-68-84.2000111.5S356D354-S356 WeakPolarHBondContact CB-OG 3.45Å; D354-S356 PolarHBondContact O-N 3.14Å
355P47.9Very low43.1Very low137 Ų137135.9 Ų135.989%0.8976%0.761SS**THydrogen-bonded Turntrans-79.449.6166.835.7-35.2000110.4I353I353-P355 WeakPolarHBondContact O-CD 3.37Å
356S43.3Very low42.9Very low101 Ų101132 Ų13271%0.70675%0.753SS**THydrogen-bonded Turntrans-113.8-17.1177.466.40000113.1D354 G358D354-S356 WeakPolarHBondContact CB-OG 3.45Å; D354-S356 PolarHBondContact O-N 3.14Å; S356-G358 PolarHBondContact O-N 2.79Å
357L40Very low42.8Very low159 Ų159133.9 Ų133.983%0.83276%0.757SS**SBendtrans-71.8119.8158.8-82.2164.8000108.3D359L357-D359 PolarHBondContact O-N 3.49Å
358G35Very low42.7Very low72 Ų72132 Ų13274%0.74275%0.752SS**  trans-78.5107.9179.600000110.9S356 P360S356-G358 PolarHBondContact O-N 2.79Å; G358-P360 WeakPolarHBondContact O-CD 3.5Å
359D39.6Very low42.9Very low157 Ų157127.4 Ų127.484%0.8474%0.736SS**PPolyproline II helixtrans-50.9122.1152.9-71.6-47.4000107.4L357L357-D359 PolarHBondContact O-N 3.49Å
360P54.4Low43.5Very low102 Ų102126.1 Ų126.166%0.66273%0.729SS**PPolyproline II helixtrans-58.9148.1172.325.9-33.2000108.5G358 P362G358-P360 WeakPolarHBondContact O-CD 3.5Å; P360-P362 VanDerWaalsContact O-N 3.12Å
361P52.7Low44.4Very low115 Ų115124 Ų12475%0.74772%0.722SS**PPolyproline II helixtrans-53.5127.7171.824.8-33.2000107.3
362P53.3Low45.9Very low94 Ų94121.8 Ų121.861%0.6171%0.706SS**PPolyproline II helixtrans-53.7132.2-176.921.1-32.5000107.7P360P360-P362 VanDerWaalsContact O-N 3.12Å
363P47.3Very low48Very low96 Ų96116.6 Ų116.662%0.62369%0.692SS**PPolyproline II helixtrans-52.3142.8-176.823.6-34.2000108H365P363-H365 VanDerWaalsContact C-N 3.34Å; P363-H365 WeakPolarHBondContact O-CA 3.48Å; P363-H365 PolarHBondContact O-N 2.77Å
364P43.8Very low49.8Very low125 Ų125113 Ų11381%0.81267%0.669SS**  trans-55.5103.4-175.723.8-33.6000107.6A366P364-A366 PolarHBondContact O-N 2.99Å
365H39.6Very low52.2Low165 Ų165111 Ų11176%0.76466%0.655SS**  trans-56.4117.7-168.5-83.5-81.2000106.6P363P363-H365 VanDerWaalsContact C-N 3.34Å; P363-H365 WeakPolarHBondContact O-CA 3.48Å; P363-H365 PolarHBondContact O-N 2.77Å
366A37.1Very low54.3Low81 Ų81104.4 Ų104.467%0.66961%0.613SS**  trans-51154.3-173.600000109.8P364 I368P364-A366 PolarHBondContact O-N 2.99Å; A366-I368 PolarHBondContact O-N 2.9Å
367D34.5Very low56.4Low142 Ų142104.5 Ų104.576%0.75961%0.605SS**  trans-72.758.1-168.7-161.115.9000113.6T369D367-T369 PolarHBondContact O-N 2.94Å; D367-T369 WeakPolarHBondContact OD1-CA 3.43Å; D367-T369 VanDerWaalsContact OD1-CG2 3.27Å; D367-T369 WeakPolarHBondContact OD1-CG2 3.39Å; D367-T369 PolarHBondContact OD1-N 3.48Å
368I44.9Very low58.7Low152 Ų152102 Ų10278%0.77959%0.592SS**  trans-52.784.2137.1-52.2174.4000105.4A366 I370A366-I368 PolarHBondContact O-N 2.9Å; I368-I370 PolarHBondContact O-N 3.43Å
369T42.6Very low61.4Low80 Ų80100.4 Ų100.449%0.49157%0.569SS.*  trans-50.4112170.858.10000106D367 T371D367-T369 PolarHBondContact O-N 2.94Å; D367-T369 WeakPolarHBondContact OD1-CA 3.43Å; D367-T369 VanDerWaalsContact OD1-CG2 3.27Å; D367-T369 WeakPolarHBondContact OD1-CG2 3.39Å; D367-T369 PolarHBondContact OD1-N 3.48Å; T369-T371 WeakPolarHBondContact O-CG2 3.46Å; T369-T371 PolarHBondContact O-N 3.43Å
370I58.8Low63.6Low127 Ų12799.5 Ų99.565%0.65156%0.557SS**  trans-62.299.8168.7-66.9177.5000103.1I368 K372I368-I370 PolarHBondContact O-N 3.43Å; I370-K372 WeakPolarHBondContact O-CG 3.46Å; I370-K372 PolarHBondContact O-N 3.13Å
371T57.4Low65.2Low102 Ų102100.3 Ų100.363%0.62655%0.55SS**  trans-64.1108-163.946.10000107.1T369 P373T369-T371 WeakPolarHBondContact O-CG2 3.46Å; T369-T371 PolarHBondContact O-N 3.43Å; T371-P373 WeakPolarHBondContact O-CD 3.37Å
372K73.3Confident67Low92 Ų92101.2 Ų101.240%0.454%0.539SS..  trans-104.973.4172.7-71.4160.9-175.8169.90104.8I370 Y374 R382 Y383I370-K372 WeakPolarHBondContact O-CG 3.46Å; I370-K372 PolarHBondContact O-N 3.13Å; K372-Y374 PolarHBondContact O-N 3.12Å; K372-R382 HydrophobicContact CB-CB 3.6Å; K372-R382 HydrophobicContact CD-CB 4.39Å; K372-R382 PolarHBondContact O-NE 3.35Å; K372-R382 PolarHBondContact O-NH2 3.32Å; K372-Y383 CarbonylContact C-O 3.51Å; K372-Y383 WeakPolarHBondContact CA-O 3.14Å; K372-Y383 WeakPolarHBondContact CB-O 3.29Å
373P80.8Confident68.7Low75 Ų7599.4 Ų99.449%0.48752%0.52SS..  trans-67.7-25.6-175.729.9-36.3000110.7T371 Q375T371-P373 WeakPolarHBondContact O-CD 3.37Å; P373-Q375 PolarHBondContact O-N 3.13Å
374Y82.8Confident70.7Confident84 Ų8498.8 Ų98.833%0.32952%0.518SS..EExtended strand (participates in β ladder)trans-81.181.5-177.8-52.3-67.2000110.9K372 Y383 G385 M386K372-Y374 PolarHBondContact O-N 3.12Å; Y374-Y383 WeakPolarHBondContact CB-O 3.49Å; Y374-Y383 PolarHBondContact N-O 3.09Å; Y374-Y383 PolarHBondContact O-N 2.88Å; Y374-G385 VanDerWaalsContact CD2-CA 3.41Å; Y374-M386 HydrophobicContact CD1-CB 4.15Å; Y374-M386 HydrophobicContact CD1-CE 3.75Å; Y374-M386 HydrophobicContact CD1-SD 3.91Å; Y374-M386 VanDerWaalsContact CD2-N 3.27Å; Y374-M386 HydrophobicContact CE1-CB 3.94Å; Y374-M386 HydrophobicContact CE1-CE 3.63Å; Y374-M386 HydrophobicContact CE1-SD 4.21Å; Y374-M386 HydrophobicContact CE2-CB 4.34Å; Y374-M386 VanDerWaalsContact CE2-N 3.32Å; Y374-M386 HydrophobicContact CG-CB 4.47Å
375Q87.9Confident72.8Confident72 Ų7293.8 Ų93.834%0.33649%0.49SS..EExtended strand (participates in β ladder)trans-73.9150169.8-170.7153.3-56.200110.9P373 F380 R382 L389P373-Q375 PolarHBondContact O-N 3.13Å; Q375-F380 HydrophobicContact CG-CB 4.39Å; Q375-F380 HydrophobicContact CG-CD1 4.36Å; Q375-R382 HydrophobicContact CB-CG 4.13Å; Q375-R382 HydrophobicContact CG-CG 4.05Å; Q375-R382 VanDerWaalsContact OE1-CD 3.3Å; Q375-L389 WeakPolarHBondContact O-CD1 3.37Å; Q375-L389 VanDerWaalsContact O-CD2 3.31Å; Q375-L389 WeakPolarHBondContact O-CD2 3.39Å
376C91Very high75.1Confident0 Ų091.1 Ų91.10%048%0.479CS..  trans-98.3115173-176.20000111.4I378 C379 F380 K381 Y383 L389 H392 H396C376-I378 PolarHBondContact O-N 2.88Å; C376-C379 PolarHBondContact O-N 2.92Å; C376-F380 WeakPolarHBondContact O-CA 3.48Å; C376-F380 PolarHBondContact O-N 2.88Å; C376-K381 WeakPolarHBondContact CB-O 3.44Å; C376-K381 PolarHBondContact N-O 3.28Å; C376-Y383 HydrophobicContact CB-CE2 4.42Å; C376-L389 HydrophobicContact CB-CD1 3.66Å; C376-H392 VanDerWaalsContact SG-CD2 3.52Å; C376-H392 PolarHBondContact SG-NE2 3.07Å; C376-H392 VanDerWaalsContact SG-NE2 3.4Å; C376-H396 VanDerWaalsContact SG-CD2 3.6Å; C376-H396 PolarHBondContact SG-NE2 3.39Å
377D88.7Confident77.6Confident102 Ų10295.3 Ų95.355%0.54548%0.482SS..THydrogen-bonded Turntrans-56.2-23.5-178.12.3-59.1000114.6F380 K393D377-F380 VanDerWaalsContact O-CE1 3.31Å; D377-F380 WeakPolarHBondContact O-CE1 3.44Å; D377-K393 IonicContact OD1-NZ 2.79Å; D377-K393 PolarHBondContact OD1-NZ 2.89Å; D377-K393 WeakPolarHBondContact OD2-CE 3.37Å; D377-K393 IonicContact OD2-NZ 3.49Å; D377-K393 PolarHBondContact OD2-NZ 3.14Å
378I88Confident80.2Confident108 Ų10891 Ų9155%0.55446%0.464SS*.THydrogen-bonded Turntrans-90.1-25.7-177.6-60.5169.9000113.4C376 H396C376-I378 PolarHBondContact O-N 2.88Å; I378-H396 HydrophobicContact CD1-CB 3.64Å; I378-H396 HydrophobicContact CG2-CB 4.15Å
379C91.1Very high82.4Confident38 Ų3884.3 Ų84.326%0.25743%0.429SS..THydrogen-bonded Turntrans-147.913.7-17776.40000115.4C376 K381 H392 H396C376-C379 PolarHBondContact O-N 2.92Å; C379-K381 PolarHBondContact O-N 3.24Å; C379-H392 PolarHBondContact SG-NE2 3.34Å; C379-H396 PolarHBondContact SG-CE1 3.25Å; C379-H396 PolarHBondContact SG-NE2 2.95Å
380F85.7Confident84.6Confident137 Ų13787.8 Ų87.860%0.60144%0.437SS*.  trans52.210.6176.4-49.8-56.9000117.5Q375 C376 D377 R382Q375-F380 HydrophobicContact CG-CB 4.39Å; Q375-F380 HydrophobicContact CG-CD1 4.36Å; C376-F380 WeakPolarHBondContact O-CA 3.48Å; C376-F380 PolarHBondContact O-N 2.88Å; D377-F380 VanDerWaalsContact O-CE1 3.31Å; D377-F380 WeakPolarHBondContact O-CE1 3.44Å; F380-R382 PolarHBondContact O-N 3.02Å
381K88.5Confident85.9Confident119 Ų11984.6 Ų84.652%0.51742%0.421SS..  trans-63.3132.4170.6-61.9-177.4-156.9-43.20109.8C376 C379 Y383C376-K381 WeakPolarHBondContact CB-O 3.44Å; C376-K381 PolarHBondContact N-O 3.28Å; C379-K381 PolarHBondContact O-N 3.24Å; K381-Y383 HydrophobicContact CB-CE2 3.69Å; K381-Y383 WeakPolarHBondContact O-CD2 3.05Å; K381-Y383 VanDerWaalsContact O-CE2 3.27Å; K381-Y383 WeakPolarHBondContact O-CE2 3.45Å
382R89.7Confident87.4Confident135 Ų13580.6 Ų80.651%0.50940%0.396SS..EExtended strand (participates in β ladder)trans-102.5139.7-176.8-55.8-174.469.1126.4-15.3111.5K372 Q375 F380K372-R382 HydrophobicContact CB-CB 3.6Å; K372-R382 HydrophobicContact CD-CB 4.39Å; K372-R382 PolarHBondContact O-NE 3.35Å; K372-R382 PolarHBondContact O-NH2 3.32Å; Q375-R382 HydrophobicContact CB-CG 4.13Å; Q375-R382 HydrophobicContact CG-CG 4.05Å; Q375-R382 VanDerWaalsContact OE1-CD 3.3Å; F380-R382 PolarHBondContact O-N 3.02Å
383Y89.7Confident88.2Confident55 Ų5579.7 Ų79.722%0.21639%0.392CS..EExtended strand (participates in β ladder)trans-126.1145.8-176.3-62.7-89.2000111.9K372 Y374 C376 K381 G385 L389 H392K372-Y383 CarbonylContact C-O 3.51Å; K372-Y383 WeakPolarHBondContact CA-O 3.14Å; K372-Y383 WeakPolarHBondContact CB-O 3.29Å; Y374-Y383 WeakPolarHBondContact CB-O 3.49Å; Y374-Y383 PolarHBondContact N-O 3.09Å; Y374-Y383 PolarHBondContact O-N 2.88Å; C376-Y383 HydrophobicContact CB-CE2 4.42Å; K381-Y383 HydrophobicContact CB-CE2 3.69Å; K381-Y383 WeakPolarHBondContact O-CD2 3.05Å; K381-Y383 VanDerWaalsContact O-CE2 3.27Å; K381-Y383 WeakPolarHBondContact O-CE2 3.45Å; Y383-G385 VanDerWaalsContact C-N 3.27Å; Y383-G385 PolarHBondContact O-N 3.44Å; Y383-L389 HydrophobicContact CD2-CB 4.45Å; Y383-L389 HydrophobicContact CD2-CD1 4.14Å; Y383-H392 HydrophobicContact CE1-CB 4.16Å; Y383-H392 HydrophobicContact CE2-CB 4.05Å; Y383-H392 AromaticContact CE2-CD2 3.13Å; Y383-H392 WeakPolarHBondContact CE2-CD2 3.37Å; Y383-H392 AromaticContact CE2-CG 3.66Å; Y383-H392 AromaticContact CE2-NE2 3.81Å; Y383-H392 AromaticContact CZ-CD2 3.39Å; Y383-H392 AromaticContact CZ-CG 3.44Å; Y383-H392 VanDerWaalsContact CZ-CG 3.44Å; Y383-H392 AromaticContact CZ-NE2 3.98Å; Y383-H392 PolarHBondContact OH-CD2 3.49Å; Y383-H392 VanDerWaalsContact OH-CD2 3.24Å; Y383-H392 PolarHBondContact OH-CE1 3.39Å; Y383-H392 PolarHBondContact OH-ND1 3.03Å; Y383-H392 PolarHBondContact OH-NE2 3.12Å
384S89.5Confident88.5Confident83 Ų8378 Ų7858%0.5838%0.379SS*.SBendtrans-78.4-3.8-176.749.80000114.5
385G88.2Confident88.7Confident21 Ų2177.7 Ų77.722%0.21639%0.386CS..SBendtrans-158.9144.8179.100000112.5Y374 Y383 K387 S388 L389Y374-G385 VanDerWaalsContact CD2-CA 3.41Å; Y383-G385 VanDerWaalsContact C-N 3.27Å; Y383-G385 PolarHBondContact O-N 3.44Å; G385-K387 PolarHBondContact O-N 3.32Å; G385-S388 WeakPolarHBondContact O-CA 3.13Å; G385-S388 WeakPolarHBondContact O-CB 3.33Å; G385-S388 PolarHBondContact O-N 3.08Å; G385-L389 PolarHBondContact O-N 3.22Å; G385-L389 VanDerWaalsContact O-N 3.12Å
386M87.9Confident88.7Confident109 Ų10977.5 Ų77.554%0.53738%0.384SS..Hα-helixtrans-55.5-36.3-178.1-175.662.890.900112.5Y374 S388 L389 K390Y374-M386 HydrophobicContact CD1-CB 4.15Å; Y374-M386 HydrophobicContact CD1-CE 3.75Å; Y374-M386 HydrophobicContact CD1-SD 3.91Å; Y374-M386 VanDerWaalsContact CD2-N 3.27Å; Y374-M386 HydrophobicContact CE1-CB 3.94Å; Y374-M386 HydrophobicContact CE1-CE 3.63Å; Y374-M386 HydrophobicContact CE1-SD 4.21Å; Y374-M386 HydrophobicContact CE2-CB 4.34Å; Y374-M386 VanDerWaalsContact CE2-N 3.32Å; Y374-M386 HydrophobicContact CG-CB 4.47Å; M386-S388 VanDerWaalsContact C-N 3.29Å; M386-S388 PolarHBondContact O-N 3.41Å; M386-L389 PolarHBondContact O-N 3.48Å; M386-L389 HydrophobicContact SD-CD2 4.22Å; M386-K390 WeakPolarHBondContact O-CB 3.36Å; M386-K390 PolarHBondContact O-N 3.31Å
387K88.3Confident88.3Confident168 Ų16879.9 Ų79.973%0.7340%0.401SS*.Hα-helixtrans-61.1-36175.1-170.7171.9-175.7172.10112.5G385 N391G385-K387 PolarHBondContact O-N 3.32Å; K387-N391 VanDerWaalsContact O-CB 3.32Å; K387-N391 WeakPolarHBondContact O-CB 3.36Å; K387-N391 PolarHBondContact O-N 3.49Å; K387-N391 VanDerWaalsContact O-N 3.09Å; K387-N391 PolarHBondContact O-ND2 2.95Å; K387-N391 VanDerWaalsContact O-ND2 3.16Å
388S88.9Confident87.8Confident53 Ų5382 Ų8237%0.37141%0.412SS..Hα-helixtrans-73.6-39.5175.8-610000111.7G385 M386 H392G385-S388 WeakPolarHBondContact O-CA 3.13Å; G385-S388 WeakPolarHBondContact O-CB 3.33Å; G385-S388 PolarHBondContact O-N 3.08Å; M386-S388 VanDerWaalsContact C-N 3.29Å; M386-S388 PolarHBondContact O-N 3.41Å; S388-H392 WeakPolarHBondContact O-CB 3.4Å; S388-H392 PolarHBondContact O-N 3.28Å; S388-H392 VanDerWaalsContact O-N 3.11Å
389L91Very high87.6Confident10 Ų1082 Ų825%0.05241%0.413CS..Hα-helixtrans-63.2-47.6171.9175.261000111.5Q375 C376 Y383 G385 M386 N391 H392 K393Q375-L389 WeakPolarHBondContact O-CD1 3.37Å; Q375-L389 VanDerWaalsContact O-CD2 3.31Å; Q375-L389 WeakPolarHBondContact O-CD2 3.39Å; C376-L389 HydrophobicContact CB-CD1 3.66Å; Y383-L389 HydrophobicContact CD2-CB 4.45Å; Y383-L389 HydrophobicContact CD2-CD1 4.14Å; G385-L389 PolarHBondContact O-N 3.22Å; G385-L389 VanDerWaalsContact O-N 3.12Å; M386-L389 PolarHBondContact O-N 3.48Å; M386-L389 HydrophobicContact SD-CD2 4.22Å; L389-N391 PolarHBondContact O-N 2.93Å; L389-H392 CarbonylContact O-C 3.57Å; L389-H392 WeakPolarHBondContact O-CA 3.49Å; L389-H392 WeakPolarHBondContact O-CB 3.41Å; L389-H392 PolarHBondContact O-N 3.13Å; L389-K393 HydrophobicContact CD1-CG 4.06Å; L389-K393 HydrophobicContact CG-CG 4.35Å; L389-K393 PolarHBondContact O-N 2.93Å
390K88.6Confident87.4Confident153 Ų15385.7 Ų85.767%0.66542%0.421SS*.Hα-helixtrans-59.6-44.7178.6-171.3170.2-176.2171.90111.7M386 H392 K393 L394M386-K390 WeakPolarHBondContact O-CB 3.36Å; M386-K390 PolarHBondContact O-N 3.31Å; K390-H392 PolarHBondContact O-N 3.48Å; K390-K393 PolarHBondContact O-N 3.46Å; K390-L394 PolarHBondContact O-N 2.98Å
391N87.6Confident87.4Confident60 Ų6082.7 Ų82.732%0.32142%0.415SS..Hα-helixtrans-63.1-19.7173.3-75.4-22.7000114K387 L389K387-N391 VanDerWaalsContact O-CB 3.32Å; K387-N391 WeakPolarHBondContact O-CB 3.36Å; K387-N391 PolarHBondContact O-N 3.49Å; K387-N391 VanDerWaalsContact O-N 3.09Å; K387-N391 PolarHBondContact O-ND2 2.95Å; K387-N391 VanDerWaalsContact O-ND2 3.16Å; L389-N391 PolarHBondContact O-N 2.93Å
392H88.9Confident87.3Confident18 Ų1880 Ų808%0.08340%0.404CS..Hα-helixtrans-95.9-30.3175.3170.755.4000113.3C376 C379 Y383 S388 L389 K390 L394 T395 H396C376-H392 VanDerWaalsContact SG-CD2 3.52Å; C376-H392 PolarHBondContact SG-NE2 3.07Å; C376-H392 VanDerWaalsContact SG-NE2 3.4Å; C379-H392 PolarHBondContact SG-NE2 3.34Å; Y383-H392 HydrophobicContact CE1-CB 4.16Å; Y383-H392 HydrophobicContact CE2-CB 4.05Å; Y383-H392 AromaticContact CE2-CD2 3.13Å; Y383-H392 WeakPolarHBondContact CE2-CD2 3.37Å; Y383-H392 AromaticContact CE2-CG 3.66Å; Y383-H392 AromaticContact CE2-NE2 3.81Å; Y383-H392 AromaticContact CZ-CD2 3.39Å; Y383-H392 AromaticContact CZ-CG 3.44Å; Y383-H392 VanDerWaalsContact CZ-CG 3.44Å; Y383-H392 AromaticContact CZ-NE2 3.98Å; Y383-H392 PolarHBondContact OH-CD2 3.49Å; Y383-H392 VanDerWaalsContact OH-CD2 3.24Å; Y383-H392 PolarHBondContact OH-CE1 3.39Å; Y383-H392 PolarHBondContact OH-ND1 3.03Å; Y383-H392 PolarHBondContact OH-NE2 3.12Å; S388-H392 WeakPolarHBondContact O-CB 3.4Å; S388-H392 PolarHBondContact O-N 3.28Å; S388-H392 VanDerWaalsContact O-N 3.11Å; L389-H392 CarbonylContact O-C 3.57Å; L389-H392 WeakPolarHBondContact O-CA 3.49Å; L389-H392 WeakPolarHBondContact O-CB 3.41Å; L389-H392 PolarHBondContact O-N 3.13Å; K390-H392 PolarHBondContact O-N 3.48Å; H392-L394 PolarHBondContact O-N 3.32Å; H392-T395 PolarHBondContact CE1-OG1 2.98Å; H392-T395 PolarHBondContact ND1-OG1 3.21Å; H392-T395 WeakPolarHBondContact O-CA 3.4Å; H392-T395 WeakPolarHBondContact O-CB 3.23Å; H392-T395 PolarHBondContact O-N 3.03Å; H392-T395 PolarHBondContact O-OG1 3.23Å; H392-H396 AromaticContact CD2-NE2 3.93Å; H392-H396 AromaticContact CE1-CE1 3.6Å; H392-H396 AromaticContact CE1-NE2 3.12Å; H392-H396 PolarHBondContact CE1-NE2 3.41Å; H392-H396 AromaticContact ND1-NE2 3.97Å; H392-H396 AromaticContact NE2-CE1 3.87Å; H392-H396 AromaticContact NE2-NE2 3.07Å; H392-H396 PolarHBondContact NE2-NE2 3.3Å
393K88.6Confident87.2Confident73 Ų7380.9 Ų80.932%0.31741%0.412SS..Hα-helixtrans-59.2-37.1168.2-66.4-161-178.1-164.70110.1D377 L389 K390 T395 H396 S397D377-K393 IonicContact OD1-NZ 2.79Å; D377-K393 PolarHBondContact OD1-NZ 2.89Å; D377-K393 WeakPolarHBondContact OD2-CE 3.37Å; D377-K393 IonicContact OD2-NZ 3.49Å; D377-K393 PolarHBondContact OD2-NZ 3.14Å; L389-K393 HydrophobicContact CD1-CG 4.06Å; L389-K393 HydrophobicContact CG-CG 4.35Å; L389-K393 PolarHBondContact O-N 2.93Å; K390-K393 PolarHBondContact O-N 3.46Å; K393-T395 PolarHBondContact O-N 3.35Å; K393-T395 VanDerWaalsContact O-N 3.08Å; K393-H396 PolarHBondContact O-N 3.06Å; K393-S397 PolarHBondContact O-N 3.29Å
394L87.3Confident87.3Confident41 Ų4178.4 Ų78.422%0.21540%0.402CS..THydrogen-bonded Turntrans-60.7-9.2167.4-67.9177000115.8K390 H392 S397 L412K390-L394 PolarHBondContact O-N 2.98Å; H392-L394 PolarHBondContact O-N 3.32Å; L394-S397 VanDerWaalsContact O-O 3.08Å; L394-L412 WeakPolarHBondContact O-CD2 3.38Å
395T87.7Confident87.1Confident77 Ų7780 Ų8047%0.47241%0.413SS..THydrogen-bonded Turntrans-92.9-8.9171.865.60000113.7H392 K393 L412H392-T395 PolarHBondContact CE1-OG1 2.98Å; H392-T395 PolarHBondContact ND1-OG1 3.21Å; H392-T395 WeakPolarHBondContact O-CA 3.4Å; H392-T395 WeakPolarHBondContact O-CB 3.23Å; H392-T395 PolarHBondContact O-N 3.03Å; H392-T395 PolarHBondContact O-OG1 3.23Å; K393-T395 PolarHBondContact O-N 3.35Å; K393-T395 VanDerWaalsContact O-N 3.08Å; T395-L412 HydrophobicContact CG2-CD2 3.57Å
396H87.5Confident87Confident67 Ų6783.6 Ų83.631%0.3143%0.427SS..THydrogen-bonded Turntrans-97.8-13.4170.8-56.9-61.1000112.4C376 I378 C379 H392 K393C376-H396 VanDerWaalsContact SG-CD2 3.6Å; C376-H396 PolarHBondContact SG-NE2 3.39Å; I378-H396 HydrophobicContact CD1-CB 3.64Å; I378-H396 HydrophobicContact CG2-CB 4.15Å; C379-H396 PolarHBondContact SG-CE1 3.25Å; C379-H396 PolarHBondContact SG-NE2 2.95Å; H392-H396 AromaticContact CD2-NE2 3.93Å; H392-H396 AromaticContact CE1-CE1 3.6Å; H392-H396 AromaticContact CE1-NE2 3.12Å; H392-H396 PolarHBondContact CE1-NE2 3.41Å; H392-H396 AromaticContact ND1-NE2 3.97Å; H392-H396 AromaticContact NE2-CE1 3.87Å; H392-H396 AromaticContact NE2-NE2 3.07Å; H392-H396 PolarHBondContact NE2-NE2 3.3Å; K393-H396 PolarHBondContact O-N 3.06Å
397S83.7Confident87.1Confident51 Ų5180.6 Ų80.636%0.35742%0.416SS..SBendtrans-100.9139.4170.8-45.70000109.8K393 L394 I399K393-S397 PolarHBondContact O-N 3.29Å; L394-S397 VanDerWaalsContact O-O 3.08Å; S397-I399 PolarHBondContact O-N 2.92Å; S397-I399 VanDerWaalsContact O-N 3.16Å
398D78.3Confident87Confident145 Ų14575.1 Ų75.178%0.77541%0.407SS*.  trans-72.4-0.4169.7-75.6-67.6000113.9R400D398-R400 WeakPolarHBondContact O-CG 3.41Å; D398-R400 PolarHBondContact O-N 3.38Å
399I83Confident87Confident110 Ų11077.7 Ų77.756%0.56441%0.412SS*.  trans-61.3116.4174.8-58.4172000110.1S397 P401S397-I399 PolarHBondContact O-N 2.92Å; S397-I399 VanDerWaalsContact O-N 3.16Å; I399-P401 HydrophobicContact CG2-CG 4.25Å
400R86.2Confident86.9Confident115 Ų11578.6 Ų78.643%0.43442%0.421SS..  trans-12385.9-177.7-72.1158.2175.4-92.6-2.5109.6D398 H402 A410 F411 L412D398-R400 WeakPolarHBondContact O-CG 3.41Å; D398-R400 PolarHBondContact O-N 3.38Å; R400-H402 PolarHBondContact O-N 2.9Å; R400-H402 VanDerWaalsContact O-N 3.15Å; R400-A410 HydrophobicContact CB-CB 3.47Å; R400-A410 VanDerWaalsContact CB-CB 3.47Å; R400-A410 HydrophobicContact CG-CB 4.39Å; R400-A410 PolarHBondContact NH1-O 3.39Å; R400-F411 CarbonylContact C-O 3.55Å; R400-L412 HydrophobicContact CG-CD1 3.95Å; R400-L412 HydrophobicContact CG-CG 4.33Å
401P85.9Confident86.9Confident73 Ų7373.6 Ų73.647%0.47440%0.399SS..  trans-63.9-25.3-167.3-2434.5000114.5I399I399-P401 HydrophobicContact CG2-CG 4.25Å
402H87.3Confident87Confident63 Ų6372.7 Ų72.729%0.29239%0.394SS..EExtended strand (participates in β ladder)trans-103.688.8-168.5-57.8-72.9000110.7R400 F411 R413 A414 M417R400-H402 PolarHBondContact O-N 2.9Å; R400-H402 VanDerWaalsContact O-N 3.15Å; H402-F411 HydrophobicContact CB-CB 4.41Å; H402-F411 WeakPolarHBondContact CB-O 3.47Å; H402-F411 PolarHBondContact N-O 3.47Å; H402-F411 VanDerWaalsContact N-O 3.08Å; H402-F411 PolarHBondContact O-N 2.88Å; H402-R413 VanDerWaalsContact CD2-CA 3.42Å; H402-R413 WeakPolarHBondContact CD2-CA 3.33Å; H402-A414 PolarHBondContact CD2-N 3.21Å; H402-A414 PolarHBondContact NE2-N 2.94Å; H402-M417 HydrophobicContact CB-CB 3.83Å; H402-M417 HydrophobicContact CB-CG 4.22Å; H402-M417 HydrophobicContact CB-SD 3.64Å
403K87.9Confident87Confident154 Ų15476.3 Ų76.367%0.6741%0.407SS*.EExtended strand (participates in β ladder)trans-84.4123.6177.3-61.8-179.6-177.7177.80110.5S405 A410 M417K403-S405 PolarHBondContact O-N 2.91Å; K403-A410 HydrophobicContact CG-CB 4.04Å; K403-M417 VanDerWaalsContact O-SD 3.34Å
404C90.8Very high86.9Confident2 Ų275.1 Ų75.11%0.01441%0.411CS..  trans-68.5124.3175.5176.40000111I406 C407 G408 K409 F411 M417 E421 H424C404-I406 PolarHBondContact O-N 3.24Å; C404-C407 PolarHBondContact O-N 3.01Å; C404-G408 WeakPolarHBondContact O-CA 3.46Å; C404-G408 PolarHBondContact O-N 3.43Å; C404-K409 PolarHBondContact N-O 2.95Å; C404-F411 HydrophobicContact CB-CE2 4.23Å; C404-M417 HydrophobicContact CB-CG 4.24Å; C404-E421 HydrophobicContact CB-CG 4.46Å; C404-E421 WeakPolarHBondContact SG-CG 3.47Å; C404-H424 VanDerWaalsContact SG-CD2 3.56Å; C404-H424 PolarHBondContact SG-NE2 2.86Å
405S86.1Confident86.9Confident116 Ų11676.9 Ų76.981%0.81142%0.42SS*.THydrogen-bonded Turntrans-58.7-31.5-177.1174.60000113.8K403K403-S405 PolarHBondContact O-N 2.91Å
406I86Confident86.9Confident98 Ų9876.6 Ų76.650%0.50341%0.412SS..THydrogen-bonded Turntrans-85.1-22.9-170.2-59.6166.7000113.1C404 H424C404-I406 PolarHBondContact O-N 3.24Å; I406-H424 HydrophobicContact CB-CB 4.34Å; I406-H424 HydrophobicContact CD1-CB 3.62Å; I406-H424 HydrophobicContact CG2-CB 3.95Å
407C89.6Confident87.1Confident45 Ų4575.2 Ų75.230%0.30441%0.407SS..THydrogen-bonded Turntrans-148.116.3-178.877.40000115.4C404 K409 H420 H424C404-C407 PolarHBondContact O-N 3.01Å; C407-K409 PolarHBondContact O-N 3.46Å; C407-K409 VanDerWaalsContact SG-CD 3.58Å; C407-K409 VanDerWaalsContact SG-CG 3.57Å; C407-H420 PolarHBondContact SG-NE2 2.81Å; C407-H424 WeakPolarHBondContact CB-CE1 3.21Å; C407-H424 PolarHBondContact SG-CE1 3.5Å; C407-H424 PolarHBondContact SG-NE2 3.08Å
408G86.8Confident87.3Confident53 Ų5381.7 Ų81.755%0.54642%0.423SS..  trans68.4-9.6176.500000116.4C404 A410C404-G408 WeakPolarHBondContact O-CA 3.46Å; C404-G408 PolarHBondContact O-N 3.43Å; G408-A410 PolarHBondContact O-N 2.87Å
409K87.8Confident87.8Confident108 Ų10876.8 Ų76.847%0.4740%0.397SS..  trans-60.8127.4-174.8-72.2177-170.3171.40111.3C404 C407 F411C404-K409 PolarHBondContact N-O 2.95Å; C407-K409 PolarHBondContact O-N 3.46Å; C407-K409 VanDerWaalsContact SG-CD 3.58Å; C407-K409 VanDerWaalsContact SG-CG 3.57Å; K409-F411 HydrophobicContact CB-CE2 3.88Å; K409-F411 HydrophobicContact CB-CZ 4.21Å; K409-F411 VanDerWaalsContact O-CD2 3.27Å; K409-F411 WeakPolarHBondContact O-CD2 3.32Å; K409-F411 WeakPolarHBondContact O-CE2 3.33Å
410A90.2Very high88Confident29 Ų2973 Ų7324%0.2438%0.376CS..EExtended strand (participates in β ladder)trans-100.9130.3-171.600000112.7R400 K403 G408R400-A410 HydrophobicContact CB-CB 3.47Å; R400-A410 VanDerWaalsContact CB-CB 3.47Å; R400-A410 HydrophobicContact CG-CB 4.39Å; R400-A410 PolarHBondContact NH1-O 3.39Å; K403-A410 HydrophobicContact CG-CB 4.04Å; G408-A410 PolarHBondContact O-N 2.87Å
411F88.5Confident88.1Confident47 Ų4769.5 Ų69.521%0.20637%0.365CS..EExtended strand (participates in β ladder)trans-118.3147.8-176.4-61-92.3000111.6R400 H402 C404 K409 R413 K416 M417 H420R400-F411 CarbonylContact C-O 3.55Å; H402-F411 HydrophobicContact CB-CB 4.41Å; H402-F411 WeakPolarHBondContact CB-O 3.47Å; H402-F411 PolarHBondContact N-O 3.47Å; H402-F411 VanDerWaalsContact N-O 3.08Å; H402-F411 PolarHBondContact O-N 2.88Å; C404-F411 HydrophobicContact CB-CE2 4.23Å; K409-F411 HydrophobicContact CB-CE2 3.88Å; K409-F411 HydrophobicContact CB-CZ 4.21Å; K409-F411 VanDerWaalsContact O-CD2 3.27Å; K409-F411 WeakPolarHBondContact O-CD2 3.32Å; K409-F411 WeakPolarHBondContact O-CE2 3.33Å; F411-R413 PolarHBondContact O-N 2.98Å; F411-K416 HydrophobicContact CB-CB 4.32Å; F411-K416 HydrophobicContact CD1-CB 4.01Å; F411-K416 HydrophobicContact CG-CB 4.43Å; F411-M417 HydrophobicContact CB-CB 4.28Å; F411-M417 HydrophobicContact CD2-CB 4.03Å; F411-M417 HydrophobicContact CD2-CG 4.25Å; F411-M417 HydrophobicContact CG-CB 4.34Å; F411-H420 HydrophobicContact CE1-CB 4.22Å; F411-H420 HydrophobicContact CE2-CB 4.04Å; F411-H420 AromaticContact CE2-CD2 3.33Å; F411-H420 WeakPolarHBondContact CE2-CD2 3.47Å; F411-H420 AromaticContact CE2-CG 3.89Å; F411-H420 HydrophobicContact CZ-CB 3.64Å; F411-H420 AromaticContact CZ-CD2 3.32Å; F411-H420 WeakPolarHBondContact CZ-CD2 3.49Å; F411-H420 AromaticContact CZ-CG 3.49Å; F411-H420 VanDerWaalsContact CZ-CG 3.49Å
412L88.5Confident88.1Confident42 Ų4268.5 Ų68.522%0.2236%0.355CS..SBendtrans-71.2-17177.9-66.975.7000112.8L394 T395 R400L394-L412 WeakPolarHBondContact O-CD2 3.38Å; T395-L412 HydrophobicContact CG2-CD2 3.57Å; R400-L412 HydrophobicContact CG-CD1 3.95Å; R400-L412 HydrophobicContact CG-CG 4.33Å
413R88.7Confident88Confident94 Ų9468.1 Ų68.136%0.35536%0.36SS..SBendtrans-146.2139.8-175.6-59-168.2-79.4129.5-19.3112.9H402 F411 D415 K416 M417H402-R413 VanDerWaalsContact CD2-CA 3.42Å; H402-R413 WeakPolarHBondContact CD2-CA 3.33Å; F411-R413 PolarHBondContact O-N 2.98Å; R413-D415 VanDerWaalsContact C-N 3.3Å; R413-D415 WeakPolarHBondContact CB-OD1 3.48Å; R413-D415 IonicContact CZ-OD1 2.9Å; R413-D415 IonicContact CZ-OD2 3.94Å; R413-D415 IonicContact NE-OD1 2.59Å; R413-D415 IonicContact NH1-OD1 3.6Å; R413-D415 PolarHBondContact NH1-OD1 2.95Å; R413-D415 IonicContact NH1-OD2 2.69Å; R413-D415 PolarHBondContact NH1-OD2 3.47Å; R413-D415 PolarHBondContact O-N 3.36Å; R413-K416 HydrophobicContact CB-CG 4.48Å; R413-K416 WeakPolarHBondContact O-CB 3.45Å; R413-K416 PolarHBondContact O-N 2.99Å; R413-M417 PolarHBondContact O-N 2.94Å
414A88.1Confident87.9Confident48 Ų4863.5 Ų63.540%0.39734%0.34SS..Hα-helixtrans-55.6-38.8178.600000113.6H402 K416 M417 R418H402-A414 PolarHBondContact CD2-N 3.21Å; H402-A414 PolarHBondContact NE2-N 2.94Å; A414-K416 PolarHBondContact O-N 3.36Å; A414-K416 VanDerWaalsContact O-N 3.14Å; A414-M417 PolarHBondContact O-N 3.45Å; A414-R418 PolarHBondContact O-N 3.16Å
415D87.3Confident87.4Confident77 Ų7768.8 Ų68.841%0.41237%0.368SS..Hα-helixtrans-69.7-8.217875.1-64.2000113.8R413 L419R413-D415 VanDerWaalsContact C-N 3.3Å; R413-D415 WeakPolarHBondContact CB-OD1 3.48Å; R413-D415 IonicContact CZ-OD1 2.9Å; R413-D415 IonicContact CZ-OD2 3.94Å; R413-D415 IonicContact NE-OD1 2.59Å; R413-D415 IonicContact NH1-OD1 3.6Å; R413-D415 PolarHBondContact NH1-OD1 2.95Å; R413-D415 IonicContact NH1-OD2 2.69Å; R413-D415 PolarHBondContact NH1-OD2 3.47Å; R413-D415 PolarHBondContact O-N 3.36Å; D415-L419 WeakPolarHBondContact O-CB 3.37Å
416K87.4Confident86.9Confident71 Ų7168.8 Ų68.831%0.30936%0.359SS..Hα-helixtrans-99.9-34.3172-64.7-73.1146-69.90111.4F411 R413 A414 H420F411-K416 HydrophobicContact CB-CB 4.32Å; F411-K416 HydrophobicContact CD1-CB 4.01Å; F411-K416 HydrophobicContact CG-CB 4.43Å; R413-K416 HydrophobicContact CB-CG 4.48Å; R413-K416 WeakPolarHBondContact O-CB 3.45Å; R413-K416 PolarHBondContact O-N 2.99Å; A414-K416 PolarHBondContact O-N 3.36Å; A414-K416 VanDerWaalsContact O-N 3.14Å; K416-H420 WeakPolarHBondContact O-CB 3.35Å; K416-H420 PolarHBondContact O-N 3.2Å; K416-H420 VanDerWaalsContact O-N 3.13Å
417M91.6Very high86.5Confident39 Ų3967.9 Ų67.919%0.19236%0.358CS..Hα-helixtrans-63.7-55.5169.4-172.2-168.584.800111.7H402 K403 C404 F411 R413 A414 L419 H420 E421H402-M417 HydrophobicContact CB-CB 3.83Å; H402-M417 HydrophobicContact CB-CG 4.22Å; H402-M417 HydrophobicContact CB-SD 3.64Å; K403-M417 VanDerWaalsContact O-SD 3.34Å; C404-M417 HydrophobicContact CB-CG 4.24Å; F411-M417 HydrophobicContact CB-CB 4.28Å; F411-M417 HydrophobicContact CD2-CB 4.03Å; F411-M417 HydrophobicContact CD2-CG 4.25Å; F411-M417 HydrophobicContact CG-CB 4.34Å; R413-M417 PolarHBondContact O-N 2.94Å; A414-M417 PolarHBondContact O-N 3.45Å; M417-L419 VanDerWaalsContact C-N 3.25Å; M417-L419 PolarHBondContact O-N 2.54Å; M417-H420 CarbonylContact O-C 3.42Å; M417-H420 WeakPolarHBondContact O-CA 3.47Å; M417-H420 WeakPolarHBondContact O-CB 3.43Å; M417-H420 PolarHBondContact O-N 3.23Å; M417-E421 WeakPolarHBondContact CE-OE1 3.41Å; M417-E421 PolarHBondContact O-N 3.31Å
418R88.1Confident86.3Confident187 Ų18770.7 Ų70.771%0.70637%0.365SS*.Hα-helixtrans-59.2-35.9179.9-170.2175.5-178.4176.52112.9A414 H420 E421 I422A414-R418 PolarHBondContact O-N 3.16Å; R418-H420 VanDerWaalsContact C-N 3.32Å; R418-E421 WeakPolarHBondContact CA-OE2 3.29Å; R418-E421 PolarHBondContact O-N 2.8Å; R418-I422 WeakPolarHBondContact O-CG1 3.37Å; R418-I422 PolarHBondContact O-N 3.23Å; R418-I422 VanDerWaalsContact O-N 3.15Å
419L87.3Confident86.1Confident41 Ų4171.3 Ų71.322%0.21536%0.359CS..Hα-helixtrans-69.8-28.4174.6176.358.3000113.1D415 M417 R441D415-L419 WeakPolarHBondContact O-CB 3.37Å; M417-L419 VanDerWaalsContact C-N 3.25Å; M417-L419 PolarHBondContact O-N 2.54Å; L419-R441 HydrophobicContact CD1-CG 3.5Å; L419-R441 HydrophobicContact CD2-CG 4.4Å
420H88.5Confident86.1Confident30 Ų3069.9 Ų69.914%0.13935%0.353CS..Hα-helixtrans-79.5-32.3172173.750000112C407 F411 K416 M417 R418 I422 S423 H424C407-H420 PolarHBondContact SG-NE2 2.81Å; F411-H420 HydrophobicContact CE1-CB 4.22Å; F411-H420 HydrophobicContact CE2-CB 4.04Å; F411-H420 AromaticContact CE2-CD2 3.33Å; F411-H420 WeakPolarHBondContact CE2-CD2 3.47Å; F411-H420 AromaticContact CE2-CG 3.89Å; F411-H420 HydrophobicContact CZ-CB 3.64Å; F411-H420 AromaticContact CZ-CD2 3.32Å; F411-H420 WeakPolarHBondContact CZ-CD2 3.49Å; F411-H420 AromaticContact CZ-CG 3.49Å; F411-H420 VanDerWaalsContact CZ-CG 3.49Å; K416-H420 WeakPolarHBondContact O-CB 3.35Å; K416-H420 PolarHBondContact O-N 3.2Å; K416-H420 VanDerWaalsContact O-N 3.13Å; M417-H420 CarbonylContact O-C 3.42Å; M417-H420 WeakPolarHBondContact O-CA 3.47Å; M417-H420 WeakPolarHBondContact O-CB 3.43Å; M417-H420 PolarHBondContact O-N 3.23Å; R418-H420 VanDerWaalsContact C-N 3.32Å; H420-I422 VanDerWaalsContact C-N 3.33Å; H420-I422 PolarHBondContact O-N 2.77Å; H420-S423 PolarHBondContact ND1-OG 3.38Å; H420-S423 WeakPolarHBondContact O-CA 3.43Å; H420-S423 WeakPolarHBondContact O-CB 3.24Å; H420-S423 PolarHBondContact O-N 2.81Å; H420-S423 PolarHBondContact O-OG 2.91Å; H420-H424 AromaticContact CD2-NE2 3.1Å; H420-H424 PolarHBondContact CD2-NE2 3.04Å; H420-H424 AromaticContact CE1-CD2 3.94Å; H420-H424 AromaticContact CE1-CE1 3.95Å; H420-H424 AromaticContact CE1-NE2 2.95Å; H420-H424 PolarHBondContact CE1-NE2 2.82Å; H420-H424 AromaticContact CG-NE2 3.97Å; H420-H424 AromaticContact ND1-NE2 3.88Å; H420-H424 AromaticContact NE2-CD2 3.85Å; H420-H424 AromaticContact NE2-NE2 2.34Å; H420-H424 PolarHBondContact NE2-NE2 3.3Å; H420-H424 PolarHBondContact O-N 3.43Å
421E87.1Confident86Confident42 Ų4272.1 Ų72.120%0.19636%0.359CS..Hα-helixtrans-63.2-39.7173.2-73.3158.6168.500111.6C404 M417 R418 S423 H424 L425C404-E421 HydrophobicContact CB-CG 4.46Å; C404-E421 WeakPolarHBondContact SG-CG 3.47Å; M417-E421 WeakPolarHBondContact CE-OE1 3.41Å; M417-E421 PolarHBondContact O-N 3.31Å; R418-E421 WeakPolarHBondContact CA-OE2 3.29Å; R418-E421 PolarHBondContact O-N 2.8Å; E421-S423 PolarHBondContact O-N 3.38Å; E421-H424 WeakPolarHBondContact O-CB 3.39Å; E421-H424 PolarHBondContact O-N 3.23Å; E421-L425 PolarHBondContact O-N 3.34Å; E421-L425 VanDerWaalsContact O-N 3.16Å
422I86Confident86.1Confident52 Ų5269.9 Ų69.927%0.26735%0.349SS..Hα-helixtrans-56.4-31.2168.4-66.4166.6000111.9R418 H420R418-I422 WeakPolarHBondContact O-CG1 3.37Å; R418-I422 PolarHBondContact O-N 3.23Å; R418-I422 VanDerWaalsContact O-N 3.15Å; H420-I422 VanDerWaalsContact C-N 3.33Å; H420-I422 PolarHBondContact O-N 2.77Å
423S86Confident86.1Confident55 Ų5572.1 Ų72.139%0.38537%0.373SS..Hα-helixtrans-77-16.7176.173.40000114.7H420 E421H420-S423 PolarHBondContact ND1-OG 3.38Å; H420-S423 WeakPolarHBondContact O-CA 3.43Å; H420-S423 WeakPolarHBondContact O-CB 3.24Å; H420-S423 PolarHBondContact O-N 2.81Å; H420-S423 PolarHBondContact O-OG 2.91Å; E421-S423 PolarHBondContact O-N 3.38Å
424H86Confident86.1Confident57 Ų5772.2 Ų72.226%0.26438%0.384SS..Hα-helixtrans-83.5-38.6170.1-72-63.8000112.4C404 I406 C407 H420 E421 N426C404-H424 VanDerWaalsContact SG-CD2 3.56Å; C404-H424 PolarHBondContact SG-NE2 2.86Å; I406-H424 HydrophobicContact CB-CB 4.34Å; I406-H424 HydrophobicContact CD1-CB 3.62Å; I406-H424 HydrophobicContact CG2-CB 3.95Å; C407-H424 WeakPolarHBondContact CB-CE1 3.21Å; C407-H424 PolarHBondContact SG-CE1 3.5Å; C407-H424 PolarHBondContact SG-NE2 3.08Å; H420-H424 AromaticContact CD2-NE2 3.1Å; H420-H424 PolarHBondContact CD2-NE2 3.04Å; H420-H424 AromaticContact CE1-CD2 3.94Å; H420-H424 AromaticContact CE1-CE1 3.95Å; H420-H424 AromaticContact CE1-NE2 2.95Å; H420-H424 PolarHBondContact CE1-NE2 2.82Å; H420-H424 AromaticContact CG-NE2 3.97Å; H420-H424 AromaticContact ND1-NE2 3.88Å; H420-H424 AromaticContact NE2-CD2 3.85Å; H420-H424 AromaticContact NE2-NE2 2.34Å; H420-H424 PolarHBondContact NE2-NE2 3.3Å; H420-H424 PolarHBondContact O-N 3.43Å; E421-H424 WeakPolarHBondContact O-CB 3.39Å; E421-H424 PolarHBondContact O-N 3.23Å; H424-N426 PolarHBondContact O-N 3.05Å; H424-N426 VanDerWaalsContact O-N 3.08Å; H424-N426 PolarHBondContact O-ND2 3.39Å
425L80.7Confident86.2Confident114 Ų11472 Ų7260%0.59738%0.379SS*.SBendtrans-63.9-12.1175.8-62.8175.6000112.9E421 V427E421-L425 PolarHBondContact O-N 3.34Å; E421-L425 VanDerWaalsContact O-N 3.16Å; L425-V427 HydrophobicContact CB-CB 4.39Å; L425-V427 HydrophobicContact CB-CG2 4.05Å; L425-V427 PolarHBondContact O-N 3.02Å
426N75.4Confident86.2Confident115 Ų11575.7 Ų75.762%0.61539%0.392SS*.  trans56.5-0.4-171.4-67.2-75.9000115.2H424 K428H424-N426 PolarHBondContact O-N 3.05Å; H424-N426 VanDerWaalsContact O-N 3.08Å; H424-N426 PolarHBondContact O-ND2 3.39Å; N426-K428 PolarHBondContact O-N 3.17Å
427V77.9Confident86.2Confident80 Ų8077.5 Ų77.549%0.48540%0.401SS..  trans-63.8123.2177177.60000109.8L425 P429L425-V427 HydrophobicContact CB-CB 4.39Å; L425-V427 HydrophobicContact CB-CG2 4.05Å; L425-V427 PolarHBondContact O-N 3.02Å; V427-P429 WeakPolarHBondContact O-CD 3.26Å
428K84.1Confident86.1Confident104 Ų10481.4 Ų81.445%0.45241%0.414SS..  trans-109.893.8173-57.9-169.1-162168.70107.9N426 R438 F439 T440N426-K428 PolarHBondContact O-N 3.17Å; K428-R438 HydrophobicContact CB-CB 3.55Å; K428-R438 HydrophobicContact CD-CB 4.29Å; K428-R438 WeakPolarHBondContact CD-O 3.45Å; K428-R438 PolarHBondContact O-NE 3.23Å; K428-R438 PolarHBondContact O-NH2 2.85Å; K428-F439 CarbonylContact C-O 3.41Å; K428-F439 WeakPolarHBondContact CA-O 3.44Å; K428-T440 HydrophobicContact CG-CG2 4.06Å
429P83.5Confident86.1Confident65 Ų6574.6 Ų74.642%0.42239%0.39SS..  trans-79.8-17.1-170.929.7-33.3000113.8V427 F439V427-P429 WeakPolarHBondContact O-CD 3.26Å; P429-F439 WeakPolarHBondContact CD-O 3.44Å
430F86.4Confident86.2Confident79 Ų7974.9 Ų74.935%0.34639%0.393SS..EExtended strand (participates in β ladder)trans-99.1102.2-177.2-59.6-78.9000110.8R438 F439 R441 S442 L445F430-R438 CarbonylContact O-C 3.21Å; F430-R438 WeakPolarHBondContact O-CA 3.35Å; F430-F439 HydrophobicContact CB-CB 4.39Å; F430-F439 PolarHBondContact N-O 3.3Å; F430-F439 VanDerWaalsContact N-O 3.09Å; F430-F439 PolarHBondContact O-N 2.92Å; F430-R441 VanDerWaalsContact CD2-CA 3.47Å; F430-S442 VanDerWaalsContact CD2-N 3.35Å; F430-L445 HydrophobicContact CB-CB 4.15Å; F430-L445 HydrophobicContact CB-CD2 3.9Å
431E88.9Confident86.1Confident76 Ų7677.4 Ų77.436%0.35540%0.401SS..EExtended strand (participates in β ladder)trans-91.1143.8177.8-169.8160.313800112.5K436 R438 L445E431-K436 WeakPolarHBondContact OE1-CB 3.48Å; E431-R438 HydrophobicContact CB-CG 4.01Å; E431-R438 HydrophobicContact CG-CG 3.85Å; E431-R438 VanDerWaalsContact OE2-CD 3.24Å; E431-R438 WeakPolarHBondContact OE2-CD 3.47Å; E431-R438 WeakPolarHBondContact OE2-CG 3.22Å; E431-R438 IonicContact OE2-CZ 3.58Å; E431-R438 IonicContact OE2-NE 3.28Å; E431-R438 IonicContact OE2-NH1 2.75Å; E431-R438 PolarHBondContact OE2-NH1 2.94Å; E431-L445 WeakPolarHBondContact O-CD2 3.48Å
432C91.3Very high86.2Confident0 Ų078.7 Ų78.70%042%0.415CS..  trans-86.7117.1170.4177.50000110.9T434 C435 K436 Q437 F439 L445 H449 H452C432-T434 PolarHBondContact O-N 3.41Å; C432-C435 PolarHBondContact O-N 3.16Å; C432-K436 WeakPolarHBondContact O-CA 3.29Å; C432-K436 PolarHBondContact O-N 2.91Å; C432-Q437 WeakPolarHBondContact CB-O 3.29Å; C432-Q437 PolarHBondContact N-O 3.18Å; C432-F439 HydrophobicContact CB-CE2 4.36Å; C432-L445 HydrophobicContact CB-CD1 3.61Å; C432-H449 VanDerWaalsContact SG-CD2 3.52Å; C432-H449 PolarHBondContact SG-NE2 3.28Å; C432-H452 PolarHBondContact SG-CD2 2.97Å; C432-H452 PolarHBondContact SG-NE2 2.83Å
433A87.8Confident86.3Confident88 Ų8878.7 Ų78.773%0.72742%0.415SS*.THydrogen-bonded Turntrans-55.6-37.4178.600000113.1
434T87.9Confident86.5Confident96 Ų9679.9 Ų79.959%0.58941%0.414SS*.THydrogen-bonded Turntrans-72.8-30.9-174.3-42.40000114.2C432 H452C432-T434 PolarHBondContact O-N 3.41Å; T434-H452 HydrophobicContact CG2-CB 4.19Å
435C90.5Very high86.7Confident43 Ų4378.6 Ų78.629%0.29141%0.409SS..THydrogen-bonded Turntrans-141.29.1-174.771.80000115.3C432 Q437 H448 H452C432-C435 PolarHBondContact O-N 3.16Å; C435-Q437 PolarHBondContact O-N 3.14Å; C435-Q437 VanDerWaalsContact SG-CG 3.57Å; C435-H448 PolarHBondContact SG-NE2 2.58Å; C435-H452 WeakPolarHBondContact CB-CE1 3.21Å; C435-H452 PolarHBondContact SG-CE1 3.47Å; C435-H452 PolarHBondContact SG-NE2 3.03Å
436K87.4Confident87.2Confident155 Ų15580.6 Ų80.667%0.67441%0.413SS*.  trans56.312.8179.3-53.6-173-177.9-178.30115.3E431 C432 R438E431-K436 WeakPolarHBondContact OE1-CB 3.48Å; C432-K436 WeakPolarHBondContact O-CA 3.29Å; C432-K436 PolarHBondContact O-N 2.91Å; K436-R438 PolarHBondContact O-N 3.47Å
437Q88.4Confident87.8Confident110 Ų11077.3 Ų77.351%0.51440%0.395SS..  trans-68.4129.9172.4-72.8-63.7-30.500110.2C432 C435 F439C432-Q437 WeakPolarHBondContact CB-O 3.29Å; C432-Q437 PolarHBondContact N-O 3.18Å; C435-Q437 PolarHBondContact O-N 3.14Å; C435-Q437 VanDerWaalsContact SG-CG 3.57Å; Q437-F439 HydrophobicContact CB-CE2 3.85Å; Q437-F439 HydrophobicContact CB-CZ 4.05Å; Q437-F439 WeakPolarHBondContact O-CD2 3.33Å; Q437-F439 VanDerWaalsContact O-CE2 3.26Å; Q437-F439 WeakPolarHBondContact O-CE2 3.35Å
438R89.4Confident88.4Confident120 Ų12075 Ų7545%0.45338%0.378SS..EExtended strand (participates in β ladder)trans-103.9142.1-175.8-57.2-177.169.2121.9-10.1111.3K428 F430 E431 K436K428-R438 HydrophobicContact CB-CB 3.55Å; K428-R438 HydrophobicContact CD-CB 4.29Å; K428-R438 WeakPolarHBondContact CD-O 3.45Å; K428-R438 PolarHBondContact O-NE 3.23Å; K428-R438 PolarHBondContact O-NH2 2.85Å; F430-R438 CarbonylContact O-C 3.21Å; F430-R438 WeakPolarHBondContact O-CA 3.35Å; E431-R438 HydrophobicContact CB-CG 4.01Å; E431-R438 HydrophobicContact CG-CG 3.85Å; E431-R438 VanDerWaalsContact OE2-CD 3.24Å; E431-R438 WeakPolarHBondContact OE2-CD 3.47Å; E431-R438 WeakPolarHBondContact OE2-CG 3.22Å; E431-R438 IonicContact OE2-CZ 3.58Å; E431-R438 IonicContact OE2-NE 3.28Å; E431-R438 IonicContact OE2-NH1 2.75Å; E431-R438 PolarHBondContact OE2-NH1 2.94Å; K436-R438 PolarHBondContact O-N 3.47Å
439F88Confident88.7Confident45 Ų4573.2 Ų73.220%0.19737%0.372CS..EExtended strand (participates in β ladder)trans-126.8149.3-176.2-60.9-88.4000111.6K428 P429 F430 C432 Q437 R441 K444 L445 H448K428-F439 CarbonylContact C-O 3.41Å; K428-F439 WeakPolarHBondContact CA-O 3.44Å; P429-F439 WeakPolarHBondContact CD-O 3.44Å; F430-F439 HydrophobicContact CB-CB 4.39Å; F430-F439 PolarHBondContact N-O 3.3Å; F430-F439 VanDerWaalsContact N-O 3.09Å; F430-F439 PolarHBondContact O-N 2.92Å; C432-F439 HydrophobicContact CB-CE2 4.36Å; Q437-F439 HydrophobicContact CB-CE2 3.85Å; Q437-F439 HydrophobicContact CB-CZ 4.05Å; Q437-F439 WeakPolarHBondContact O-CD2 3.33Å; Q437-F439 VanDerWaalsContact O-CE2 3.26Å; Q437-F439 WeakPolarHBondContact O-CE2 3.35Å; F439-R441 PolarHBondContact O-N 2.85Å; F439-K444 HydrophobicContact CB-CB 4.24Å; F439-K444 HydrophobicContact CD1-CB 3.96Å; F439-K444 HydrophobicContact CG-CB 4.37Å; F439-L445 HydrophobicContact CB-CB 4.46Å; F439-L445 HydrophobicContact CD2-CB 4.16Å; F439-L445 HydrophobicContact CD2-CD1 3.97Å; F439-L445 HydrophobicContact CE2-CD1 4.22Å; F439-L445 HydrophobicContact CG-CB 4.45Å; F439-H448 HydrophobicContact CE1-CB 4.07Å; F439-H448 HydrophobicContact CE2-CB 4.06Å; F439-H448 AromaticContact CE2-CD2 3.22Å; F439-H448 WeakPolarHBondContact CE2-CD2 3.33Å; F439-H448 AromaticContact CE2-CG 3.72Å; F439-H448 AromaticContact CE2-NE2 3.89Å; F439-H448 HydrophobicContact CZ-CB 3.62Å; F439-H448 AromaticContact CZ-CD2 3.29Å; F439-H448 WeakPolarHBondContact CZ-CD2 3.44Å; F439-H448 AromaticContact CZ-CG 3.33Å; F439-H448 AromaticContact CZ-ND1 3.95Å; F439-H448 AromaticContact CZ-NE2 3.87Å
440T88Confident89Confident47 Ų4773.2 Ų73.229%0.28836%0.363SS..SBendtrans-74.3-10.8175.151.50000113.6K428K428-T440 HydrophobicContact CG-CG2 4.06Å
441R87.8Confident89.1Confident82 Ų8273.6 Ų73.631%0.30937%0.372SS..SBendtrans-148.9139.1-170-69.2171.161.7149.41.5112.6L419 F430 F439 D443 K444 L445L419-R441 HydrophobicContact CD1-CG 3.5Å; L419-R441 HydrophobicContact CD2-CG 4.4Å; F430-R441 VanDerWaalsContact CD2-CA 3.47Å; F439-R441 PolarHBondContact O-N 2.85Å; R441-D443 IonicContact CZ-OD1 2.81Å; R441-D443 IonicContact CZ-OD2 2.73Å; R441-D443 IonicContact NE-OD1 3.83Å; R441-D443 PolarHBondContact NE-OD1 2.34Å; R441-D443 IonicContact NE-OD2 3.15Å; R441-D443 VanDerWaalsContact NH2-CG 3.3Å; R441-D443 IonicContact NH2-OD1 2.71Å; R441-D443 PolarHBondContact NH2-OD1 2.95Å; R441-D443 IonicContact NH2-OD2 3.59Å; R441-D443 PolarHBondContact NH2-OD2 3.1Å; R441-D443 PolarHBondContact O-N 3.03Å; R441-K444 HydrophobicContact CB-CB 4.27Å; R441-K444 HydrophobicContact CB-CG 3.84Å; R441-K444 WeakPolarHBondContact O-CB 3.44Å; R441-K444 PolarHBondContact O-N 3.46Å; R441-K444 VanDerWaalsContact O-N 3.08Å; R441-L445 PolarHBondContact O-N 3.2Å; R441-L445 VanDerWaalsContact O-N 3.1Å
442S88.9Confident89.1Confident69 Ų6974 Ų7448%0.48337%0.373SS..Hα-helixtrans-60.6-36.5174.6540000113.6F430 K444 L445 K446F430-S442 VanDerWaalsContact CD2-N 3.35Å; S442-K444 VanDerWaalsContact C-N 3.26Å; S442-K444 PolarHBondContact O-N 2.99Å; S442-L445 PolarHBondContact O-N 3.24Å; S442-K446 WeakPolarHBondContact O-CB 3.2Å; S442-K446 PolarHBondContact O-N 2.9Å
443D87.9Confident89Confident52 Ų5278.2 Ų78.228%0.27840%0.4SS..Hα-helixtrans-66.3-28.517567.4-85.7000112.8R441 I447R441-D443 IonicContact CZ-OD1 2.81Å; R441-D443 IonicContact CZ-OD2 2.73Å; R441-D443 IonicContact NE-OD1 3.83Å; R441-D443 PolarHBondContact NE-OD1 2.34Å; R441-D443 IonicContact NE-OD2 3.15Å; R441-D443 VanDerWaalsContact NH2-CG 3.3Å; R441-D443 IonicContact NH2-OD1 2.71Å; R441-D443 PolarHBondContact NH2-OD1 2.95Å; R441-D443 IonicContact NH2-OD2 3.59Å; R441-D443 PolarHBondContact NH2-OD2 3.1Å; R441-D443 PolarHBondContact O-N 3.03Å; D443-I447 WeakPolarHBondContact O-CB 3.35Å; D443-I447 WeakPolarHBondContact O-CD1 3.33Å; D443-I447 WeakPolarHBondContact O-CG1 3.43Å; D443-I447 PolarHBondContact O-N 3.33Å
444K89.6Confident88.9Confident81 Ų8176.2 Ų76.235%0.35239%0.388SS..Hα-helixtrans-75.7-41.2175.3-58.1-59.3175.3-127.80110.8F439 R441 S442 I447 H448F439-K444 HydrophobicContact CB-CB 4.24Å; F439-K444 HydrophobicContact CD1-CB 3.96Å; F439-K444 HydrophobicContact CG-CB 4.37Å; R441-K444 HydrophobicContact CB-CB 4.27Å; R441-K444 HydrophobicContact CB-CG 3.84Å; R441-K444 WeakPolarHBondContact O-CB 3.44Å; R441-K444 PolarHBondContact O-N 3.46Å; R441-K444 VanDerWaalsContact O-N 3.08Å; S442-K444 VanDerWaalsContact C-N 3.26Å; S442-K444 PolarHBondContact O-N 2.99Å; K444-I447 PolarHBondContact O-N 2.51Å; K444-H448 VanDerWaalsContact O-CB 3.29Å; K444-H448 WeakPolarHBondContact O-CB 3.46Å; K444-H448 PolarHBondContact O-N 3.47Å
445L91.7Very high89Confident30 Ų3075.2 Ų75.216%0.15738%0.381CS..Hα-helixtrans-58.9-46.6169.7176.559.4000111.8F430 E431 C432 F439 R441 S442 I447 H448 H449F430-L445 HydrophobicContact CB-CB 4.15Å; F430-L445 HydrophobicContact CB-CD2 3.9Å; E431-L445 WeakPolarHBondContact O-CD2 3.48Å; C432-L445 HydrophobicContact CB-CD1 3.61Å; F439-L445 HydrophobicContact CB-CB 4.46Å; F439-L445 HydrophobicContact CD2-CB 4.16Å; F439-L445 HydrophobicContact CD2-CD1 3.97Å; F439-L445 HydrophobicContact CE2-CD1 4.22Å; F439-L445 HydrophobicContact CG-CB 4.45Å; R441-L445 PolarHBondContact O-N 3.2Å; R441-L445 VanDerWaalsContact O-N 3.1Å; S442-L445 PolarHBondContact O-N 3.24Å; L445-I447 PolarHBondContact O-N 3.31Å; L445-H448 CarbonylContact O-C 3.56Å; L445-H448 WeakPolarHBondContact O-CA 3.4Å; L445-H448 WeakPolarHBondContact O-CB 3.47Å; L445-H448 PolarHBondContact O-N 2.9Å; L445-H448 VanDerWaalsContact O-N 3.08Å; L445-H449 PolarHBondContact O-N 2.92Å
446K89.6Confident89Confident156 Ų15679.3 Ų79.368%0.67839%0.39SS*.Hα-helixtrans-66.5-34.7179.6-167.2164.7-173.5167.40112.9S442 H448S442-K446 WeakPolarHBondContact O-CB 3.2Å; S442-K446 PolarHBondContact O-N 2.9Å; K446-H448 VanDerWaalsContact C-N 3.34Å
447I89.6Confident89.1Confident46 Ų4674.6 Ų74.624%0.23638%0.376CS..Hα-helixtrans-69-33.3171-74.4168.2000111.5D443 K444 L445 R469D443-I447 WeakPolarHBondContact O-CB 3.35Å; D443-I447 WeakPolarHBondContact O-CD1 3.33Å; D443-I447 WeakPolarHBondContact O-CG1 3.43Å; D443-I447 PolarHBondContact O-N 3.33Å; K444-I447 PolarHBondContact O-N 2.51Å; L445-I447 PolarHBondContact O-N 3.31Å; I447-R469 HydrophobicContact CG2-CG 3.75Å
448H90.5Very high89.2Confident31 Ų3173.2 Ų73.214%0.14437%0.366CS..Hα-helixtrans-76.3-35.8176.2170.859.3000113.1C435 F439 K444 L445 K446 R450 T451 H452C435-H448 PolarHBondContact SG-NE2 2.58Å; F439-H448 HydrophobicContact CE1-CB 4.07Å; F439-H448 HydrophobicContact CE2-CB 4.06Å; F439-H448 AromaticContact CE2-CD2 3.22Å; F439-H448 WeakPolarHBondContact CE2-CD2 3.33Å; F439-H448 AromaticContact CE2-CG 3.72Å; F439-H448 AromaticContact CE2-NE2 3.89Å; F439-H448 HydrophobicContact CZ-CB 3.62Å; F439-H448 AromaticContact CZ-CD2 3.29Å; F439-H448 WeakPolarHBondContact CZ-CD2 3.44Å; F439-H448 AromaticContact CZ-CG 3.33Å; F439-H448 AromaticContact CZ-ND1 3.95Å; F439-H448 AromaticContact CZ-NE2 3.87Å; K444-H448 VanDerWaalsContact O-CB 3.29Å; K444-H448 WeakPolarHBondContact O-CB 3.46Å; K444-H448 PolarHBondContact O-N 3.47Å; L445-H448 CarbonylContact O-C 3.56Å; L445-H448 WeakPolarHBondContact O-CA 3.4Å; L445-H448 WeakPolarHBondContact O-CB 3.47Å; L445-H448 PolarHBondContact O-N 2.9Å; L445-H448 VanDerWaalsContact O-N 3.08Å; K446-H448 VanDerWaalsContact C-N 3.34Å; H448-R450 PolarHBondContact O-N 3.28Å; H448-R450 VanDerWaalsContact O-N 3.15Å; H448-T451 PolarHBondContact ND1-OG1 3.49Å; H448-T451 WeakPolarHBondContact O-CB 3.41Å; H448-T451 PolarHBondContact O-N 2.97Å; H448-T451 PolarHBondContact O-OG1 3.44Å; H448-H452 AromaticContact CD2-NE2 3.26Å; H448-H452 PolarHBondContact CD2-NE2 3.2Å; H448-H452 VanDerWaalsContact CD2-NE2 3.26Å; H448-H452 AromaticContact CE1-CE1 3.95Å; H448-H452 AromaticContact CE1-NE2 2.82Å; H448-H452 PolarHBondContact CE1-NE2 3Å; H448-H452 AromaticContact ND1-NE2 3.86Å; H448-H452 AromaticContact NE2-CD2 3.89Å; H448-H452 AromaticContact NE2-NE2 2.29Å; H448-H452 PolarHBondContact NE2-NE2 2.7Å
449H88.9Confident89.3Confident67 Ų6770 Ų7031%0.3137%0.365SS..Hα-helixtrans-57.8-30.3172.6-91.9-136.8000112.2C432 L445 T451 H452 T453C432-H449 VanDerWaalsContact SG-CD2 3.52Å; C432-H449 PolarHBondContact SG-NE2 3.28Å; L445-H449 PolarHBondContact O-N 2.92Å; H449-T451 PolarHBondContact O-N 2.98Å; H449-H452 PolarHBondContact O-N 2.92Å; H449-T453 PolarHBondContact O-N 3.4Å; H449-T453 PolarHBondContact O-OG1 3.16Å
450R90.3Very high89.5Confident65 Ų6568.3 Ų68.325%0.24536%0.359CS..Hα-helixtrans-64.4-13.2170.9-65.1-179.6177.4175.6-2.7114.7H448 G454 T468H448-R450 PolarHBondContact O-N 3.28Å; H448-R450 VanDerWaalsContact O-N 3.15Å; R450-G454 PolarHBondContact O-N 2.92Å; R450-T468 HydrophobicContact CB-CG2 4.26Å; R450-T468 PolarHBondContact NH1-O 3.48Å
451T89.2Confident89.6Confident86 Ų8671.8 Ų71.853%0.52838%0.381SS..Hα-helixtrans-86.1-20.1170.766.60000112.7H448 H449H448-T451 PolarHBondContact ND1-OG1 3.49Å; H448-T451 WeakPolarHBondContact O-CB 3.41Å; H448-T451 PolarHBondContact O-N 2.97Å; H448-T451 PolarHBondContact O-OG1 3.44Å; H449-T451 PolarHBondContact O-N 2.98Å
452H88.7Confident89.6Confident84 Ų8473.8 Ų73.839%0.38939%0.392SS..Hα-helixtrans-87.4-44.7171.5-61.2-53.1000111.6C432 T434 C435 H448 H449 G454C432-H452 PolarHBondContact SG-CD2 2.97Å; C432-H452 PolarHBondContact SG-NE2 2.83Å; T434-H452 HydrophobicContact CG2-CB 4.19Å; C435-H452 WeakPolarHBondContact CB-CE1 3.21Å; C435-H452 PolarHBondContact SG-CE1 3.47Å; C435-H452 PolarHBondContact SG-NE2 3.03Å; H448-H452 AromaticContact CD2-NE2 3.26Å; H448-H452 PolarHBondContact CD2-NE2 3.2Å; H448-H452 VanDerWaalsContact CD2-NE2 3.26Å; H448-H452 AromaticContact CE1-CE1 3.95Å; H448-H452 AromaticContact CE1-NE2 2.82Å; H448-H452 PolarHBondContact CE1-NE2 3Å; H448-H452 AromaticContact ND1-NE2 3.86Å; H448-H452 AromaticContact NE2-CD2 3.89Å; H448-H452 AromaticContact NE2-NE2 2.29Å; H448-H452 PolarHBondContact NE2-NE2 2.7Å; H449-H452 PolarHBondContact O-N 2.92Å; H452-G454 VanDerWaalsContact C-N 3.25Å; H452-G454 PolarHBondContact O-N 3.46Å
453T89Confident89.7Confident90 Ų9071.8 Ų71.855%0.55238%0.378SS*.SBendtrans-79.7-2.3179.665.10000114.2H449 V455H449-T453 PolarHBondContact O-N 3.4Å; H449-T453 PolarHBondContact O-OG1 3.16Å; T453-V455 PolarHBondContact O-N 3.47Å; T453-V455 WeakPolarHBondContact OG1-CG2 3.23Å
454G86.6Confident89.8Confident46 Ų4675.6 Ų75.647%0.47441%0.405SS..  trans64.9-1.8-176.400000116R450 H452 R456R450-G454 PolarHBondContact O-N 2.92Å; H452-G454 VanDerWaalsContact C-N 3.25Å; H452-G454 PolarHBondContact O-N 3.46Å; G454-R456 WeakPolarHBondContact O-CG 3.35Å; G454-R456 PolarHBondContact O-N 3.06Å
455V88.6Confident89.8Confident75 Ų7577.8 Ų77.846%0.45542%0.415SS..  trans-65.6113.6-168.9174.10000112.4T453 P457T453-V455 PolarHBondContact O-N 3.47Å; T453-V455 WeakPolarHBondContact OG1-CG2 3.23Å; V455-P457 VanDerWaalsContact O-CD 3.29Å; V455-P457 WeakPolarHBondContact O-CD 3.39Å
456R90.2Very high89.8Confident128 Ų12883 Ų8348%0.48343%0.432SS..  trans-116.981.4-176.8-70.5162.686.4128.63.2110.6G454 Y458 R466 F467 T468G454-R456 WeakPolarHBondContact O-CG 3.35Å; G454-R456 PolarHBondContact O-N 3.06Å; R456-Y458 PolarHBondContact O-N 2.96Å; R456-R466 HydrophobicContact CB-CB 3.71Å; R456-R466 VanDerWaalsContact CZ-O 3.24Å; R456-R466 PolarHBondContact NE-O 3.11Å; R456-R466 PolarHBondContact NH2-O 3.32Å; R456-R466 PolarHBondContact O-NE 3.26Å; R456-F467 CarbonylContact C-O 3.53Å; R456-F467 VanDerWaalsContact C-O 3.31Å; R456-F467 WeakPolarHBondContact CA-O 3.26Å; R456-T468 HydrophobicContact CG-CG2 3.71Å
457P90Very high89.8Confident56 Ų5677.3 Ų77.336%0.36441%0.407SS..  trans-76-21-170.829.8-34000113.6V455 A459 F467V455-P457 VanDerWaalsContact O-CD 3.29Å; V455-P457 WeakPolarHBondContact O-CD 3.39Å; P457-A459 PolarHBondContact O-N 2.68Å; P457-F467 WeakPolarHBondContact CD-O 3.18Å
458Y91.2Very high89.8Confident81 Ų8176.6 Ų76.632%0.31841%0.405SS..EExtended strand (participates in β ladder)trans-94.496.8-176.3-52.9-74.2000110.6R456 R466 F467 R469 S470R456-Y458 PolarHBondContact O-N 2.96Å; Y458-R466 CarbonylContact O-C 3.45Å; Y458-R466 WeakPolarHBondContact O-CA 3.44Å; Y458-F467 WeakPolarHBondContact CD2-O 3.27Å; Y458-F467 PolarHBondContact N-O 3.28Å; Y458-F467 VanDerWaalsContact N-O 3.13Å; Y458-F467 PolarHBondContact O-N 2.82Å; Y458-R469 VanDerWaalsContact CD2-CA 3.5Å; Y458-R469 VanDerWaalsContact CE2-CA 3.5Å; Y458-S470 VanDerWaalsContact CD2-N 3.31Å; Y458-S470 VanDerWaalsContact CE2-N 3.35Å
459A90.5Very high89.9Confident52 Ų5279 Ų7943%0.4341%0.413SS..EExtended strand (participates in β ladder)trans-75152.517200000111.6P457 R466 L473P457-A459 PolarHBondContact O-N 2.68Å; A459-R466 HydrophobicContact CB-CG 4.19Å; A459-L473 VanDerWaalsContact O-CD2 3.23Å; A459-L473 WeakPolarHBondContact O-CD2 3.37Å
460C92.9Very high90Very high11 Ų1178.6 Ų78.67%0.07442%0.418CS..  trans-92.1138.1168.9-175.30000109.9C463 K465 L473 H476C460-C463 WeakPolarHBondContact CB-O 3.49Å; C460-K465 WeakPolarHBondContact CB-O 3.33Å; C460-K465 PolarHBondContact N-O 2.29Å; C460-L473 HydrophobicContact CB-CD1 3.65Å; C460-H476 VanDerWaalsContact SG-CD2 3.6Å
461T90Very high89.9Confident120 Ų12078.1 Ų78.174%0.73642%0.42SS*.SBendtrans-67.9-35.4177.349.10000112.6
462F87.9Confident90Very high124 Ų12477.7 Ų77.754%0.54441%0.411SS..SBendtrans-87.3-10.5-174.3-57-74.8000114.7H480 T481F462-H480 HydrophobicContact CB-CB 3.97Å; F462-H480 HydrophobicContact CD2-CB 3.82Å; F462-H480 AromaticContact CD2-CD2 3.99Å; F462-H480 HydrophobicContact CE2-CB 4.47Å; F462-H480 HydrophobicContact CG-CB 3.88Å; F462-H480 AromaticContact CG-CG 3.98Å; F462-T481 HydrophobicContact CE2-CG2 4.48Å
463C91Very high90.2Very high27 Ų2774.5 Ų74.518%0.18240%0.397CS..SBendtrans-165.7159.5177.575.90000111.7C460 K465 H476 H480C460-C463 WeakPolarHBondContact CB-O 3.49Å; C463-K465 PolarHBondContact O-N 2.71Å; C463-H476 PolarHBondContact SG-NE2 2.77Å; C463-H480 PolarHBondContact SG-NE2 3.37Å; C463-H480 VanDerWaalsContact SG-NE2 3.38Å
464P89.9Confident90.2Very high131 Ų13176.9 Ų76.985%0.85140%0.399SS*.SBendtrans-66.89.5-175.126.3-36.4000116.1R466P464-R466 PolarHBondContact O-N 3.21Å
465K89.7Confident90.3Very high128 Ų12876.8 Ų76.856%0.55739%0.388SS*.  trans-76.4107.9-178.3-66.8175.6-177.8169.50110.7C460 C463 F467C460-K465 WeakPolarHBondContact CB-O 3.33Å; C460-K465 PolarHBondContact N-O 2.29Å; C463-K465 PolarHBondContact O-N 2.71Å; K465-F467 HydrophobicContact CB-CE2 3.98Å; K465-F467 HydrophobicContact CB-CZ 4.12Å; K465-F467 WeakPolarHBondContact O-CD2 3.46Å; K465-F467 WeakPolarHBondContact O-CE2 3.49Å
466R91.4Very high90.4Very high139 Ų13974.1 Ų74.153%0.52537%0.37SS..EExtended strand (participates in β ladder)trans-87.6154.7172.3-52.2-179.976.1129.73.5111.9R456 Y458 A459 P464R456-R466 HydrophobicContact CB-CB 3.71Å; R456-R466 VanDerWaalsContact CZ-O 3.24Å; R456-R466 PolarHBondContact NE-O 3.11Å; R456-R466 PolarHBondContact NH2-O 3.32Å; R456-R466 PolarHBondContact O-NE 3.26Å; Y458-R466 CarbonylContact O-C 3.45Å; Y458-R466 WeakPolarHBondContact O-CA 3.44Å; A459-R466 HydrophobicContact CB-CG 4.19Å; P464-R466 PolarHBondContact O-N 3.21Å
467F89.8Confident90.4Very high36 Ų3670.4 Ų70.416%0.15836%0.358CS..EExtended strand (participates in β ladder)trans-133.8151-177.6-63.2-88.9000112.8R456 P457 Y458 K465 R469 K472 L473 H476R456-F467 CarbonylContact C-O 3.53Å; R456-F467 VanDerWaalsContact C-O 3.31Å; R456-F467 WeakPolarHBondContact CA-O 3.26Å; P457-F467 WeakPolarHBondContact CD-O 3.18Å; Y458-F467 WeakPolarHBondContact CD2-O 3.27Å; Y458-F467 PolarHBondContact N-O 3.28Å; Y458-F467 VanDerWaalsContact N-O 3.13Å; Y458-F467 PolarHBondContact O-N 2.82Å; K465-F467 HydrophobicContact CB-CE2 3.98Å; K465-F467 HydrophobicContact CB-CZ 4.12Å; K465-F467 WeakPolarHBondContact O-CD2 3.46Å; K465-F467 WeakPolarHBondContact O-CE2 3.49Å; F467-R469 VanDerWaalsContact C-N 3.33Å; F467-K472 HydrophobicContact CB-CB 4.41Å; F467-K472 HydrophobicContact CD1-CB 3.93Å; F467-K472 HydrophobicContact CG-CB 4.41Å; F467-L473 HydrophobicContact CB-CB 4.47Å; F467-L473 HydrophobicContact CD2-CB 4.12Å; F467-L473 HydrophobicContact CD2-CD1 4.07Å; F467-L473 HydrophobicContact CE2-CD1 4.3Å; F467-L473 HydrophobicContact CG-CB 4.46Å; F467-H476 HydrophobicContact CE1-CB 4.18Å; F467-H476 HydrophobicContact CE2-CB 3.9Å; F467-H476 AromaticContact CE2-CD2 3.33Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.38Å; F467-H476 AromaticContact CE2-CG 3.71Å; F467-H476 HydrophobicContact CZ-CB 3.53Å; F467-H476 AromaticContact CZ-CD2 3.45Å; F467-H476 VanDerWaalsContact CZ-CD2 3.45Å; F467-H476 WeakPolarHBondContact CZ-CD2 3.39Å; F467-H476 AromaticContact CZ-CG 3.37Å
468T90.4Very high90.4Very high32 Ų3271.3 Ų71.320%0.19635%0.354CS..SBendtrans-75.6-19.4177.655.40000113.7R450 R456R450-T468 HydrophobicContact CB-CG2 4.26Å; R450-T468 PolarHBondContact NH1-O 3.48Å; R456-T468 HydrophobicContact CG-CG2 3.71Å
469R91.3Very high90.2Very high81 Ų8172.8 Ų72.831%0.30637%0.367SS..SBendtrans-141.5141.8-174.9-61.3160.453.5151.5-7.9111.7I447 Y458 F467 D471 K472 L473I447-R469 HydrophobicContact CG2-CG 3.75Å; Y458-R469 VanDerWaalsContact CD2-CA 3.5Å; Y458-R469 VanDerWaalsContact CE2-CA 3.5Å; F467-R469 VanDerWaalsContact C-N 3.33Å; R469-D471 WeakPolarHBondContact CB-OD1 3.48Å; R469-D471 IonicContact CZ-OD1 3.96Å; R469-D471 IonicContact CZ-OD2 3.03Å; R469-D471 IonicContact NE-OD1 3.71Å; R469-D471 PolarHBondContact NE-OD1 2.96Å; R469-D471 IonicContact NE-OD2 2.68Å; R469-D471 VanDerWaalsContact NH2-CG 3.25Å; R469-D471 IonicContact NH2-OD1 2.8Å; R469-D471 PolarHBondContact NH2-OD1 3.34Å; R469-D471 IonicContact NH2-OD2 2.64Å; R469-D471 PolarHBondContact NH2-OD2 3.41Å; R469-D471 PolarHBondContact O-N 3.01Å; R469-K472 HydrophobicContact CB-CG 4.17Å; R469-K472 PolarHBondContact O-N 3.24Å; R469-L473 PolarHBondContact O-N 2.77Å
470S91.2Very high90.1Very high58 Ų5873.5 Ų73.541%0.40636%0.361SS..Hα-helixtrans-68.5-28.2-179.6520000114.2Y458 K472 L473 K474Y458-S470 VanDerWaalsContact CD2-N 3.31Å; Y458-S470 VanDerWaalsContact CE2-N 3.35Å; S470-K472 PolarHBondContact O-N 2.89Å; S470-L473 PolarHBondContact O-N 3.44Å; S470-K474 PolarHBondContact O-N 3.08Å
471D88.5Confident89.8Confident55 Ų5576.4 Ų76.429%0.29438%0.379SS..Hα-helixtrans-65.5-30172.970.5-68.3000112.2R469 I475R469-D471 WeakPolarHBondContact CB-OD1 3.48Å; R469-D471 IonicContact CZ-OD1 3.96Å; R469-D471 IonicContact CZ-OD2 3.03Å; R469-D471 IonicContact NE-OD1 3.71Å; R469-D471 PolarHBondContact NE-OD1 2.96Å; R469-D471 IonicContact NE-OD2 2.68Å; R469-D471 VanDerWaalsContact NH2-CG 3.25Å; R469-D471 IonicContact NH2-OD1 2.8Å; R469-D471 PolarHBondContact NH2-OD1 3.34Å; R469-D471 IonicContact NH2-OD2 2.64Å; R469-D471 PolarHBondContact NH2-OD2 3.41Å; R469-D471 PolarHBondContact O-N 3.01Å; D471-I475 WeakPolarHBondContact O-CB 3.44Å; D471-I475 WeakPolarHBondContact O-CD1 3.39Å; D471-I475 VanDerWaalsContact O-CG1 3.23Å; D471-I475 WeakPolarHBondContact O-CG1 3.43Å; D471-I475 PolarHBondContact O-N 2.79Å; D471-I475 VanDerWaalsContact O-N 3.14Å
472K90.6Very high89.5Confident77 Ų7775.1 Ų75.134%0.33536%0.363SS..Hα-helixtrans-77.6-35.2176.8-56.6-51-178.5-143.30111.7F467 R469 S470 H476F467-K472 HydrophobicContact CB-CB 4.41Å; F467-K472 HydrophobicContact CD1-CB 3.93Å; F467-K472 HydrophobicContact CG-CB 4.41Å; R469-K472 HydrophobicContact CB-CG 4.17Å; R469-K472 PolarHBondContact O-N 3.24Å; S470-K472 PolarHBondContact O-N 2.89Å; K472-H476 WeakPolarHBondContact O-CB 3.27Å; K472-H476 PolarHBondContact O-N 2.88Å
473L92.6Very high89.3Confident18 Ų1873 Ų739%0.09436%0.359CS..Hα-helixtrans-60.3-53.3168.317360000111.1A459 C460 F467 R469 S470 I475 H476 E477A459-L473 VanDerWaalsContact O-CD2 3.23Å; A459-L473 WeakPolarHBondContact O-CD2 3.37Å; C460-L473 HydrophobicContact CB-CD1 3.65Å; F467-L473 HydrophobicContact CB-CB 4.47Å; F467-L473 HydrophobicContact CD2-CB 4.12Å; F467-L473 HydrophobicContact CD2-CD1 4.07Å; F467-L473 HydrophobicContact CE2-CD1 4.3Å; F467-L473 HydrophobicContact CG-CB 4.46Å; R469-L473 PolarHBondContact O-N 2.77Å; S470-L473 PolarHBondContact O-N 3.44Å; L473-I475 PolarHBondContact O-N 3.19Å; L473-H476 CarbonylContact O-C 3.51Å; L473-H476 WeakPolarHBondContact O-CA 3.36Å; L473-H476 WeakPolarHBondContact O-CB 3.49Å; L473-H476 PolarHBondContact O-N 2.82Å; L473-E477 HydrophobicContact CD1-CG 3.85Å; L473-E477 WeakPolarHBondContact CD1-OE1 3.36Å; L473-E477 HydrophobicContact CG-CG 4.24Å; L473-E477 VanDerWaalsContact CG-OE1 3.26Å; L473-E477 WeakPolarHBondContact CG-OE1 3.42Å; L473-E477 WeakPolarHBondContact O-CG 3.36Å; L473-E477 PolarHBondContact O-N 3.2Å
474K90Very high89.1Confident140 Ų14075.8 Ų75.861%0.60937%0.369SS*.Hα-helixtrans-61.4-28.6179.8-69.4-166.5175.3-163.70114.6S470 E477 R478S470-K474 PolarHBondContact O-N 3.08Å; K474-E477 WeakPolarHBondContact CA-OE2 3.39Å; K474-R478 WeakPolarHBondContact O-CG 3.48Å
475I88.9Confident89Confident44 Ų4472.8 Ų72.823%0.22635%0.349CS..Hα-helixtrans-75.2-29.5172.2-74.6169.3000111.8D471 L473 R497D471-I475 WeakPolarHBondContact O-CB 3.44Å; D471-I475 WeakPolarHBondContact O-CD1 3.39Å; D471-I475 VanDerWaalsContact O-CG1 3.23Å; D471-I475 WeakPolarHBondContact O-CG1 3.43Å; D471-I475 PolarHBondContact O-N 2.79Å; D471-I475 VanDerWaalsContact O-N 3.14Å; L473-I475 PolarHBondContact O-N 3.19Å; I475-R497 HydrophobicContact CG2-CG 3.77Å
476H90.4Very high88.9Confident18 Ų1869.8 Ų69.88%0.08334%0.335CS..Hα-helixtrans-79.2-38.5176.2173.456.6000112.9C460 C463 F467 K472 L473 R478 I479 H480C460-H476 VanDerWaalsContact SG-CD2 3.6Å; C463-H476 PolarHBondContact SG-NE2 2.77Å; F467-H476 HydrophobicContact CE1-CB 4.18Å; F467-H476 HydrophobicContact CE2-CB 3.9Å; F467-H476 AromaticContact CE2-CD2 3.33Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.38Å; F467-H476 AromaticContact CE2-CG 3.71Å; F467-H476 HydrophobicContact CZ-CB 3.53Å; F467-H476 AromaticContact CZ-CD2 3.45Å; F467-H476 VanDerWaalsContact CZ-CD2 3.45Å; F467-H476 WeakPolarHBondContact CZ-CD2 3.39Å; F467-H476 AromaticContact CZ-CG 3.37Å; K472-H476 WeakPolarHBondContact O-CB 3.27Å; K472-H476 PolarHBondContact O-N 2.88Å; L473-H476 CarbonylContact O-C 3.51Å; L473-H476 WeakPolarHBondContact O-CA 3.36Å; L473-H476 WeakPolarHBondContact O-CB 3.49Å; L473-H476 PolarHBondContact O-N 2.82Å; H476-R478 PolarHBondContact O-N 3.39Å; H476-I479 WeakPolarHBondContact O-CB 3.42Å; H476-I479 WeakPolarHBondContact O-CG1 3.45Å; H476-I479 PolarHBondContact O-N 3.4Å; H476-H480 AromaticContact CD2-NE2 3.88Å; H476-H480 AromaticContact CE1-NE2 3.3Å; H476-H480 PolarHBondContact CE1-NE2 3.15Å; H476-H480 VanDerWaalsContact CE1-NE2 3.3Å; H476-H480 AromaticContact NE2-CD2 3.78Å; H476-H480 AromaticContact NE2-NE2 3.02Å; H476-H480 PolarHBondContact NE2-NE2 3.17Å
477E90.4Very high88.9Confident51 Ų5168.9 Ų68.924%0.23834%0.336CS..Hα-helixtrans-56.7-35.2176.4-71.7163.7164.500112.1L473 K474 I479 H480 T481L473-E477 HydrophobicContact CD1-CG 3.85Å; L473-E477 WeakPolarHBondContact CD1-OE1 3.36Å; L473-E477 HydrophobicContact CG-CG 4.24Å; L473-E477 VanDerWaalsContact CG-OE1 3.26Å; L473-E477 WeakPolarHBondContact CG-OE1 3.42Å; L473-E477 WeakPolarHBondContact O-CG 3.36Å; L473-E477 PolarHBondContact O-N 3.2Å; K474-E477 WeakPolarHBondContact CA-OE2 3.39Å; E477-I479 PolarHBondContact O-N 2.89Å; E477-I479 VanDerWaalsContact O-N 3.14Å; E477-H480 PolarHBondContact O-N 2.92Å; E477-T481 PolarHBondContact O-N 2.76Å; E477-T481 PolarHBondContact O-OG1 3.09Å
478R89.3Confident88.9Confident74 Ų7467.1 Ų67.128%0.27933%0.329SS..Hα-helixtrans-61.2-17.3172.8-68.3174.3-175-165.3-4.3114.8K474 H476 K482 V483 Y486 A496K474-R478 WeakPolarHBondContact O-CG 3.48Å; H476-R478 PolarHBondContact O-N 3.39Å; R478-K482 CarbonylContact O-C 3.48Å; R478-K482 WeakPolarHBondContact O-CA 3.47Å; R478-K482 PolarHBondContact O-N 3.31Å; R478-V483 PolarHBondContact O-N 3.1Å; R478-Y486 VanDerWaalsContact NH1-CE2 3.27Å; R478-Y486 PolarHBondContact NH1-OH 2.75Å; R478-A496 HydrophobicContact CB-CB 4.39Å; R478-A496 WeakPolarHBondContact CD-O 3.49Å; R478-A496 PolarHBondContact NH1-O 3.36Å
479I88Confident88.8Confident113 Ų11370.2 Ų70.258%0.57935%0.352SS*.Hα-helixtrans-77-39.4174.2-53.6178.9000109.6H476 E477H476-I479 WeakPolarHBondContact O-CB 3.42Å; H476-I479 WeakPolarHBondContact O-CG1 3.45Å; H476-I479 PolarHBondContact O-N 3.4Å; E477-I479 PolarHBondContact O-N 2.89Å; E477-I479 VanDerWaalsContact O-N 3.14Å
480H87.4Confident88.6Confident66 Ų6672.1 Ų72.131%0.30636%0.364SS..Hα-helixtrans-72.5-47.1177.3-62-67.7000111.8F462 C463 H476 E477 K482F462-H480 HydrophobicContact CB-CB 3.97Å; F462-H480 HydrophobicContact CD2-CB 3.82Å; F462-H480 AromaticContact CD2-CD2 3.99Å; F462-H480 HydrophobicContact CE2-CB 4.47Å; F462-H480 HydrophobicContact CG-CB 3.88Å; F462-H480 AromaticContact CG-CG 3.98Å; C463-H480 PolarHBondContact SG-NE2 3.37Å; C463-H480 VanDerWaalsContact SG-NE2 3.38Å; H476-H480 AromaticContact CD2-NE2 3.88Å; H476-H480 AromaticContact CE1-NE2 3.3Å; H476-H480 PolarHBondContact CE1-NE2 3.15Å; H476-H480 VanDerWaalsContact CE1-NE2 3.3Å; H476-H480 AromaticContact NE2-CD2 3.78Å; H476-H480 AromaticContact NE2-NE2 3.02Å; H476-H480 PolarHBondContact NE2-NE2 3.17Å; E477-H480 PolarHBondContact O-N 2.92Å; H480-K482 PolarHBondContact O-N 3.13Å
481T86.7Confident88.6Confident73 Ų7371.8 Ų71.845%0.44836%0.361SS..SBendtrans-73.7-4.8176.665.50000113.5F462 E477 V483F462-T481 HydrophobicContact CE2-CG2 4.48Å; E477-T481 PolarHBondContact O-N 2.76Å; E477-T481 PolarHBondContact O-OG1 3.09Å; T481-V483 WeakPolarHBondContact O-CG2 3.42Å; T481-V483 PolarHBondContact O-N 3.02Å; T481-V483 WeakPolarHBondContact OG1-CG2 3.35Å
482K83.2Confident88.5Confident93 Ų9371 Ų7140%0.40437%0.366SS..  trans57.36-176.1-57.9171.8-177.4176.50114.9R478 H480 K484 C735 S736R478-K482 CarbonylContact O-C 3.48Å; R478-K482 WeakPolarHBondContact O-CA 3.47Å; R478-K482 PolarHBondContact O-N 3.31Å; H480-K482 PolarHBondContact O-N 3.13Å; K482-K484 PolarHBondContact O-N 3.48Å; K482-C735 HydrophobicContact CD-CB 3.84Å; K482-C735 HydrophobicContact CG-CB 4.48Å; K482-S736 PolarHBondContact NZ-OG 3.24Å
483V84.7Confident88.4Confident78 Ų7873.1 Ų73.147%0.47338%0.375SS..  trans-68.9122.6-174.5178.50000111.7R478 T481 P485R478-V483 PolarHBondContact O-N 3.1Å; T481-V483 WeakPolarHBondContact O-CG2 3.42Å; T481-V483 PolarHBondContact O-N 3.02Å; T481-V483 WeakPolarHBondContact OG1-CG2 3.35Å; V483-P485 HydrophobicContact CG1-CB 4.46Å; V483-P485 WeakPolarHBondContact O-CD 3.33Å
484K86.9Confident88.3Confident86 Ų8675 Ų7537%0.37439%0.388SS..  trans-118.375.3-176.5-71.7166170.6-175.80111.5K482 Y486 C494 F495 N734K482-K484 PolarHBondContact O-N 3.48Å; K484-Y486 VanDerWaalsContact C-N 3.25Å; K484-Y486 PolarHBondContact O-N 3.19Å; K484-Y486 VanDerWaalsContact O-N 3.13Å; K484-C494 HydrophobicContact CB-CB 3.76Å; K484-F495 CarbonylContact C-O 3.47Å; K484-F495 WeakPolarHBondContact CA-O 3.42Å; K484-N734 PolarHBondContact NZ-OD1 3.08Å
485P88Confident88.2Confident68 Ų6870.7 Ų70.744%0.44237%0.37SS..  trans-84.215.7-165.136.9-36.9000114.7V483 F495V483-P485 HydrophobicContact CG1-CB 4.46Å; V483-P485 WeakPolarHBondContact O-CD 3.33Å; P485-F495 WeakPolarHBondContact CD-O 3.35Å
486Y88.4Confident88.1Confident65 Ų6569.9 Ų69.926%0.25537%0.37SS..EExtended strand (participates in β ladder)trans-127.689.1179.2-52.6-72.3000110.6R478 K484 F495 R497 S498R478-Y486 VanDerWaalsContact NH1-CE2 3.27Å; R478-Y486 PolarHBondContact NH1-OH 2.75Å; K484-Y486 VanDerWaalsContact C-N 3.25Å; K484-Y486 PolarHBondContact O-N 3.19Å; K484-Y486 VanDerWaalsContact O-N 3.13Å; Y486-F495 WeakPolarHBondContact CD2-O 3.49Å; Y486-F495 PolarHBondContact N-O 3.15Å; Y486-F495 VanDerWaalsContact N-O 3.12Å; Y486-F495 PolarHBondContact O-N 3.18Å; Y486-R497 VanDerWaalsContact CD2-CA 3.48Å; Y486-S498 VanDerWaalsContact CE2-N 3.3Å
487E89.4Confident88.1Confident120 Ų12073.1 Ų73.156%0.56138%0.381SS*.EExtended strand (participates in β ladder)trans-74.6135.6172.9-173.8-179.7168.900112G492 R501E487-G492 WeakPolarHBondContact OE1-CA 3.46Å; E487-R501 VanDerWaalsContact C-CD 3.47Å; E487-R501 WeakPolarHBondContact O-CD 3.39Å
488C91.7Very high88.1Confident0 Ų073.6 Ų73.60%039%0.39CS..EExtended strand (participates in β ladder)trans-84.5115.2175.1-178.20000111.8H490 C491 G492 K493 F495 R501C488-H490 PolarHBondContact O-N 3.45Å; C488-C491 PolarHBondContact O-N 3.27Å; C488-G492 PolarHBondContact O-N 3.02Å; C488-K493 WeakPolarHBondContact CB-O 3.47Å; C488-K493 PolarHBondContact N-O 3.07Å; C488-F495 HydrophobicContact CB-CE2 4.19Å; C488-R501 HydrophobicContact CB-CG 3.98Å
489S88.4Confident88.1Confident96 Ų9671.9 Ų71.967%0.67139%0.387SS*.THydrogen-bonded Turntrans-48.9-31.9-178.249.70000115.6
490H86.6Confident88.2Confident122 Ų12270 Ų7057%0.56538%0.375SS*.THydrogen-bonded Turntrans-85.1-9.7-176.2-61.4-70.9000114.7C488 H508C488-H490 PolarHBondContact O-N 3.45Å; H490-H508 HydrophobicContact CB-CB 4.24Å
491C90.2Very high88.5Confident51 Ų5170.7 Ų70.735%0.34537%0.374SS..THydrogen-bonded Turntrans-163.716.3-174.568.10000116.8C488 K493 H504 H508C488-C491 PolarHBondContact O-N 3.27Å; C491-K493 PolarHBondContact O-N 3.43Å; C491-H504 PolarHBondContact SG-NE2 3.42Å; C491-H508 VanDerWaalsContact SG-CE1 3.52Å; C491-H508 PolarHBondContact SG-NE2 2.96Å
492G87.3Confident88.7Confident38 Ų3872 Ų7239%0.39237%0.371SS..THydrogen-bonded Turntrans65.85.1177.400000116.3E487 C488 C494E487-G492 WeakPolarHBondContact OE1-CA 3.46Å; C488-G492 PolarHBondContact O-N 3.02Å; G492-C494 PolarHBondContact O-N 3.18Å
493K88.5Confident89Confident122 Ų12270.8 Ų70.853%0.5337%0.369SS..EExtended strand (participates in β ladder)trans-75116.8-176.3-75.1176.5-178.1167.80111.2C488 C491 F495C488-K493 WeakPolarHBondContact CB-O 3.47Å; C488-K493 PolarHBondContact N-O 3.07Å; C491-K493 PolarHBondContact O-N 3.43Å; K493-F495 HydrophobicContact CB-CE2 3.8Å; K493-F495 HydrophobicContact CB-CZ 4.17Å; K493-F495 WeakPolarHBondContact O-CD2 3.39Å; K493-F495 WeakPolarHBondContact O-CE2 3.12Å
494C89.3Confident89.3Confident56 Ų5668.6 Ų68.638%0.37835%0.353SS..EExtended strand (participates in β ladder)trans-88.9133.1-178.6-64.70000113.2K484 G492K484-C494 HydrophobicContact CB-CB 3.76Å; G492-C494 PolarHBondContact O-N 3.18Å
495F88.3Confident89.4Confident50 Ų5066 Ų6622%0.21934%0.343CS..EExtended strand (participates in β ladder)trans-121.8146.5-179.2-62.5-94.1000112.2K484 P485 Y486 C488 K493 R497 K500 R501 H504K484-F495 CarbonylContact C-O 3.47Å; K484-F495 WeakPolarHBondContact CA-O 3.42Å; P485-F495 WeakPolarHBondContact CD-O 3.35Å; Y486-F495 WeakPolarHBondContact CD2-O 3.49Å; Y486-F495 PolarHBondContact N-O 3.15Å; Y486-F495 VanDerWaalsContact N-O 3.12Å; Y486-F495 PolarHBondContact O-N 3.18Å; C488-F495 HydrophobicContact CB-CE2 4.19Å; K493-F495 HydrophobicContact CB-CE2 3.8Å; K493-F495 HydrophobicContact CB-CZ 4.17Å; K493-F495 WeakPolarHBondContact O-CD2 3.39Å; K493-F495 WeakPolarHBondContact O-CE2 3.12Å; F495-R497 PolarHBondContact O-N 2.87Å; F495-K500 HydrophobicContact CB-CB 4.39Å; F495-K500 HydrophobicContact CD1-CB 3.84Å; F495-K500 HydrophobicContact CG-CB 4.39Å; F495-R501 HydrophobicContact CB-CB 4.19Å; F495-R501 HydrophobicContact CD2-CB 3.8Å; F495-R501 HydrophobicContact CD2-CG 3.95Å; F495-R501 HydrophobicContact CE2-CG 4.47Å; F495-R501 HydrophobicContact CG-CB 4.16Å; F495-H504 HydrophobicContact CE1-CB 4.26Å; F495-H504 HydrophobicContact CE2-CB 4.06Å; F495-H504 AromaticContact CE2-CD2 3.48Å; F495-H504 VanDerWaalsContact CE2-CD2 3.48Å; F495-H504 WeakPolarHBondContact CE2-CD2 3.45Å; F495-H504 HydrophobicContact CZ-CB 3.61Å; F495-H504 AromaticContact CZ-CD2 3.4Å; F495-H504 WeakPolarHBondContact CZ-CD2 3.15Å; F495-H504 AromaticContact CZ-CG 3.58Å
496A88.3Confident89.5Confident28 Ų2867.9 Ų67.923%0.23134%0.344CS..SBendtrans-69.6-16.7174.400000113.9R478R478-A496 HydrophobicContact CB-CB 4.39Å; R478-A496 WeakPolarHBondContact CD-O 3.49Å; R478-A496 PolarHBondContact NH1-O 3.36Å
497R89.7Confident89.4Confident85 Ų8568.4 Ų68.432%0.32135%0.354SS..SBendtrans-139.8138.3-174.8-62.4167.754.9154.3-10112.1I475 Y486 F495 D499 K500 R501I475-R497 HydrophobicContact CG2-CG 3.77Å; Y486-R497 VanDerWaalsContact CD2-CA 3.48Å; F495-R497 PolarHBondContact O-N 2.87Å; R497-D499 VanDerWaalsContact CB-OD1 3.28Å; R497-D499 WeakPolarHBondContact CB-OD1 3.48Å; R497-D499 IonicContact CZ-OD1 2.82Å; R497-D499 VanDerWaalsContact CZ-OD1 3.31Å; R497-D499 IonicContact CZ-OD2 3.32Å; R497-D499 IonicContact NE-OD1 3.41Å; R497-D499 PolarHBondContact NE-OD1 3.41Å; R497-D499 IonicContact NE-OD2 3.04Å; R497-D499 PolarHBondContact NE-OD2 2.83Å; R497-D499 IonicContact NH2-OD1 3.7Å; R497-D499 PolarHBondContact NH2-OD1 2.9Å; R497-D499 IonicContact NH2-OD2 3.63Å; R497-D499 PolarHBondContact NH2-OD2 3.04Å; R497-D499 PolarHBondContact O-N 2.87Å; R497-K500 HydrophobicContact CB-CB 4.45Å; R497-K500 HydrophobicContact CB-CG 4.18Å; R497-K500 PolarHBondContact O-N 2.93Å; R497-K500 VanDerWaalsContact O-N 3.14Å; R497-R501 PolarHBondContact O-N 3.49Å; R497-R501 VanDerWaalsContact O-N 3.13Å
498S89.6Confident89.2Confident61 Ų6165.9 Ų65.943%0.42734%0.342SS..Hα-helixtrans-67.2-30.5-179.650.90000113.4Y486 K500 R501 R502Y486-S498 VanDerWaalsContact CE2-N 3.3Å; S498-K500 VanDerWaalsContact C-N 3.3Å; S498-K500 PolarHBondContact O-N 3.36Å; S498-R501 PolarHBondContact O-N 3.26Å; S498-R502 WeakPolarHBondContact O-CB 3.45Å; S498-R502 PolarHBondContact O-N 2.9Å
499D89.4Confident88.5Confident38 Ų3873.1 Ų73.120%0.20338%0.378CS..Hα-helixtrans-64.9-34.9172.565.7-75.3000112.1R497 R502 L503 F580R497-D499 VanDerWaalsContact CB-OD1 3.28Å; R497-D499 WeakPolarHBondContact CB-OD1 3.48Å; R497-D499 IonicContact CZ-OD1 2.82Å; R497-D499 VanDerWaalsContact CZ-OD1 3.31Å; R497-D499 IonicContact CZ-OD2 3.32Å; R497-D499 IonicContact NE-OD1 3.41Å; R497-D499 PolarHBondContact NE-OD1 3.41Å; R497-D499 IonicContact NE-OD2 3.04Å; R497-D499 PolarHBondContact NE-OD2 2.83Å; R497-D499 IonicContact NH2-OD1 3.7Å; R497-D499 PolarHBondContact NH2-OD1 2.9Å; R497-D499 IonicContact NH2-OD2 3.63Å; R497-D499 PolarHBondContact NH2-OD2 3.04Å; R497-D499 PolarHBondContact O-N 2.87Å; D499-R502 PolarHBondContact O-N 3.13Å; D499-L503 WeakPolarHBondContact O-CB 3.47Å; D499-L503 PolarHBondContact O-N 2.96Å; D499-F580 HydrophobicContact CB-CE2 4.08Å; D499-F580 HydrophobicContact CB-CZ 3.87Å; D499-F580 WeakPolarHBondContact O-CZ 3.41Å
500K90.4Very high87.8Confident75 Ų7577.2 Ų77.233%0.32638%0.38SS..Hα-helixtrans-74.4-38.8177.4-60.8-55.7-178.7-178.80111.8F495 R497 S498 H504F495-K500 HydrophobicContact CB-CB 4.39Å; F495-K500 HydrophobicContact CD1-CB 3.84Å; F495-K500 HydrophobicContact CG-CB 4.39Å; R497-K500 HydrophobicContact CB-CB 4.45Å; R497-K500 HydrophobicContact CB-CG 4.18Å; R497-K500 PolarHBondContact O-N 2.93Å; R497-K500 VanDerWaalsContact O-N 3.14Å; S498-K500 VanDerWaalsContact C-N 3.3Å; S498-K500 PolarHBondContact O-N 3.36Å; K500-H504 WeakPolarHBondContact O-CB 3.39Å; K500-H504 PolarHBondContact O-N 2.99Å; K500-H504 VanDerWaalsContact O-N 3.14Å
501R93.2Very high86.6Confident79 Ų7972.9 Ų72.930%0.29837%0.368SS..Hα-helixtrans-57.6-50.3168-168-161.264.6172.227.9111.3E487 C488 F495 R497 S498 L503 H504 E505E487-R501 VanDerWaalsContact C-CD 3.47Å; E487-R501 WeakPolarHBondContact O-CD 3.39Å; C488-R501 HydrophobicContact CB-CG 3.98Å; F495-R501 HydrophobicContact CB-CB 4.19Å; F495-R501 HydrophobicContact CD2-CB 3.8Å; F495-R501 HydrophobicContact CD2-CG 3.95Å; F495-R501 HydrophobicContact CE2-CG 4.47Å; F495-R501 HydrophobicContact CG-CB 4.16Å; R497-R501 PolarHBondContact O-N 3.49Å; R497-R501 VanDerWaalsContact O-N 3.13Å; S498-R501 PolarHBondContact O-N 3.26Å; R501-L503 PolarHBondContact O-N 3.21Å; R501-H504 CarbonylContact O-C 3.46Å; R501-H504 WeakPolarHBondContact O-CA 3.49Å; R501-H504 WeakPolarHBondContact O-CB 3.26Å; R501-H504 PolarHBondContact O-N 3.16Å; R501-E505 WeakPolarHBondContact CD-OE1 3.32Å; R501-E505 IonicContact CZ-OE1 3.31Å; R501-E505 IonicContact NE-OE1 2.77Å; R501-E505 PolarHBondContact NE-OE1 2.9Å; R501-E505 IonicContact NH2-OE1 2.99Å; R501-E505 PolarHBondContact NH2-OE1 3.49Å; R501-E505 IonicContact NH2-OE2 3.49Å; R501-E505 WeakPolarHBondContact O-CG 3.41Å; R501-E505 PolarHBondContact O-N 3.32Å
502R90.7Very high85.2Confident101 Ų10176.6 Ų76.638%0.38139%0.392SS..Hα-helixtrans-70.6-30.5-176.8-174.5165.6177.2-140.6-3.3114.7S498 D499 H504 E505 K506S498-R502 WeakPolarHBondContact O-CB 3.45Å; S498-R502 PolarHBondContact O-N 2.9Å; D499-R502 PolarHBondContact O-N 3.13Å; R502-H504 PolarHBondContact O-N 3.4Å; R502-E505 VanDerWaalsContact CA-OE2 3.27Å; R502-E505 WeakPolarHBondContact CA-OE2 3.39Å; R502-E505 WeakPolarHBondContact CB-OE2 3.45Å; R502-E505 WeakPolarHBondContact CG-OE2 3.44Å; R502-E505 PolarHBondContact O-N 3.15Å; R502-K506 PolarHBondContact O-N 2.88Å
503L90.7Very high83.4Confident67 Ų6783.2 Ų83.235%0.35141%0.41SS..Hα-helixtrans-65.4-32.6168.9-174.961.2000111.3D499 R501 T507 F580 I583D499-L503 WeakPolarHBondContact O-CB 3.47Å; D499-L503 PolarHBondContact O-N 2.96Å; R501-L503 PolarHBondContact O-N 3.21Å; L503-T507 PolarHBondContact O-N 3.25Å; L503-F580 HydrophobicContact CB-CE1 4.17Å; L503-F580 HydrophobicContact CB-CZ 4.14Å; L503-F580 HydrophobicContact CD1-CE1 4.31Å; L503-F580 HydrophobicContact CD2-CE1 4.34Å; L503-I583 HydrophobicContact CD2-CD1 4.28Å
504H90.1Very high81.6Confident32 Ų3283.2 Ų83.215%0.14842%0.422CS..Hα-helixtrans-78-35.3174.5179.449.3000113.5C491 F495 K500 R501 R502 K506 T507 H508C491-H504 PolarHBondContact SG-NE2 3.42Å; F495-H504 HydrophobicContact CE1-CB 4.26Å; F495-H504 HydrophobicContact CE2-CB 4.06Å; F495-H504 AromaticContact CE2-CD2 3.48Å; F495-H504 VanDerWaalsContact CE2-CD2 3.48Å; F495-H504 WeakPolarHBondContact CE2-CD2 3.45Å; F495-H504 HydrophobicContact CZ-CB 3.61Å; F495-H504 AromaticContact CZ-CD2 3.4Å; F495-H504 WeakPolarHBondContact CZ-CD2 3.15Å; F495-H504 AromaticContact CZ-CG 3.58Å; K500-H504 WeakPolarHBondContact O-CB 3.39Å; K500-H504 PolarHBondContact O-N 2.99Å; K500-H504 VanDerWaalsContact O-N 3.14Å; R501-H504 CarbonylContact O-C 3.46Å; R501-H504 WeakPolarHBondContact O-CA 3.49Å; R501-H504 WeakPolarHBondContact O-CB 3.26Å; R501-H504 PolarHBondContact O-N 3.16Å; R502-H504 PolarHBondContact O-N 3.4Å; H504-K506 PolarHBondContact O-N 3.24Å; H504-T507 WeakPolarHBondContact CA-OG1 3.4Å; H504-T507 PolarHBondContact ND1-OG1 2.94Å; H504-T507 WeakPolarHBondContact O-CA 3.45Å; H504-T507 PolarHBondContact O-N 3Å; H504-T507 PolarHBondContact O-OG1 2.89Å; H504-H508 AromaticContact CD2-NE2 3.71Å; H504-H508 AromaticContact CE1-CE1 3.7Å; H504-H508 AromaticContact CE1-NE2 3.23Å; H504-H508 PolarHBondContact CE1-NE2 3.35Å; H504-H508 AromaticContact ND1-NE2 3.97Å; H504-H508 AromaticContact NE2-CE1 3.76Å; H504-H508 AromaticContact NE2-NE2 3.04Å; H504-H508 PolarHBondContact NE2-NE2 2.96Å; H504-H508 PolarHBondContact O-CD2 2.95Å; H504-H508 PolarHBondContact O-N 3.44Å
505E89.8Confident79.6Confident32 Ų3291.9 Ų91.915%0.1545%0.447CS..Hα-helixtrans-52.6-44.4168.3-71.1161.3-175.500110.7R501 R502 T507 H508 M509R501-E505 WeakPolarHBondContact CD-OE1 3.32Å; R501-E505 IonicContact CZ-OE1 3.31Å; R501-E505 IonicContact NE-OE1 2.77Å; R501-E505 PolarHBondContact NE-OE1 2.9Å; R501-E505 IonicContact NH2-OE1 2.99Å; R501-E505 PolarHBondContact NH2-OE1 3.49Å; R501-E505 IonicContact NH2-OE2 3.49Å; R501-E505 WeakPolarHBondContact O-CG 3.41Å; R501-E505 PolarHBondContact O-N 3.32Å; R502-E505 VanDerWaalsContact CA-OE2 3.27Å; R502-E505 WeakPolarHBondContact CA-OE2 3.39Å; R502-E505 WeakPolarHBondContact CB-OE2 3.45Å; R502-E505 WeakPolarHBondContact CG-OE2 3.44Å; R502-E505 PolarHBondContact O-N 3.15Å; E505-T507 VanDerWaalsContact C-N 3.26Å; E505-T507 PolarHBondContact O-N 3.41Å; E505-H508 WeakPolarHBondContact O-CB 3.31Å; E505-H508 PolarHBondContact O-N 3.32Å; E505-M509 PolarHBondContact O-N 3.02Å
506K88.9Confident77.5Confident107 Ų10793.5 Ų93.547%0.46547%0.469SS..Hα-helixtrans-60.4-29.8172.7-69.9-173.4175.1-165.30114R502 H504 H508 M509 Y510R502-K506 PolarHBondContact O-N 2.88Å; H504-K506 PolarHBondContact O-N 3.24Å; K506-H508 VanDerWaalsContact C-N 3.26Å; K506-H508 PolarHBondContact O-N 2.98Å; K506-M509 PolarHBondContact O-N 3.46Å; K506-Y510 WeakPolarHBondContact O-CD2 3.47Å; K506-Y510 PolarHBondContact O-N 3.4Å
507T87.9Confident75.6Confident77 Ų7799 Ų9947%0.47250%0.5SS..Hα-helixtrans-72.9-17176.158.10000113.6L503 H504 E505L503-T507 PolarHBondContact O-N 3.25Å; H504-T507 WeakPolarHBondContact CA-OG1 3.4Å; H504-T507 PolarHBondContact ND1-OG1 2.94Å; H504-T507 WeakPolarHBondContact O-CA 3.45Å; H504-T507 PolarHBondContact O-N 3Å; H504-T507 PolarHBondContact O-OG1 2.89Å; E505-T507 VanDerWaalsContact C-N 3.26Å; E505-T507 PolarHBondContact O-N 3.41Å
508H84.5Confident73.4Confident66 Ų6698 Ų9831%0.30652%0.517SS..Hα-helixtrans-79-39.5168.1-62.4-68000111.3H490 C491 H504 E505 K506 Y510 G511H490-H508 HydrophobicContact CB-CB 4.24Å; C491-H508 VanDerWaalsContact SG-CE1 3.52Å; C491-H508 PolarHBondContact SG-NE2 2.96Å; H504-H508 AromaticContact CD2-NE2 3.71Å; H504-H508 AromaticContact CE1-CE1 3.7Å; H504-H508 AromaticContact CE1-NE2 3.23Å; H504-H508 PolarHBondContact CE1-NE2 3.35Å; H504-H508 AromaticContact ND1-NE2 3.97Å; H504-H508 AromaticContact NE2-CE1 3.76Å; H504-H508 AromaticContact NE2-NE2 3.04Å; H504-H508 PolarHBondContact NE2-NE2 2.96Å; H504-H508 PolarHBondContact O-CD2 2.95Å; H504-H508 PolarHBondContact O-N 3.44Å; E505-H508 WeakPolarHBondContact O-CB 3.31Å; E505-H508 PolarHBondContact O-N 3.32Å; K506-H508 VanDerWaalsContact C-N 3.26Å; K506-H508 PolarHBondContact O-N 2.98Å; H508-Y510 VanDerWaalsContact C-N 3.26Å; H508-Y510 PolarHBondContact O-N 3.08Å; H508-G511 PolarHBondContact O-N 2.84Å; H508-G511 VanDerWaalsContact O-N 3.12Å
509M77.9Confident70.9Confident152 Ų15298.3 Ų98.375%0.74953%0.529SS*.Hα-helixtrans-65.3-22.3-179.6-60.2-160.480.100115.2E505 K506E505-M509 PolarHBondContact O-N 3.02Å; K506-M509 PolarHBondContact O-N 3.46Å
510Y72Confident68.8Low182 Ų182106 Ų10671%0.71456%0.56SS**THydrogen-bonded Turntrans-10714.1176-60.2-65.2000113.2K506 H508K506-Y510 WeakPolarHBondContact O-CD2 3.47Å; K506-Y510 PolarHBondContact O-N 3.4Å; H508-Y510 VanDerWaalsContact C-N 3.26Å; H508-Y510 PolarHBondContact O-N 3.08Å
511G62Low66.4Low31 Ų31112.1 Ų112.132%0.3259%0.587SS.*  trans65.6175.2-17900000114.9H508 K513H508-G511 PolarHBondContact O-N 2.84Å; H508-G511 VanDerWaalsContact O-N 3.12Å; G511-K513 PolarHBondContact O-N 3.36Å
512P59.8Low64.1Low130 Ų130112.4 Ų112.484%0.84460%0.602SS**  trans-66.7101.4168.329.3-32.6000108.7
513K51.5Low61.9Low177 Ų177117 Ų11777%0.7762%0.624SS**  trans-48.6131.3168.9-76.8-169172.4-168.70108.8G511 R515G511-K513 PolarHBondContact O-N 3.36Å; K513-R515 PolarHBondContact O-N 3.01Å
514P49Very low59.6Low121 Ų121118.2 Ų118.279%0.78664%0.635SS**  trans-53.9130178.522.2-32.8000108.5A516P514-A516 PolarHBondContact O-N 3.46Å
515R48.5Very low57.4Low238 Ų238123.6 Ų123.690%0.89867%0.67SS**  trans-76.170.1-177.2-169.2-171-68-149.84.3109.2K513 T517K513-R515 PolarHBondContact O-N 3.01Å; R515-T517 PolarHBondContact O-N 3.44Å; R515-T517 VanDerWaalsContact O-N 3.12Å
516A44.7Very low55.1Low84 Ų84126.2 Ų126.269%0.69469%0.692SS**  trans-51.8121.3165.500000107.9P514 G518P514-A516 PolarHBondContact O-N 3.46Å; A516-G518 PolarHBondContact O-N 3.32Å
517T47.8Very low53Low144 Ų144124.2 Ų124.288%0.88370%0.695SS**  trans-71.932.1172.841.30000111.7R515 G519R515-T517 PolarHBondContact O-N 3.44Å; R515-T517 VanDerWaalsContact O-N 3.12Å; T517-G519 PolarHBondContact O-N 3.08Å
518G42.4Very low50.9Low65 Ų65125 Ų12567%0.6771%0.709SS**  trans-65.298.8172.100000109.4A516 K520A516-G518 PolarHBondContact O-N 3.32Å; G518-K520 PolarHBondContact O-N 3.37Å
519G38.2Very low49.3Very low66 Ų66127 Ų12768%0.6873%0.726SS**  trans-51.8123.2-175.600000111.5T517 K521T517-G519 PolarHBondContact O-N 3.08Å; G519-K521 PolarHBondContact O-N 2.84Å
520K45.8Very low47.6Very low199 Ų199123.1 Ų123.187%0.86572%0.718SS**  trans-61.4105.4165.8-73.9178.2-178.3170.40107.1G518 S522G518-K520 PolarHBondContact O-N 3.37Å; K520-S522 PolarHBondContact O-N 3.28Å
521K40.3Very low46.2Very low204 Ų204118.5 Ų118.589%0.88772%0.718SS**  trans-62.986.3167.1-69-173.1178-176.20108.3G519 K523G519-K521 PolarHBondContact O-N 2.84Å; K521-K523 PolarHBondContact O-N 2.73Å
522S44.7Very low45.4Very low86 Ų86120.3 Ų120.360%0.60173%0.73SS**  trans-52.5135.6165.8-680000108.2K520 T524K520-S522 PolarHBondContact O-N 3.28Å; S522-T524 PolarHBondContact O-N 2.71Å; S522-T524 PolarHBondContact O-OG1 2.97Å
523K44Very low44.6Very low197 Ų197117.6 Ų117.686%0.85772%0.719SS**  trans-75.668.6169.8-79.7-169.6169.9-171.80109.7K521K521-K523 PolarHBondContact O-N 2.73Å
524T41.6Very low44.2Very low93 Ų93113.4 Ų113.457%0.57172%0.717SS**  trans-99.873.9168.944.50000108.3S522 S526S522-T524 PolarHBondContact O-N 2.71Å; S522-T524 PolarHBondContact O-OG1 2.97Å; T524-S526 PolarHBondContact O-N 3Å
525T44.4Very low43.8Very low144 Ų144112 Ų11288%0.88372%0.716SS**THydrogen-bonded Turntrans-71.970.617246.30000109.8
526S42.2Very low43.4Very low88 Ų88104.7 Ų104.762%0.61571%0.706SS**THydrogen-bonded Turntrans-162.3-29.5179.652.80000113.7T524T524-S526 PolarHBondContact O-N 3Å
527A43.8Very low43.2Very low65 Ų65105.1 Ų105.154%0.53771%0.709SS.*SBendtrans-83.4-16.3-174.100000115.2
528A43.8Very low42.8Very low93 Ų93104.1 Ų104.177%0.76970%0.703SS**THydrogen-bonded Turntrans-79.4-18.3-171.800000114.6
529T50.3Low42.5Very low107 Ų107107 Ų10766%0.65671%0.708SS**THydrogen-bonded Turntrans-90-23.6173.838.10000112.8A531 A532 A533T529-A531 VanDerWaalsContact C-N 3.3Å; T529-A531 PolarHBondContact O-N 3.23Å; T529-A532 PolarHBondContact O-N 2.82Å; T529-A532 VanDerWaalsContact O-N 3.17Å; T529-A533 PolarHBondContact O-N 3.33Å; T529-A533 VanDerWaalsContact O-N 3.08Å
530A43.9Very low42.4Very low71 Ų71109.1 Ų109.159%0.58772%0.718SS**THydrogen-bonded Turntrans-65.1-30.1179.900000113.5
531A42.4Very low42Very low86 Ų86104.6 Ų104.671%0.71172%0.718SS**THydrogen-bonded Turntrans-85.4-12.917600000114T529T529-A531 VanDerWaalsContact C-N 3.3Å; T529-A531 PolarHBondContact O-N 3.23Å
532A44.4Very low41.9Very low68 Ų6899.1 Ų99.156%0.56271%0.711SS**THydrogen-bonded Turntrans-96-29.3178.100000112.5T529 A534T529-A532 PolarHBondContact O-N 2.82Å; T529-A532 VanDerWaalsContact O-N 3.17Å; A532-A534 VanDerWaalsContact C-N 3.3Å; A532-A534 PolarHBondContact O-N 3.14Å
533A42.2Very low41.6Very low74 Ų74100.5 Ų100.561%0.61272%0.721SS**G310 helixtrans-70.6-22.3177.600000113.8T529 A535T529-A533 PolarHBondContact O-N 3.33Å; T529-A533 VanDerWaalsContact O-N 3.08Å; A533-A535 VanDerWaalsContact C-N 3.27Å; A533-A535 PolarHBondContact O-N 3.22Å
534A42.9Very low41.2Very low88 Ų8895.7 Ų95.773%0.72772%0.718SS**G310 helixtrans-77.2-5.6-177.900000114.7A532A532-A534 VanDerWaalsContact C-N 3.3Å; A532-A534 PolarHBondContact O-N 3.14Å
535A42Very low41.2Very low93 Ų9395.7 Ų95.777%0.76973%0.727SS**G310 helixtrans-111.26.6-176.400000114.1A533A533-A535 VanDerWaalsContact C-N 3.27Å; A533-A535 PolarHBondContact O-N 3.22Å
536A40.1Very low40.9Very low84 Ų8493 Ų9369%0.69471%0.714SS**SBendtrans-11515-173.800000114
537A40.1Very low40.6Very low92 Ų9297.8 Ų97.876%0.7672%0.724SS**SBendtrans-108.213.5-174.700000114.1
538V38.6Very low40.4Very low124 Ų124101.8 Ų101.875%0.75274%0.736SS**SBendtrans-129.5147.9175.3-173.40000107.8
539V37.8Very low40.1Very low126 Ų126101.9 Ų101.976%0.76473%0.73SS**SBendtrans70.152.9-173.8-156.80000114.3
540A35.4Very low39.5Very low109 Ų109103.7 Ų103.790%0.90174%0.741SS**SBendtrans-121.417.4159.200000112.4
541A36.2Very low39.1Very low105 Ų105106.9 Ų106.987%0.86875%0.748SS**  trans-140.655.1-175.300000111.1
542A38.4Very low38.8Very low88 Ų88107.7 Ų107.773%0.72775%0.749SS**  trans-139.2122.2169.600000108.4
543S39.4Very low38.6Very low116 Ų116112.7 Ų112.781%0.81176%0.764SS**  trans-93.7144.9-170.549.60000113.4
544A35.5Very low38.3Very low96 Ų96112.5 Ų112.579%0.79377%0.77SS**  trans67.5145.8157.100000118.8
545A41Very low38.1Very low93 Ų93117.8 Ų117.877%0.76978%0.776SS**  trans64.4154.5166.100000117.4
546S39.1Very low37.8Very low86 Ų86119.6 Ų119.660%0.60178%0.778SS**  cis-172.5139.2-26.5-97.20000108.1
547F34.4Very low37.6Very low189 Ų189123.6 Ų123.683%0.82979%0.786SS**  trans64.3150.5164.1-54.7-48.8000115.8
548L40.6Very low37.3Very low150 Ų150122.1 Ų122.179%0.78578%0.781SS**  cis-153.8167.5-3.2-116.1162.2000110.2
549S37.1Very low37Very low94 Ų94124.3 Ų124.366%0.65779%0.787SS**  trans-15.1155.5152.1-1370000118.2
550V38.9Very low36.8Very low146 Ų146123.2 Ų123.289%0.88578%0.782SS**  -152.9-175.151-91.30000114.5
551N34.6Very low36.7Very low138 Ų138125.5 Ų125.574%0.73878%0.779SS**  trans-131.1142.8-149.6-157.4-16.2000113.9
552S35.4Very low36.6Very low103 Ų103127 Ų12772%0.7278%0.777SS**  trans66.6176.7146.6-77.50000122.4
553I40.8Very low36.3Very low173 Ų173129.2 Ų129.289%0.88778%0.781SS**  trans85.2132174.8-49166.6000114
554G37Very low36Very low70 Ų70128.4 Ų128.472%0.72278%0.782SS**  cis-168160.5000000115.3
555K37.2Very low35.6Very low198 Ų198130.2 Ų130.286%0.86178%0.778SS**  trans-65.3-174.7-173.4-61.3164.3176.6170.30115.4
556T36Very low35.4Very low131 Ų131131.6 Ų131.680%0.80478%0.779SS**  trans89.3141171.172.40000114.8
557L37.1Very low34.9Very low168 Ų168132.2 Ų132.288%0.8878%0.783SS**  cis-149.3169.9-9.2-116.3164.1000108.2
558G33.6Very low34.6Very low62 Ų62130.9 Ų130.964%0.63978%0.783SS**  trans-172.5162.7173.200000113.4
559L31.3Very low34Very low170 Ų170128.6 Ų128.689%0.8978%0.78SS**  trans-164.6134.1169.7-110.2163.6000111.3
560P34.8Very low33.7Very low102 Ų102130.2 Ų130.266%0.66279%0.786SS**  trans-123.8-164172.235.9-19.1000112.7
561L33.4Very low33.2Very low158 Ų158129.1 Ų129.183%0.82778%0.775SS**  trans82.3155.6172.7-45.9-178.4000113.6
562T33.7Very low33Very low136 Ų136129.5 Ų129.583%0.83478%0.777SS**  cis-140.716432.343.80000116.3
563V30.7Very low32.9Very low134 Ų134129.4 Ų129.481%0.81278%0.776SS**  trans-98.7140.1171.8171.80000110.2
564A34Very low32.6Very low99 Ų99126.5 Ų126.582%0.81877%0.771SS**  trans-109.6137.7162.800000110.1
565N28Very low32.1Very low135 Ų135128.3 Ų128.372%0.72277%0.772SS**  trans-123.5143.7-178-1543.3000107.9
566P35.6Very low31.9Very low122 Ų122122.9 Ų122.979%0.79276%0.758SS**  trans-133.3153.6131.236.5-27.5000113.6
567S28Very low31.5Very low98 Ų98122.9 Ų122.969%0.68576%0.758SS**  trans-88.1-170.7-178.8-54.10000112.5
568I29.7Very low31.2Very low162 Ų162120.8 Ų120.883%0.83174%0.742SS**  trans8599.5176.6-50.8166.9000111.4
569S27.5Very low30.9Very low102 Ų102125.8 Ų125.871%0.71375%0.754SS**  7796.562.1174.90000114.8
570V30.8Very low30.7Very low128 Ų128121.3 Ų121.378%0.77673%0.728SS**  -167170.2123.4-95.80000111.9
571N27.3Very low30.5Very low123 Ų123120.4 Ų120.466%0.65872%0.724SS**  trans23.4119.1154.762.7-9000122.5
572N31.6Very low30.4Very low145 Ų145119.3 Ų119.378%0.77573%0.729SS**  -171.6150.2102.1-101.3-30.8000116.8
573S33.4Very low30.4Very low102 Ų102117.6 Ų117.671%0.71371%0.714SS**  trans34.3107.3147.3-55.40000121.9
574S33.1Very low30.6Very low111 Ų111116.7 Ų116.778%0.77671%0.709SS**  161.672.7109.468.50000114.7S576S574-S576 VanDerWaalsContact C-N 3.35Å; S574-S576 PolarHBondContact O-N 2.87Å
575C26.3Very low30.3Very low109 Ų109118.7 Ų118.774%0.73671%0.706SS**  trans-73.876.8177.2-72.10000113.9
576S32.9Very low30.6Very low83 Ų83119 Ų11958%0.5871%0.713SS**  trans-96.7138.4163.475.40000111S574 F578S574-S576 VanDerWaalsContact C-N 3.35Å; S574-S576 PolarHBondContact O-N 2.87Å; S576-F578 PolarHBondContact O-N 3.19Å; S576-F578 VanDerWaalsContact O-N 3.1Å
577V28.5Very low30.3Very low132 Ų132116.3 Ų116.380%0.871%0.707SS**  trans-87.685.6-163.6-174.20000111.7
578F29.9Very low30.7Very low123 Ų123118.7 Ų118.754%0.53972%0.717SS.*  trans-12787.9169.3-62.4-52.4000112.7S576 F580S576-F578 PolarHBondContact O-N 3.19Å; S576-F578 VanDerWaalsContact O-N 3.1Å; F578-F580 PolarHBondContact O-N 3.17Å; F578-F580 VanDerWaalsContact O-N 3.14Å
579D27.6Very low30.8Very low167 Ų167117.7 Ų117.789%0.89372%0.719SS**  trans-67.1101.3164.3-177.810.3000108.9
580F28Very low31.1Very low77 Ų77117.9 Ų117.934%0.33872%0.72SS.*  trans-141.4151.5-174.1-126.1-81000111.1D499 L503 F578D499-F580 HydrophobicContact CB-CE2 4.08Å; D499-F580 HydrophobicContact CB-CZ 3.87Å; D499-F580 WeakPolarHBondContact O-CZ 3.41Å; L503-F580 HydrophobicContact CB-CE1 4.17Å; L503-F580 HydrophobicContact CB-CZ 4.14Å; L503-F580 HydrophobicContact CD1-CE1 4.31Å; L503-F580 HydrophobicContact CD2-CE1 4.34Å; F578-F580 PolarHBondContact O-N 3.17Å; F578-F580 VanDerWaalsContact O-N 3.14Å
581S31.3Very low31.1Very low82 Ų82120.8 Ų120.857%0.57373%0.725SS**  trans66.374.1165.6-59.20000117.8I583S581-I583 VanDerWaalsContact C-N 3.3Å; S581-I583 PolarHBondContact O-N 3.28Å
582S29.9Very low31.3Very low135 Ų135119.5 Ų119.594%0.94473%0.726SS**  -81.186.7124.8-53.20000108.5
583I33.1Very low31.2Very low100 Ų100119.9 Ų119.951%0.51373%0.728SS.*  trans-133.7134.2165.9-61.7-178.7000106.4L503 S581L503-I583 HydrophobicContact CD2-CD1 4.28Å; S581-I583 VanDerWaalsContact C-N 3.3Å; S581-I583 PolarHBondContact O-N 3.28Å
584T35.3Very low31.1Very low115 Ų115119.6 Ų119.671%0.70673%0.732SS**  trans-103.4154.2-166.342.50000113.7
585N29Very low31Very low141 Ų141120.8 Ų120.875%0.75474%0.738SS**  trans68149.2172.1-47.5-33.5000114.1
586V33.6Very low30.9Very low143 Ų143124.6 Ų124.687%0.86774%0.743SS**  cis-133.5152.211.7-179.90000106.8
587G29.4Very low31Very low65 Ų65126 Ų12667%0.6775%0.753SS**  cis139.6117.11.600000110.7
588T35.5Very low31.2Very low148 Ų148123 Ų12391%0.90874%0.738SS**  trans-148160.2179.4210000110.1
589T31.8Very low31.2Very low140 Ų140126.9 Ų126.986%0.85975%0.75SS**  trans-128.6118.8-157.648.30000115.9
590S35.2Very low31.3Very low107 Ų107126.1 Ų126.175%0.74874%0.741SS**  trans-169.8125.1149.540.10000106.1
591Q31.1Very low31.2Very low189 Ų189128.1 Ų128.188%0.88376%0.755SS**  52.1120.884.2-65.3-1743.200112.4
592S31.7Very low31Very low96 Ų96129.8 Ų129.867%0.67176%0.762SS**  cis-162.1159.53.359.10000114.9
593N29.4Very low30.9Very low153 Ų153128.5 Ų128.582%0.81875%0.753SS**  trans78.6148.3151.4-61.4-12000122.9
594A31.3Very low30.7Very low95 Ų95129.4 Ų129.479%0.78577%0.768SS**  trans66.665.1155.700000120.2
595C29.3Very low30.5Very low136 Ų136128.3 Ų128.392%0.91977%0.77SS**  -179.988.8118.3-102.40000111.4
596F25.8Very low30.8Very low189 Ų189127.5 Ų127.583%0.82977%0.773SS**  trans-144.2110.9167.7-164.5-83000109.8
597S34.1Very low30.7Very low114 Ų114126 Ų12680%0.79777%0.769SS**  trans-109.6113.8165-60.90000105.8
598S32.8Very low30.7Very low68 Ų68129.3 Ų129.348%0.47677%0.771SS.*  84.5129.175-74.90000111.6
599Y30.2Very low30.5Very low205 Ų205129.6 Ų129.680%0.80476%0.764SS**  cis-134.5163.8-10.9-81.1-83.5000106.7
600Q28.8Very low30.5Very low151 Ų151128.4 Ų128.471%0.70675%0.753SS**  cis59.5149.246.1-69.9-165.629.100113.2
601N27.1Very low30.3Very low118 Ų118129.7 Ų129.763%0.63175%0.747SS**  cis-149149.3-8.1-104.1-8.4000107
602V27.4Very low30.4Very low117 Ų117127.8 Ų127.871%0.70974%0.736SS**  79.212063.3176.10000114.9
603S27.6Very low30.3Very low109 Ų109129.3 Ų129.376%0.76274%0.741SS**  trans71.8156.8166.9-58.80000117.4
604S28.3Very low30.5Very low119 Ų119125.8 Ų125.883%0.83273%0.733SS**  cis-145.2169.823.6-58.80000115.4
605A31.6Very low30.7Very low91 Ų91127.8 Ų127.875%0.75273%0.731SS**  trans-91.5-157163.300000109.6
606P34.6Very low30.7Very low124 Ų124126.6 Ų126.681%0.80572%0.719SS**  cis-140.5-169.6-0.245.4-26.7000115.7
607S31.5Very low31Very low112 Ų112125 Ų12578%0.78372%0.715SS**  trans-163.1164.2147.556.30000111.1
608N29.8Very low30.9Very low134 Ų134127.4 Ų127.472%0.71771%0.713SS**  trans-163.6153.6-170.5-17019.3000112.8
609M32Very low30.7Very low154 Ų154131.6 Ų131.676%0.75973%0.729SS**  trans64.1159.5175.4-51.8-59.7-176.600115.8
610N30.9Very low30.8Very low116 Ų116127.8 Ų127.862%0.6273%0.729SS**  cis-152.8157.56-161.716.9000113.1
611E30.2Very low30.8Very low133 Ų133125.4 Ų125.462%0.62174%0.735SS**  trans56.8159153.7-89.3175.875.200119.9
612K33.1Very low31.1Very low150 Ų150124.9 Ų124.965%0.65274%0.741SS**  cis-154.2149.17.2-149.2-171.8-169.981.20110.6
613T31.3Very low31.2Very low128 Ų128127.1 Ų127.179%0.78575%0.748SS**  trans48.3141.3153.341.20000120.2
614A33.8Very low31.5Very low79 Ų79127.4 Ų127.465%0.65375%0.75SS**  cis-161-170.3-8.900000106
615D34Very low31.5Very low137 Ų137127.6 Ų127.673%0.73375%0.746SS**  cis-136.3174.32.9-101.3-62.3000107.3
616T29Very low31.5Very low110 Ų110130.9 Ų130.968%0.67575%0.749SS**  62118.855.2-180000112.1
617Q32.9Very low31.2Very low157 Ų157129.5 Ų129.573%0.73474%0.743SS**  cis-146.8166.332-70.5172.1-700114
618Q31.8Very low31.1Very low163 Ų163133.3 Ų133.376%0.76275%0.745SS**  trans60124.5147.7-76.9165.5-35.500120.1
619I28.3Very low31.3Very low157 Ų157132.3 Ų132.381%0.80575%0.746SS**  cis63.5126.940.5-54.4178.9000111.5
620P33.6Very low31.2Very low125 Ų125131.9 Ų131.981%0.81275%0.746SS**  cis-130.1-174.728.626-1.5000116.3
621A28Very low31.5Very low101 Ų101132.6 Ų132.684%0.83576%0.757SS**  trans-89153.9176.500000113.8
622S34Very low31.8Very low107 Ų107131.2 Ų131.275%0.74876%0.758SS**  trans-152.4134.9151.759.20000112.1
623L29.8Very low31.5Very low163 Ų163130.5 Ų130.585%0.85377%0.77SS**  trans27126.2138.2-48.1171000117.3
624S33.8Very low31.6Very low115 Ų115132.8 Ų132.880%0.80477%0.772SS**  cis-163.3154.648.2-60.20000114.8
625T26.8Very low31.6Very low124 Ų124136.6 Ų136.676%0.76178%0.776SS**  trans-50.7127.9170.8-53.10000115.4
626I32Very low31.4Very low160 Ų160139 Ų13982%0.82179%0.788SS**  trans-134.8116.9143.5-59.1-177000108.3
627S28.9Very low31.5Very low95 Ų95140 Ų14066%0.66479%0.785SS**  trans-122.5113.4-179.7-59.90000110.9
628F30.2Very low31.6Very low192 Ų192140.5 Ų140.584%0.84279%0.792SS**  trans-151.6153.5173-89.9-56.1000110.7
629P33.4Very low31.6Very low113 Ų113138.5 Ų138.573%0.73479%0.793SS**  -115.9171.9-96.939.9-37.1000115.5
630L30.4Very low31.7Very low145 Ų145134.9 Ų134.976%0.75978%0.781SS**  trans-59.3146166.6-89.663.2000111.3T632L630-T632 PolarHBondContact O-N 3.14Å
631P37Very low31.7Very low130 Ų130136.9 Ų136.984%0.84478%0.78SS**  trans-75.875.4169.132.8-34.9000110.4
632T35Very low32.1Very low104 Ų104138.2 Ų138.264%0.63877%0.769SS**  trans-59.9138.8168.3-52.50000109.5L630 Q634L630-T632 PolarHBondContact O-N 3.14Å; T632-Q634 HydrophobicContact CG2-CG 4.43Å; T632-Q634 PolarHBondContact O-N 2.96Å
633C28.6Very low32.2Very low136 Ų136140.3 Ų140.392%0.91977%0.767SS**  trans-71.191.2172.6-63.70000110
634Q33.3Very low32.3Very low176 Ų176137.3 Ų137.382%0.82276%0.759SS**  trans-100.3155.7170.7-79.4-173.4-35.300112.1T632T632-Q634 HydrophobicContact CG2-CG 4.43Å; T632-Q634 PolarHBondContact O-N 2.96Å
635Q32.1Very low32.2Very low158 Ų158137.5 Ų137.574%0.73876%0.755SS**  trans-77.6148.2-172.6-61.9155.7-6200111.3H637Q635-H637 HydrophobicContact CB-CB 4.13Å; Q635-H637 PolarHBondContact O-N 3.16Å
636L30.7Very low32.5Very low187 Ų187138.9 Ų138.998%0.97976%0.758SS**  trans-74.6106145.4-84.5165.7000107
637H31.6Very low32.5Very low131 Ų131135.2 Ų135.261%0.60675%0.751SS**  trans-133.198.8174.7-148125.8000108.2Q635Q635-H637 HydrophobicContact CB-CB 4.13Å; Q635-H637 PolarHBondContact O-N 3.16Å
638L34.2Very low32.7Very low169 Ų169135.6 Ų135.689%0.88575%0.754SS**  trans-163.4131177.2-14678.2000110.6
639P31Very low32.7Very low121 Ų121134.4 Ų134.479%0.78676%0.755SS**  cis-97169.3-25.438.3-30.1000112.1
640S31.3Very low32.6Very low80 Ų80133.8 Ų133.856%0.55976%0.759SS**  trans-84.8137.2170.7177.20000111.6
641Q33.8Very low32.6Very low168 Ų168130.1 Ų130.179%0.78576%0.757SS**  trans-138.292.2142.7-85.2-54.8-52.200110.8
642H36.5Very low32.2Very low129 Ų129131.9 Ų131.960%0.59776%0.757SS**  trans70.7116.9148.6-77.7-116.5000121.9
643H36Very low32Very low151 Ų151130.6 Ų130.670%0.69976%0.758SS**  trans61.7119.3135.5-74.4-101.5000119.2
644S31.5Very low32.4Very low100 Ų100132.5 Ų132.570%0.69975%0.753SS**  cis63.5134.522.2-33.30000113.3
645T32.2Very low32.2Very low118 Ų118134.1 Ų134.172%0.72475%0.753SS**  cis-166.2169.330.4-37.90000111.8
646L32.6Very low32.4Very low154 Ų154134.2 Ų134.281%0.80675%0.753SS**  trans109.5124155.4-61.1173.1000114.6
647A32.7Very low32.6Very low82 Ų82131 Ų13168%0.67874%0.743SS**  72.7142.960.600000112.3
648S31.7Very low32.8Very low104 Ų104128.8 Ų128.873%0.72775%0.748SS**  cis-170.4165.5-7.7-1070000110.1
649L30.9Very low32.6Very low166 Ų166127.7 Ų127.787%0.86974%0.742SS**  trans65.4137.4155.6-69.6157.9000121.5
650A31.1Very low32.8Very low100 Ų100131.6 Ų131.683%0.82675%0.747SS**  trans65.1169.3146.700000120.4
651G30Very low33Very low68 Ų68133 Ų13370%0.70176%0.757SS**  trans79.3125.2-173.800000112.5
652I30.2Very low33.1Very low167 Ų167130 Ų13086%0.85676%0.761SS**  cis69.610926.8-49.8179.8000113.9
653A31Very low33.1Very low78 Ų78132.7 Ų132.765%0.64577%0.773SS**  trans74.7132.5151.700000121.9
654Q36.1Very low33.4Very low176 Ų176130.3 Ų130.382%0.82277%0.771SS**  trans72.3107.9135.5-66.8169-200122.5
655Y29.7Very low33.6Very low209 Ų209134.5 Ų134.582%0.8277%0.771SS**  66.7139.9126.3-82.4-84.8000124.9
656H36Very low33.9Very low161 Ų161135.2 Ų135.275%0.74577%0.767SS**  trans74.3121.4148.8-106.2-67.8000122.2
657P34.2Very low34Very low118 Ų118136.4 Ų136.477%0.76677%0.766SS**  trans-103.5143.3155.336.5-28.5000112.1
658A36.1Very low34.5Very low85 Ų85136.8 Ų136.870%0.70276%0.761SS**  trans-168.6151.4162.100000112.4
659L30.9Very low34.9Very low146 Ų146139.3 Ų139.376%0.76476%0.761SS**  trans67.4144.8169.8-44.7-177000114.9
660F35.1Very low34.8Very low203 Ų203137.8 Ų137.889%0.8976%0.759SS**  cis-129.9170.329.9-104.8-99.2000115
661S35Very low34.9Very low111 Ų111137 Ų13778%0.77675%0.753SS**  trans-122.5153.3-174.7-53.30000113.1
662A35.9Very low35Very low104 Ų104140.5 Ų140.586%0.8676%0.76SS**  trans-148.3129.1156.900000111.4
663H37Very low35.1Very low186 Ų186136.9 Ų136.986%0.86176%0.755SS**  trans-110.4-163.2167.8-130.2-33.5000106.3
664P41.4Very low35.2Very low100 Ų100137.7 Ų137.765%0.64976%0.762SS**  cis-156.9-176.425.849.9-29.2000119.1
665R36.3Very low35Very low188 Ų188136.8 Ų136.871%0.70976%0.763SS**  trans66.8156.4147.2-55.9-125.2148.8-150-8.1118.9
666Q37Very low35.7Very low134 Ų134132 Ų13263%0.62676%0.757SS**  cis-160132.7-7-118.9169.9-53.100110.8
667F35.7Very low35.5Very low178 Ų178130.4 Ų130.478%0.78176%0.759SS**  91.5157.396.7-86.8-7.3000118.8
668P43.9Very low35.2Very low91 Ų91130.1 Ų130.159%0.59176%0.759SS**  trans-132.4-165.7-145.945.3-29.1000115.8
669H38.5Very low35Very low157 Ų157133.7 Ų133.773%0.72777%0.765SS**  159.3130.4126.3-87.4-72.1000115.9
670T29.7Very low35.1Very low133 Ų133137.2 Ų137.282%0.81677%0.77SS**  trans56.4156.6143.461.60000121.3
671A33.8Very low35.3Very low84 Ų84132.1 Ų132.169%0.69476%0.757SS**  cis-153.8162.26.900000113.8
672T30.4Very low35.1Very low141 Ų141132.4 Ų132.487%0.86575%0.754SS**  trans29.7137131.4-50.10000121.6
673A32.5Very low34.7Very low91 Ų91133.8 Ų133.875%0.75275%0.747SS**  cis-174.1-177.2-13.500000112
674A33.7Very low34.5Very low95 Ų95131.7 Ų131.779%0.78574%0.738SS**  trans83.699.1156.200000122.7
675N32.4Very low34Very low158 Ų158131.5 Ų131.585%0.84574%0.735SS**  27.6154.7114.5-81.4-8.2000122.6
676P44Very low33.6Very low107 Ų107127.3 Ų127.370%0.69573%0.73SS**  cis-143.8-158.3-42.336.5-13.6000113.7
677V31.4Very low33.2Very low129 Ų129125.8 Ų125.878%0.78273%0.734SS**  trans95.893.3160.1-165.50000120.6
678S28.7Very low32.9Very low111 Ų111125.8 Ų125.878%0.77674%0.739SS**  66.2161.9123.1-147.30000124.8
679I30.8Very low32.2Very low161 Ų161124.4 Ų124.483%0.82674%0.741SS**  trans101.4137.8165.6-54.9174.7000117.7
680Y33.1Very low31.8Very low220 Ų220126.7 Ų126.786%0.86375%0.749SS**  trans-86.7-170.9-175-94.3-96.1000112.7
681P39.7Very low31.8Very low96 Ų96125.8 Ų125.862%0.62374%0.744SS**  cis-138.7-176.2-4.2242.5000117.5
682T30Very low31.5Very low116 Ų116128.1 Ų128.171%0.71275%0.75SS**  trans67.1124.5145.641.50000120.9
683N29.3Very low31.4Very low134 Ų134125.6 Ų125.672%0.71774%0.743SS**  76.3141.171.7-93.6-24000114.3
684Q31.2Very low31.2Very low142 Ų142128.8 Ų128.866%0.66475%0.747SS**  cis-167.4150.22.5-151.7169.57900113.2
685T30.9Very low31Very low95 Ų95129.6 Ų129.658%0.58375%0.747SS**  trans58.3171.5151.440.80000120.3
686T28.9Very low30.9Very low100 Ų100125.4 Ų125.461%0.61374%0.741SS**  cis-153.7141.58.5-14.50000112.5
687S28.9Very low30.1Very low102 Ų102126 Ų12671%0.71375%0.748SS**  trans51.9171.9134.7780000122.4
688M29.6Very low30.3Very low179 Ų179130.8 Ų130.888%0.88275%0.754SS**  cis-125.1153.8-10-83.5-164.1-77.700108.2
689G28.6Very low30.7Very low61 Ų61131.5 Ų131.563%0.62976%0.756SS**  95.511386.700000110.3
690F29.9Very low30.7Very low206 Ų206132.4 Ų132.490%0.90476%0.756SS**  45.4133.367.4-72.1-78.8000112.3
691T29.3Very low30.6Very low114 Ų114125.5 Ų125.570%0.69974%0.744SS**  -169.2169.270.842.40000113.8
692T28.3Very low30Very low133 Ų133129.8 Ų129.882%0.81676%0.756SS**  trans66.1154.3146.338.50000119.9
693A28.1Very low29.9Very low87 Ų87130.9 Ų130.972%0.71976%0.763SS**  cis-147.6-178.6-16.200000108.3
694N29Very low30.3Very low158 Ų158132.6 Ų132.685%0.84577%0.768SS**  -167.5174.372.1-149.7-9000113
695S29.1Very low30.6Very low112 Ų112131.7 Ų131.778%0.78378%0.775SS**  trans-145.2159.4-173.360.30000114.2
696G29.5Very low30.5Very low70 Ų70136 Ų13672%0.72279%0.785SS**  trans95.3156.5179.500000114
697S27.3Very low30.7Very low120 Ų120139.5 Ų139.584%0.83980%0.8SS**  cis-155.2172.62.6-79.20000111.8
698Y36.6Very low30.8Very low230 Ų230139.8 Ų139.890%0.90280%0.797SS**  trans-60.5157.5167.9-88.8-97000112.4
699P37.5Very low30.8Very low126 Ų126138.7 Ų138.782%0.81880%0.795SS**  -135.4-170.1117.239.8-30.9000114.2
700H29.1Very low30.9Very low179 Ų179139.7 Ų139.783%0.82979%0.792SS**  trans-135.3135.8-164.9172.8-82.9000111.2
701A32.1Very low31.1Very low75 Ų75137 Ų13762%0.6279%0.787SS**  trans55.7124.7166.400000120.9
702Q27.4Very low31.1Very low186 Ų186138.5 Ų138.587%0.86979%0.791SS**  trans-174.8125.5139.2-98.6155.636.700107.6
703V26.6Very low31.4Very low140 Ų140138.7 Ų138.785%0.84879%0.792SS**  76.2131.381.81750000113.3
704M38.5Very low31.6Very low169 Ų169138.2 Ų138.283%0.83380%0.795SS**  trans-72.1164.3-178.9-56.4-83.2-164.600111.7
705P37.7Very low31.8Very low123 Ų123135 Ų13580%0.79979%0.791SS**  -144.4170.191.439.7-25.5000115.6
706F29.4Very low32.1Very low185 Ų185134.9 Ų134.981%0.81179%0.79SS**  trans-66157.2157.8-76.9-115000110.3
707L33.3Very low32.3Very low175 Ų175136.5 Ų136.592%0.91679%0.79SS**  trans-145.9148.1133.2-112.9176.5000111
708V29.9Very low32.6Very low108 Ų108135.7 Ų135.766%0.65578%0.784SS**  trans-106.1144.1179.9172.50000108.2
709N29.4Very low32.4Very low156 Ų156132.3 Ų132.383%0.83478%0.78SS**  trans-144.8159141.4-151.11.6000112.1
710S30.9Very low32.1Very low81 Ų81131.2 Ų131.257%0.56678%0.775SS**  trans-107.6170.6-169.6-54.90000112.4
711N34.2Very low32.2Very low151 Ų151132.5 Ų132.581%0.80778%0.779SS**  trans149.2111.4144.9-73.8-15.6000107.9
712N29.4Very low32.3Very low144 Ų144136.5 Ų136.577%0.7779%0.789SS**  cis83.1143.831.8-156.613.8000113.9
713T33.7Very low32.6Very low138 Ų138131.5 Ų131.585%0.84779%0.787SS**  trans64.3146.1-159.275.30000113.2
714G32.3Very low33Very low76 Ų76130.6 Ų130.678%0.78478%0.783SS**  cis168.3165.2-4.800000108.4
715A33.8Very low32.7Very low91 Ų91130.3 Ų130.375%0.75278%0.784SS**  cis-166.7175.1-12.600000110
716S34.6Very low32.4Very low109 Ų109128.3 Ų128.376%0.76278%0.778SS**  trans81137.6150.3-550000123.1
717S35.2Very low32.6Very low104 Ų104125.7 Ų125.773%0.72778%0.777SS**  trans67.8118.6155.6-51.10000119.1
718S32.7Very low32.6Very low103 Ų103122.5 Ų122.572%0.7277%0.769SS**  65.413354.383.90000112.7
719I33.1Very low32.5Very low159 Ų159124.5 Ų124.582%0.81578%0.776SS**  -144.5157.252.7-80.6165.7000112.9
720S30.2Very low32.7Very low103 Ų103122 Ų12272%0.7277%0.771SS**  trans-83.8157.9177.2-35.50000114.1
721F31.7Very low32.8Very low207 Ų207122 Ų12291%0.90878%0.784SS**  trans-150.6165.9140-129-89.1000112.8
722L33.6Very low32.7Very low159 Ų159122.1 Ų122.183%0.83279%0.785SS**  trans-95.5156.4-162.1-68.6156000114.5
723G35.2Very low33Very low80 Ų80123.6 Ų123.683%0.82579%0.792SS**  trans-175.290.117100000112.5
724T34.2Very low32.8Very low122 Ų122121.8 Ų121.875%0.74878%0.777SS**  trans-92.4133.8-176.948.60000113.1
725N32.2Very low32.5Very low163 Ų163121.2 Ų121.287%0.87276%0.761SS**  trans173.9142.5141.4-87.9-27000107.8
726A31.9Very low32.4Very low80 Ų80121 Ų12166%0.66175%0.754SS**  cis170.2168.8-18.400000104.8
727V33.4Very low32.1Very low131 Ų131121.4 Ų121.479%0.79475%0.751SS**  trans75.487.4166.9-165.50000118.4
728S33.9Very low31.8Very low107 Ų107121.1 Ų121.175%0.74876%0.756SS**  62.177.3123.2-47.50000122.1
729D27.7Very low31.4Very low150 Ų150123 Ų12380%0.80276%0.757SS**  50.5154.899.5-163.633.2000123.1
730S32.3Very low31.3Very low105 Ų105121.5 Ų121.573%0.73476%0.756SS**  trans89.5115.5149.2-89.50000120.5
731G34.6Very low31.2Very low81 Ų81122.4 Ų122.484%0.83576%0.762SS**  trans170.7-9.7168.400000118.9
732N31.5Very low31.2Very low153 Ų153115.8 Ų115.882%0.81875%0.753SS**  trans-111.569.4-167.2-163.921.1000114.6N734N732-N734 PolarHBondContact O-N 3.37Å
733N35.8Very low31Very low174 Ų174115.4 Ų115.493%0.9376%0.756SS**  trans-78.9111.1-177-81.2-17000113.8
734N29.4Very low30.6Very low100 Ų100121.4 Ų121.454%0.53576%0.756SS.*  trans-132.3107.8175.4-177.958.7000112.2K484 N732K484-N734 PolarHBondContact NZ-OD1 3.08Å; N732-N734 PolarHBondContact O-N 3.37Å
735C26.5Very low30.3Very low64 Ų64123.2 Ų123.243%0.43276%0.756SS.*  trans71.4168.4160.3-66.90000119.1K482K482-C735 HydrophobicContact CD-CB 3.84Å; K482-C735 HydrophobicContact CG-CB 4.48Å
736S30.9Very low30Very low87 Ų87120.2 Ų120.261%0.60875%0.747SS**  trans72.9120.9-179.1-52.70000113K482K482-S736 PolarHBondContact NZ-OG 3.24Å
737V27.3Very low29.9Very low117 Ų117121.7 Ų121.771%0.70975%0.753SS**  cis61.777.232.9-164.20000111.6N739V737-N739 HydrophobicContact CG1-CB 4.4Å
738A30.2Very low29.9Very low99 Ų99120.8 Ų120.882%0.81875%0.752SS**  trans-75141.7143.300000108
739N24.4Very low29.9Very low141 Ų141120.8 Ų120.875%0.75475%0.752SS**  trans-134.699.4-177.4178.765.2000108.8V737V737-N739 HydrophobicContact CG1-CB 4.4Å
740T31.4Very low30.2Very low128 Ų128120.3 Ų120.379%0.78575%0.745SS**  trans-133.799.1179.448.70000110.1
741S28.3Very low30.4Very low122 Ų122122.7 Ų122.785%0.85374%0.742SS**  trans1.1128142.4-43.90000116.7
742G30.3Very low30.5Very low69 Ų69127.3 Ų127.371%0.71174%0.744SS**  trans-16132.6-17200000118.2
743V30.6Very low30.7Very low150 Ų150123.4 Ų123.491%0.90974%0.74SS**  trans66.6167.8159-174.50000116.9
744Y26.8Very low30.8Very low206 Ų206119.9 Ų119.981%0.80874%0.735SS**  trans-109172.4-169.7-121.9-131.8000111.9
745Q28.1Very low31Very low161 Ų161122.3 Ų122.375%0.75275%0.748SS**  trans71.1111.3156-76.4162.3-21.200120.8
746S25.3Very low31.5Very low99 Ų99124.2 Ų124.269%0.69276%0.758SS**  20.2142116.359.70000119.6
747S29Very low31.7Very low112 Ų112125.9 Ų125.978%0.78377%0.765SS**  cis-152.9175.441-62.80000115.7
748S32.9Very low32Very low111 Ų111124.4 Ų124.478%0.77676%0.759SS**  trans-68.9177.9170.454.40000113.3
749S34.3Very low32.2Very low107 Ų107129.4 Ų129.475%0.74876%0.763SS**  cis-170.1-172.429.9-155.30000115
750Q34.6Very low33.1Very low140 Ų140128 Ų12865%0.65476%0.762SS**  trans87.7150162.9-49.2-16150.500120.1
751K37.4Very low33.2Very low156 Ų156128.5 Ų128.568%0.67876%0.764SS**  cis-169.6166.4-40.7-150.1-171.6174.7-1730111.7
752M35Very low33.6Very low178 Ų178125.7 Ų125.788%0.87776%0.755SS**  trans83.4148.6161.7-44.6-148.8-65.200118.2
753G36.1Very low33.8Very low71 Ų71128.7 Ų128.773%0.73276%0.759SS**  cis168.1161.3-10.800000114.7
754A37.8Very low34Very low100 Ų100127.8 Ų127.883%0.82676%0.759SS**  trans74.5150.9168.700000117.9
755D34.9Very low34.2Very low150 Ų150121.2 Ų121.280%0.80275%0.754SS**  cis-163.9175.9-14.8-133.1-35.9000116.2
756V37Very low34.4Very low105 Ų105121.5 Ų121.564%0.63676%0.76SS**  trans76.899.9143.1162.60000123.5
757T34.8Very low34.8Very low122 Ų122122.1 Ų122.175%0.74876%0.76SS**  trans67.6167.1134.769.60000124.1
758S33.7Very low34.9Very low86 Ų86125.9 Ų125.960%0.60177%0.765SS**  cis-171.9163-40.2-83.10000113.4
759F33Very low34.8Very low204 Ų204131.7 Ų131.790%0.89577%0.77SS**  trans91.8140.8155-64.7-65.7000123.1
760P43.3Very low34.9Very low112 Ų112132.1 Ų132.173%0.72777%0.77SS**  trans-133.1-158179.744.1-25.2000114.3
761V33.8Very low34.8Very low138 Ų138128.7 Ų128.784%0.83677%0.772SS**  trans140.4138.8142.8168.20000114.9
762G36.3Very low34.5Very low63 Ų63129.1 Ų129.165%0.64978%0.78SS**  trans111.6156.4147.300000118.8
763T35.1Very low34.4Very low132 Ų132126 Ų12681%0.8178%0.776SS**  -169145.9-74.927.70000110.5
764S35Very low34.1Very low130 Ų130127.6 Ų127.691%0.90978%0.776SS**  trans66.1158.2167.5-54.40000117.6
765G31.5Very low33.9Very low68 Ų68130.7 Ų130.770%0.70178%0.777SS**  cis168.6157.4-13.700000114.9
766L32.7Very low33.9Very low168 Ų168127 Ų12788%0.8877%0.767SS**  trans81.9146.2155-56.9177.1000124
767T32Very low33.7Very low111 Ų111129.3 Ų129.368%0.68178%0.776SS**  trans76.19914438.90000125.7
768Q32.8Very low33.9Very low192 Ų192129 Ų12990%0.89778%0.776SS**  70.6153.4118.2-65-172.731.300124.5
769R30.5Very low33.9Very low232 Ų232131.3 Ų131.388%0.87579%0.786SS**  trans-88.1-178178.3-132.2178.5154.8-142.3-3.3109.8
770P35.7Very low33.7Very low117 Ų117126.5 Ų126.576%0.7678%0.778SS**  cis-142.5-171.60.444.2-25000117.1
771G32.6Very low33.4Very low67 Ų67128.6 Ų128.669%0.69179%0.788SS**  trans136.2104.3138.700000122.4
772I30.6Very low33.5Very low166 Ų166129.1 Ų129.185%0.85179%0.787SS**  trans39.5150.5137.625.7172.7000126.5
773S33.2Very low34Very low113 Ų113130.6 Ų130.679%0.7978%0.784SS**  trans71.9158.715730.30000120.6
774S30.8Very low33.9Very low103 Ų103130.6 Ų130.672%0.7279%0.785SS**  cis-176.3168.3-36.6-156.80000110.4
775I31.9Very low33.9Very low165 Ų165129.8 Ų129.885%0.84678%0.779SS**  trans71.8153.1163.5-56156.6000116.4
776A34.5Very low34.2Very low74 Ų74131.6 Ų131.661%0.61278%0.777SS**  cis-169.8145.7-4200000112.5
777D33.6Very low34.3Very low152 Ų152130 Ų13081%0.81377%0.774SS**  trans59.3-172.5148.2-47.4-30000121
778P39.1Very low34.7Very low117 Ų117131.3 Ų131.376%0.7678%0.782SS**  -138.1-145.4-105.144.6-22.9000116.2
779V34Very low35Very low133 Ų133126.5 Ų126.581%0.80678%0.775SS**  trans82.8129.7177.9-172.30000114.1
780S29.5Very low35.4Very low104 Ų104122.6 Ų122.673%0.72777%0.771SS**  cis111.7103.28.8-170.90000115
781V37Very low36Very low155 Ų155122.7 Ų122.794%0.93977%0.77SS**  trans-155168.4160.6-109.90000111
782N34.7Very low36.8Very low150 Ų150126 Ų12680%0.80277%0.771SS**  trans-132.3-147.8-156.7-151.511000112.7
783P46.2Very low37.8Very low93 Ų93123.6 Ų123.660%0.60476%0.759SS**  -111.2-169.4-94.827-7000116.4
784T34.7Very low38.4Very low133 Ų133121.8 Ų121.882%0.81675%0.751SS**  trans100.6106.815268.70000120.4
785S35.3Very low39.3Very low112 Ų112120.3 Ų120.378%0.78375%0.745SS**  -168.3103106.2-167.60000111.1
786T37.1Very low40.3Very low107 Ų107117.2 Ų117.266%0.65673%0.734SS**  78.8104.794.8-22.20000117.1
787T35.4Very low41.2Very low133 Ų133119.4 Ų119.482%0.81673%0.733SS**  trans59.9152.2152.451.80000119.7
788V40.2Very low42.1Very low140 Ų140114.7 Ų114.785%0.84872%0.715SS**  cis-135.4175.515.6-176.20000110.1
789A38.9Very low42.6Very low91 Ų91112.2 Ų112.275%0.75270%0.704SS**  trans85.460.4161.500000118.9
790N38.5Very low43.4Very low149 Ų149107.9 Ų107.980%0.79768%0.682SS**  trans-94.4122.8165.8-82.2-36.6000112.6
791T48.5Very low44.4Very low120 Ų120105.3 Ų105.374%0.73667%0.667SS**SBendtrans-156.2-49.5155.927.10000111.8I793T791-I793 PolarHBondContact O-N 3.35Å
792N50Low45.2Very low135 Ų135103.7 Ų103.772%0.72265%0.653SS**THydrogen-bonded Turntrans-80.4-13.7-165.7-67.8-22.9000116.3
793I50.2Low46.1Very low117 Ų11799.1 Ų99.160%0.664%0.641SS**Hα-helixtrans-81.8-29.5-172.9-62.1176.8000112.4T791 A795 V796 M797T791-I793 PolarHBondContact O-N 3.35Å; I793-A795 PolarHBondContact O-N 3.33Å; I793-V796 PolarHBondContact O-N 2.9Å; I793-M797 HydrophobicContact CG2-CG 4.24Å; I793-M797 PolarHBondContact O-N 3.43Å; I793-M797 VanDerWaalsContact O-N 3.11Å
794A46.8Very low46.4Very low75 Ų75101.9 Ų101.962%0.6264%0.639SS**Hα-helixtrans-61.9-41.9-178.700000112.7V796 M797 A798A794-V796 PolarHBondContact O-N 3.44Å; A794-M797 PolarHBondContact O-N 2.94Å; A794-A798 WeakPolarHBondContact O-CB 3.13Å; A794-A798 PolarHBondContact O-N 2.83Å
795A48.6Very low47.2Very low71 Ų71101.6 Ų101.659%0.58763%0.629SS**Hα-helixtrans-64.1-3917900000112.7I793 A798 A799I793-A795 PolarHBondContact O-N 3.33Å; A795-A798 PolarHBondContact O-N 3.08Å; A795-A799 PolarHBondContact O-N 2.98Å; A795-A799 VanDerWaalsContact O-N 3.08Å
796V53.4Low47.7Very low101 Ų101104 Ų10461%0.61263%0.625SS**Hα-helixtrans-68.6-39.3177.8-177.70000110.9I793 A794 A799 A800I793-V796 PolarHBondContact O-N 2.9Å; A794-V796 PolarHBondContact O-N 3.44Å; V796-A799 PolarHBondContact O-N 2.95Å; V796-A800 WeakPolarHBondContact O-CB 3.27Å; V796-A800 PolarHBondContact O-N 3.48Å
797M52.8Low48.4Very low119 Ų119105.2 Ų105.259%0.58662%0.623SS**Hα-helixtrans-69.3-34.7175.7-69.2-67.8-90.500112.5I793 A794 A800 A801I793-M797 HydrophobicContact CG2-CG 4.24Å; I793-M797 PolarHBondContact O-N 3.43Å; I793-M797 VanDerWaalsContact O-N 3.11Å; A794-M797 PolarHBondContact O-N 2.94Å; M797-A800 CarbonylContact O-C 3.31Å; M797-A800 PolarHBondContact O-N 3.4Å; M797-A801 PolarHBondContact O-N 2.72Å
798A52.7Low49.2Very low54 Ų54105.4 Ų105.445%0.44662%0.615SS.*Hα-helixtrans-64.7-44.3173.400000112.2A794 A795 A800 A801 L802A794-A798 WeakPolarHBondContact O-CB 3.13Å; A794-A798 PolarHBondContact O-N 2.83Å; A795-A798 PolarHBondContact O-N 3.08Å; A798-A800 VanDerWaalsContact C-N 3.29Å; A798-A800 PolarHBondContact O-N 3.44Å; A798-A801 WeakPolarHBondContact O-CB 3.14Å; A798-A801 PolarHBondContact O-N 3.44Å; A798-L802 PolarHBondContact O-N 2.87Å; A798-L802 VanDerWaalsContact O-N 3.1Å
799A50.1Low49.5Very low65 Ų65103 Ų10354%0.53760%0.6SS.*Hα-helixtrans-60-40.2172.800000111.9A795 V796 A801 G803A795-A799 PolarHBondContact O-N 2.98Å; A795-A799 VanDerWaalsContact O-N 3.08Å; V796-A799 PolarHBondContact O-N 2.95Å; A799-A801 VanDerWaalsContact C-N 3.25Å; A799-A801 PolarHBondContact O-N 3.02Å; A799-G803 PolarHBondContact O-N 2.84Å; A799-G803 VanDerWaalsContact O-N 3.15Å
800A50.5Low49.9Very low41 Ų41105 Ų10534%0.33960%0.595SS.*Hα-helixtrans-73.4-9.1174.500000114.5V796 M797 A798 R804V796-A800 WeakPolarHBondContact O-CB 3.27Å; V796-A800 PolarHBondContact O-N 3.48Å; M797-A800 CarbonylContact O-C 3.31Å; M797-A800 PolarHBondContact O-N 3.4Å; A798-A800 VanDerWaalsContact C-N 3.29Å; A798-A800 PolarHBondContact O-N 3.44Å; A800-R804 PolarHBondContact O-NE 2.89Å; A800-R804 PolarHBondContact O-NH2 3.46Å
801A51.3Low50.4Low50 Ų50105.1 Ų105.141%0.41359%0.59SS.*Hα-helixtrans-88.2-45.7171.600000111M797 A798 A799 G803 R804 Q805M797-A801 PolarHBondContact O-N 2.72Å; A798-A801 WeakPolarHBondContact O-CB 3.14Å; A798-A801 PolarHBondContact O-N 3.44Å; A799-A801 VanDerWaalsContact C-N 3.25Å; A799-A801 PolarHBondContact O-N 3.02Å; A801-G803 VanDerWaalsContact C-N 3.3Å; A801-G803 PolarHBondContact O-N 3.29Å; A801-R804 WeakPolarHBondContact O-CA 3.36Å; A801-R804 PolarHBondContact O-N 3.46Å; A801-Q805 PolarHBondContact O-N 3.4Å; A801-Q805 VanDerWaalsContact O-N 3.09Å
802L54.1Low50.1Low122 Ų122105.2 Ų105.264%0.63958%0.582SS**Hα-helixtrans-60.5-39.5175.1-66.3173000111.8A798 R804 Q805 F806A798-L802 PolarHBondContact O-N 2.87Å; A798-L802 VanDerWaalsContact O-N 3.1Å; L802-R804 PolarHBondContact O-N 3.44Å; L802-Q805 PolarHBondContact O-N 2.94Å; L802-F806 PolarHBondContact O-N 2.94Å
803G51.9Low49.7Very low53 Ų53107.2 Ų107.255%0.54658%0.581SS.*Hα-helixtrans-62.8-20172.100000114.9A799 A801A799-G803 PolarHBondContact O-N 2.84Å; A799-G803 VanDerWaalsContact O-N 3.15Å; A801-G803 VanDerWaalsContact C-N 3.3Å; A801-G803 PolarHBondContact O-N 3.29Å
804R54.1Low49.5Very low151 Ų151106 Ų10657%0.5758%0.581SS**Hα-helixtrans-90.8-36.2176.4-86.7179-83.2-158.3-2.1113.1A800 A801 L802 F806 H807 Q808A800-R804 PolarHBondContact O-NE 2.89Å; A800-R804 PolarHBondContact O-NH2 3.46Å; A801-R804 WeakPolarHBondContact O-CA 3.36Å; A801-R804 PolarHBondContact O-N 3.46Å; L802-R804 PolarHBondContact O-N 3.44Å; R804-F806 VanDerWaalsContact C-N 3.33Å; R804-F806 PolarHBondContact O-N 3.31Å; R804-H807 PolarHBondContact O-N 3.48Å; R804-H807 VanDerWaalsContact O-N 3.1Å; R804-Q808 PolarHBondContact O-N 2.94Å
805Q51.2Low49.3Very low127 Ų127109.2 Ų109.259%0.59358%0.583SS**Hα-helixtrans-61.5-41.2173.8-75.8-163.5-36.500112.1A801 L802 H807 Q808 T809A801-Q805 PolarHBondContact O-N 3.4Å; A801-Q805 VanDerWaalsContact O-N 3.09Å; L802-Q805 PolarHBondContact O-N 2.94Å; Q805-H807 PolarHBondContact O-N 3.26Å; Q805-H807 VanDerWaalsContact O-N 3.15Å; Q805-Q808 PolarHBondContact O-N 3.37Å; Q805-Q808 VanDerWaalsContact O-N 3.16Å; Q805-T809 PolarHBondContact O-N 2.97Å; Q805-T809 PolarHBondContact O-OG1 3.45Å
806F46.4Very low49.1Very low162 Ų162111 Ų11171%0.71158%0.581SS**Hα-helixtrans-60.2-28176.1-151.2-91.4000113L802 R804L802-F806 PolarHBondContact O-N 2.94Å; R804-F806 VanDerWaalsContact C-N 3.33Å; R804-F806 PolarHBondContact O-N 3.31Å
807H51.4Low48.6Very low133 Ų133110.4 Ų110.462%0.61658%0.578SS**Hα-helixtrans-85.5-29178.3-143.7-32000113.4R804 Q805R804-H807 PolarHBondContact O-N 3.48Å; R804-H807 VanDerWaalsContact O-N 3.1Å; Q805-H807 PolarHBondContact O-N 3.26Å; Q805-H807 VanDerWaalsContact O-N 3.15Å
808Q50.6Low48.1Very low137 Ų137107.2 Ų107.264%0.6457%0.571SS**Hα-helixtrans-72.1-40.3172.3-76.7-179.7-54.300112R804 Q805 Q810 Q811 Q812R804-Q808 PolarHBondContact O-N 2.94Å; Q805-Q808 PolarHBondContact O-N 3.37Å; Q805-Q808 VanDerWaalsContact O-N 3.16Å; Q808-Q810 PolarHBondContact O-N 2.92Å; Q808-Q811 PolarHBondContact O-N 3.41Å; Q808-Q812 PolarHBondContact O-N 3.12Å
809T47.1Very low47.5Very low89 Ų89114.9 Ų114.955%0.54659%0.589SS.*Hα-helixtrans-60.4-33.5176.5-48.50000112.1Q805 Q811Q805-T809 PolarHBondContact O-N 2.97Å; Q805-T809 PolarHBondContact O-OG1 3.45Å; T809-Q811 VanDerWaalsContact C-N 3.3Å; T809-Q811 PolarHBondContact O-N 2.97Å
810Q48Very low47.3Very low135 Ų135116 Ų11663%0.63159%0.594SS**Hα-helixtrans-65.9-25.2172.8-77.1-76.8-46.100113.8Q808Q808-Q810 PolarHBondContact O-N 2.92Å
811Q47.8Very low46.9Very low151 Ų151118 Ų11871%0.70661%0.609SS**Hα-helixtrans-91-12.4-179.9-72.1-157.2-10.300115Q808 T809 P814Q808-Q811 PolarHBondContact O-N 3.41Å; T809-Q811 VanDerWaalsContact C-N 3.3Å; T809-Q811 PolarHBondContact O-N 2.97Å; Q811-P814 WeakPolarHBondContact O-CD 3.31Å
812Q43.1Very low46.7Very low122 Ų122120.3 Ų120.357%0.5762%0.623SS**Hα-helixtrans-80.3-23.7170.8-72.8-168.5-62.600113.3Q808 P814 Q815 I816Q808-Q812 PolarHBondContact O-N 3.12Å; Q812-P814 VanDerWaalsContact C-CD 3.49Å; Q812-Q815 PolarHBondContact O-N 3.16Å; Q812-I816 HydrophobicContact CB-CD1 4.06Å; Q812-I816 PolarHBondContact O-N 3.19Å; Q812-I816 VanDerWaalsContact O-N 3.16Å
813Y41.7Very low46.4Very low177 Ų177123 Ų12369%0.69463%0.632SS**Hα-helixtrans-61.6-28.3-174.4-125.4-91.3000116V817Y813-V817 WeakPolarHBondContact O-CG2 3.3Å
814P46.5Very low46.1Very low92 Ų92129.1 Ų129.160%0.59765%0.647SS**Hα-helixtrans-75.5-29.1170.4-19.133.5000114.3Q811 Q812Q811-P814 WeakPolarHBondContact O-CD 3.31Å; Q812-P814 VanDerWaalsContact C-CD 3.49Å
815Q41.1Very low45.7Very low141 Ų141127.4 Ų127.466%0.65965%0.647SS**Hα-helixtrans-84.8-36.5-173.2-72.2-70.21.600112.9Q812 V817 A818 Y819Q812-Q815 PolarHBondContact O-N 3.16Å; Q815-V817 PolarHBondContact O-N 2.97Å; Q815-A818 WeakPolarHBondContact O-CB 3.48Å; Q815-A818 PolarHBondContact O-N 3.11Å; Q815-A818 VanDerWaalsContact O-N 3.14Å; Q815-Y819 PolarHBondContact O-N 2.97Å
816I44.6Very low45.7Very low109 Ų109127.5 Ų127.556%0.55966%0.659SS**Hα-helixtrans-67.1-26.5178.9-64.5171.8000111.5Q812 S820Q812-I816 HydrophobicContact CB-CD1 4.06Å; Q812-I816 PolarHBondContact O-N 3.19Å; Q812-I816 VanDerWaalsContact O-N 3.16Å; I816-S820 PolarHBondContact O-OG 3.22Å
817V44.2Very low46.4Very low89 Ų89125.5 Ų125.554%0.53966%0.656SS.*Hα-helixtrans-77.4-29.1174.4-1780000112.2Y813 Q815 S820Y813-V817 WeakPolarHBondContact O-CG2 3.3Å; Q815-V817 PolarHBondContact O-N 2.97Å; V817-S820 PolarHBondContact O-OG 3.14Å
818A41.4Very low47.1Very low52 Ų52123.5 Ų123.543%0.4365%0.653SS.*Hα-helixtrans-68-39.5174.600000112Q815 S820 A821Q815-A818 WeakPolarHBondContact O-CB 3.48Å; Q815-A818 PolarHBondContact O-N 3.11Å; Q815-A818 VanDerWaalsContact O-N 3.14Å; A818-S820 VanDerWaalsContact C-N 3.29Å; A818-S820 PolarHBondContact O-N 3.3Å; A818-A821 PolarHBondContact O-N 2.93Å
819Y41.5Very low48Very low215 Ų215120.6 Ų120.684%0.84365%0.647SS**Hα-helixtrans-72.4-20.1-177.4-141.4-93.5000114Q815Q815-Y819 PolarHBondContact O-N 2.97Å
820S44.9Very low49.3Very low89 Ų89119 Ų11962%0.62264%0.643SS**Hα-helixtrans-94.1-11.3178.839.90000113.8I816 V817 A818I816-S820 PolarHBondContact O-OG 3.22Å; V817-S820 PolarHBondContact O-OG 3.14Å; A818-S820 VanDerWaalsContact C-N 3.29Å; A818-S820 PolarHBondContact O-N 3.3Å
821A41.9Very low50.7Low81 Ų81119 Ų11967%0.66964%0.641SS**SBendtrans-84.2-8.2-178.800000114.6A818A818-A821 PolarHBondContact O-N 2.93Å
822S47.8Very low52.1Low100 Ų100116.2 Ų116.270%0.69963%0.63SS**SBendtrans-86.3-8.4-168.3-57.60000116
823Q47.3Very low53.8Low178 Ų178115.9 Ų115.983%0.83263%0.629SS**SBendtrans-145.385.1178.7-69.8-163.35800113.2
824Q44.7Very low56Low182 Ų182113.2 Ų113.285%0.8562%0.622SS**SBendtrans-177.9128.6139.1-101.5163.426.500113.5
825I46.1Very low57.7Low115 Ų115113.4 Ų113.459%0.5962%0.615SS**  trans55100.9151.2-47.2173.3000117.6N827I825-N827 HydrophobicContact CG2-CB 3.96Å; I825-N827 PolarHBondContact O-N 2.98Å
826P52.1Low59.7Low128 Ų128111.8 Ų111.883%0.83161%0.608SS**THydrogen-bonded Turntrans-71-1.5-179.629.5-36.1000115.9
827N60Low61.6Low120 Ų120115.5 Ų115.564%0.64262%0.615SS**Hα-helixtrans-79.5-27.5-170.2-153.20.7000113.9I825 S829 A830 F831I825-N827 HydrophobicContact CG2-CB 3.96Å; I825-N827 PolarHBondContact O-N 2.98Å; N827-S829 PolarHBondContact O-N 3.29Å; N827-A830 PolarHBondContact O-N 2.93Å; N827-F831 PolarHBondContact O-N 2.71Å
828V67.6Low63.5Low92 Ų92116 Ų11656%0.55861%0.611SS**Hα-helixtrans-66.4-37.4-174.2-174.80000112.3A830 F831 I832V828-A830 PolarHBondContact O-N 3.39Å; V828-F831 PolarHBondContact O-N 2.81Å; V828-I832 HydrophobicContact CG1-CD1 4.09Å; V828-I832 WeakPolarHBondContact O-CG1 3.42Å; V828-I832 PolarHBondContact O-N 2.69Å; V828-I832 VanDerWaalsContact O-N 3.12Å
829S69.5Low65.3Low75 Ų75118.6 Ų118.652%0.52461%0.614SS.*Hα-helixtrans-63.3-40.7177.7-178.10000112.4N827 F831 I832 H833N827-S829 PolarHBondContact O-N 3.29Å; S829-F831 PolarHBondContact O-N 2.93Å; S829-I832 PolarHBondContact O-N 3.16Å; S829-H833 PolarHBondContact O-N 3.25Å
830A74Confident67.2Low55 Ų55113.3 Ų113.346%0.45560%0.6SS.*Hα-helixtrans-63.5-42.2177.200000111.7N827 V828 H833 Q834N827-A830 PolarHBondContact O-N 2.93Å; V828-A830 PolarHBondContact O-N 3.39Å; A830-H833 PolarHBondContact O-N 2.92Å; A830-Q834 WeakPolarHBondContact O-CB 3.43Å; A830-Q834 PolarHBondContact O-N 3.33Å
831F77.9Confident68.8Low135 Ų135115.2 Ų115.259%0.59260%0.599SS**Hα-helixtrans-62.4-44.6176.9-172.6-96.5000112.4N827 V828 S829 H833 Q834 Q835N827-F831 PolarHBondContact O-N 2.71Å; V828-F831 PolarHBondContact O-N 2.81Å; S829-F831 PolarHBondContact O-N 2.93Å; F831-H833 PolarHBondContact O-N 3.42Å; F831-Q834 PolarHBondContact O-N 3.09Å; F831-Q835 PolarHBondContact O-N 3.22Å
832I77.1Confident70.5Confident93 Ų93117 Ų11748%0.47759%0.594SS.*Hα-helixtrans-61.2-46.1176.4-67.3168000110.8V828 S829 Q834 Q835 Q836V828-I832 HydrophobicContact CG1-CD1 4.09Å; V828-I832 WeakPolarHBondContact O-CG1 3.42Å; V828-I832 PolarHBondContact O-N 2.69Å; V828-I832 VanDerWaalsContact O-N 3.12Å; S829-I832 PolarHBondContact O-N 3.16Å; I832-Q834 VanDerWaalsContact C-N 3.33Å; I832-Q834 PolarHBondContact O-N 3.24Å; I832-Q835 PolarHBondContact O-N 2.94Å; I832-Q836 WeakPolarHBondContact O-CB 3.47Å; I832-Q836 PolarHBondContact O-N 3.11Å
833H79.1Confident71.5Confident116 Ų116117 Ų11754%0.53759%0.586SS.*Hα-helixtrans-63.7-35.4176-89.6-65.9000113.2S829 A830 F831 R837S829-H833 PolarHBondContact O-N 3.25Å; A830-H833 PolarHBondContact O-N 2.92Å; F831-H833 PolarHBondContact O-N 3.42Å; H833-R837 WeakPolarHBondContact O-CG 3.37Å; H833-R837 PolarHBondContact O-N 3.4Å
834Q85.9Confident72.9Confident121 Ų121114.3 Ų114.357%0.56557%0.573SS**Hα-helixtrans-67.9-46.2176.1-178.2167-17.700111.8A830 F831 I832 Q836 R837 Q838A830-Q834 WeakPolarHBondContact O-CB 3.43Å; A830-Q834 PolarHBondContact O-N 3.33Å; F831-Q834 PolarHBondContact O-N 3.09Å; I832-Q834 VanDerWaalsContact C-N 3.33Å; I832-Q834 PolarHBondContact O-N 3.24Å; Q834-Q836 VanDerWaalsContact C-N 3.31Å; Q834-Q836 PolarHBondContact O-N 2.77Å; Q834-R837 PolarHBondContact O-N 3.07Å; Q834-Q838 PolarHBondContact O-N 3.35Å
835Q83.5Confident74.3Confident96 Ų96111.5 Ų111.545%0.44956%0.56SS.*Hα-helixtrans-60.8-40.7175.3-171.8177.95500111.5F831 I832 R837 Q838 Q839F831-Q835 PolarHBondContact O-N 3.22Å; I832-Q835 PolarHBondContact O-N 2.94Å; Q835-R837 PolarHBondContact O-N 3.22Å; Q835-Q838 PolarHBondContact O-N 3.24Å; Q835-Q839 PolarHBondContact O-N 3.31Å; Q835-Q839 VanDerWaalsContact O-N 3.07Å
836Q83Confident75.3Confident107 Ų107109.6 Ų109.650%0.556%0.557SS.*Hα-helixtrans-67.3-33.6177.1-162.6173.240.200112.5I832 Q834 L840I832-Q836 WeakPolarHBondContact O-CB 3.47Å; I832-Q836 PolarHBondContact O-N 3.11Å; Q834-Q836 VanDerWaalsContact C-N 3.31Å; Q834-Q836 PolarHBondContact O-N 2.77Å; Q836-L840 WeakPolarHBondContact O-CG 3.43Å; Q836-L840 PolarHBondContact O-N 3.4Å
837R84.4Confident75.9Confident187 Ų187109.4 Ų109.471%0.70655%0.545SS*.Hα-helixtrans-69.2-36.8171.5-74.3-144.2-66.7179.8-2.2113H833 Q834 Q835 L840 Q841H833-R837 WeakPolarHBondContact O-CG 3.37Å; H833-R837 PolarHBondContact O-N 3.4Å; Q834-R837 PolarHBondContact O-N 3.07Å; Q835-R837 PolarHBondContact O-N 3.22Å; R837-L840 PolarHBondContact O-N 3.45Å; R837-Q841 PolarHBondContact O-N 3.12Å; R837-Q841 VanDerWaalsContact O-N 3.08Å
838Q83.6Confident76.3Confident100 Ų100109.4 Ų109.447%0.46754%0.541SS..Hα-helixtrans-62-49.5174.7-73.2172.9-31.700111.1Q834 Q835 L840 Q841 E842Q834-Q838 PolarHBondContact O-N 3.35Å; Q835-Q838 PolarHBondContact O-N 3.24Å; Q838-L840 PolarHBondContact O-N 3.23Å; Q838-Q841 PolarHBondContact O-N 3.19Å; Q838-E842 PolarHBondContact O-N 3.19Å
839Q79.7Confident76.1Confident105 Ų105108.6 Ų108.649%0.49154%0.537SS..Hα-helixtrans-59-34176.2-70.5-178.8-1.200113.1Q835 N843Q835-Q839 PolarHBondContact O-N 3.31Å; Q835-Q839 VanDerWaalsContact O-N 3.07Å; Q839-N843 WeakPolarHBondContact O-CB 3.48Å; Q839-N843 PolarHBondContact O-N 2.87Å; Q839-N843 VanDerWaalsContact O-N 3.14Å; Q839-N843 PolarHBondContact O-ND2 2.72Å
840L80.8Confident75.7Confident104 Ų104106.9 Ų106.955%0.54553%0.531SS..Hα-helixtrans-70.8-31.8174.9-76.1167.4000113.1Q836 R837 Q838 Q844Q836-L840 WeakPolarHBondContact O-CG 3.43Å; Q836-L840 PolarHBondContact O-N 3.4Å; R837-L840 PolarHBondContact O-N 3.45Å; Q838-L840 PolarHBondContact O-N 3.23Å; L840-Q844 WeakPolarHBondContact O-CG 3.43Å; L840-Q844 PolarHBondContact O-N 3.07Å; L840-Q844 PolarHBondContact O-NE2 3.42Å
841Q79.4Confident75.4Confident130 Ų130110 Ų11061%0.60754%0.536SS*.Hα-helixtrans-73.7-46.7174.5-73.1179.5-45.800111.4R837 Q838 N843 Q844 Q845R837-Q841 PolarHBondContact O-N 3.12Å; R837-Q841 VanDerWaalsContact O-N 3.08Å; Q838-Q841 PolarHBondContact O-N 3.19Å; Q841-N843 VanDerWaalsContact C-N 3.29Å; Q841-N843 PolarHBondContact O-N 3.33Å; Q841-Q844 PolarHBondContact O-N 2.9Å; Q841-Q844 VanDerWaalsContact O-N 3.11Å; Q841-Q845 PolarHBondContact O-N 3.01Å
842E76.9Confident75.1Confident119 Ų119108.7 Ų108.756%0.55653%0.531SS*.Hα-helixtrans-58.8-39.6177.4-68.3177.1145.400112.1Q838 S846Q838-E842 PolarHBondContact O-N 3.19Å; E842-S846 VanDerWaalsContact O-CB 3.26Å; E842-S846 WeakPolarHBondContact O-CB 3.35Å; E842-S846 PolarHBondContact O-N 3.39Å; E842-S846 PolarHBondContact O-OG 2.89Å
843N69.2Low74.7Confident98 Ų98111 Ų11152%0.52454%0.54SS..Hα-helixtrans-66.7-36.2175.8-88.7-84.5000113.4Q839 Q841 Q847Q839-N843 WeakPolarHBondContact O-CB 3.48Å; Q839-N843 PolarHBondContact O-N 2.87Å; Q839-N843 VanDerWaalsContact O-N 3.14Å; Q839-N843 PolarHBondContact O-ND2 2.72Å; Q841-N843 VanDerWaalsContact C-N 3.29Å; Q841-N843 PolarHBondContact O-N 3.33Å; N843-Q847 WeakPolarHBondContact O-CG 3.42Å; N843-Q847 PolarHBondContact O-N 3.4Å
844Q76.4Confident74Confident122 Ų122109.1 Ų109.157%0.5754%0.541SS*.Hα-helixtrans-68.8-48.8175.7-77.61699600110.5L840 Q841 S846 Q847 E848L840-Q844 WeakPolarHBondContact O-CG 3.43Å; L840-Q844 PolarHBondContact O-N 3.07Å; L840-Q844 PolarHBondContact O-NE2 3.42Å; Q841-Q844 PolarHBondContact O-N 2.9Å; Q841-Q844 VanDerWaalsContact O-N 3.11Å; Q844-S846 VanDerWaalsContact C-N 3.27Å; Q844-S846 PolarHBondContact O-N 2.92Å; Q844-Q847 WeakPolarHBondContact O-CA 3.36Å; Q844-Q847 WeakPolarHBondContact O-CB 3.41Å; Q844-Q847 PolarHBondContact O-N 3.41Å; Q844-E848 PolarHBondContact O-N 3.29Å
845Q75Confident73.5Confident123 Ų123109.8 Ų109.858%0.57554%0.544SS*.Hα-helixtrans-63.2-33.6180-154169.126.800112.2Q841 T849Q841-Q845 PolarHBondContact O-N 3.01Å; Q845-T849 WeakPolarHBondContact O-CG2 3.45Å; Q845-T849 PolarHBondContact O-N 3.43Å; Q845-T849 PolarHBondContact O-OG1 2.93Å
846S65.6Low73Confident75 Ų75111.6 Ų111.652%0.52455%0.552SS.*Hα-helixtrans-66.8-33.4171.5-60.90000113.3E842 Q844 T849 G850E842-S846 VanDerWaalsContact O-CB 3.26Å; E842-S846 WeakPolarHBondContact O-CB 3.35Å; E842-S846 PolarHBondContact O-N 3.39Å; E842-S846 PolarHBondContact O-OG 2.89Å; Q844-S846 VanDerWaalsContact C-N 3.27Å; Q844-S846 PolarHBondContact O-N 2.92Å; S846-T849 WeakPolarHBondContact CA-OG1 3.45Å; S846-T849 PolarHBondContact O-OG1 2.98Å; S846-G850 PolarHBondContact O-N 3.22Å; S846-G850 VanDerWaalsContact O-N 3.14Å
847Q65.4Low72.4Confident125 Ų125113.2 Ų113.258%0.58456%0.56SS**Hα-helixtrans-74.1-39.8174.7-74.3-178.633.300112.1N843 Q844 G850 Q851N843-Q847 WeakPolarHBondContact O-CG 3.42Å; N843-Q847 PolarHBondContact O-N 3.4Å; Q844-Q847 WeakPolarHBondContact O-CA 3.36Å; Q844-Q847 WeakPolarHBondContact O-CB 3.41Å; Q844-Q847 PolarHBondContact O-N 3.41Å; Q847-G850 PolarHBondContact O-N 2.88Å; Q847-Q851 WeakPolarHBondContact O-CG 3.43Å; Q847-Q851 PolarHBondContact O-N 2.92Å
848E68.9Low71.8Confident120 Ų120107.2 Ų107.256%0.56155%0.55SS**Hα-helixtrans-64.8-48.2177.1-68.6-178.1146.100111.7Q844 G850 Q851 Q852Q844-E848 PolarHBondContact O-N 3.29Å; E848-G850 VanDerWaalsContact C-N 3.35Å; E848-G850 PolarHBondContact O-N 3.39Å; E848-Q851 PolarHBondContact O-N 3.02Å; E848-Q852 WeakPolarHBondContact O-CG 3.34Å; E848-Q852 PolarHBondContact O-N 2.92Å
849T62.2Low71.2Confident75 Ų75109.4 Ų109.446%0.4656%0.56SS.*Hα-helixtrans-61.3-41.9175.648.40000111.9Q845 S846 Q851 Q852 Q853Q845-T849 WeakPolarHBondContact O-CG2 3.45Å; Q845-T849 PolarHBondContact O-N 3.43Å; Q845-T849 PolarHBondContact O-OG1 2.93Å; S846-T849 WeakPolarHBondContact CA-OG1 3.45Å; S846-T849 PolarHBondContact O-OG1 2.98Å; T849-Q851 VanDerWaalsContact C-N 3.34Å; T849-Q851 PolarHBondContact O-N 3.45Å; T849-Q852 PolarHBondContact O-N 3.43Å; T849-Q853 WeakPolarHBondContact O-CB 3.45Å; T849-Q853 PolarHBondContact O-N 3.3Å
850G62.3Low71Confident39 Ų39110.3 Ų110.340%0.40256%0.563SS.*Hα-helixtrans-61.4-37.7174.300000113.8S846 Q847 E848 S854S846-G850 PolarHBondContact O-N 3.22Å; S846-G850 VanDerWaalsContact O-N 3.14Å; Q847-G850 PolarHBondContact O-N 2.88Å; E848-G850 VanDerWaalsContact C-N 3.35Å; E848-G850 PolarHBondContact O-N 3.39Å; G850-S854 WeakPolarHBondContact O-CB 3.47Å; G850-S854 PolarHBondContact O-N 3.02Å; G850-S854 VanDerWaalsContact O-N 3.09Å
851Q67.1Low70.7Confident121 Ų121109.5 Ų109.557%0.56556%0.561SS**Hα-helixtrans-69.8-45.4174.8-74.8-178.652.600112Q847 E848 T849 Q853 S854 Q855Q847-Q851 WeakPolarHBondContact O-CG 3.43Å; Q847-Q851 PolarHBondContact O-N 2.92Å; E848-Q851 PolarHBondContact O-N 3.02Å; T849-Q851 VanDerWaalsContact C-N 3.34Å; T849-Q851 PolarHBondContact O-N 3.45Å; Q851-Q853 PolarHBondContact O-N 3.2Å; Q851-S854 PolarHBondContact O-N 2.82Å; Q851-Q855 WeakPolarHBondContact O-CG 3.46Å; Q851-Q855 PolarHBondContact O-N 2.97Å
852Q70.7Confident70.5Confident106 Ų106108.5 Ų108.550%0.49556%0.557SS.*Hα-helixtrans-60.7-43.8176.9-71.1-179.913.300111.6E848 T849 S854 Q855 Q856E848-Q852 WeakPolarHBondContact O-CG 3.34Å; E848-Q852 PolarHBondContact O-N 2.92Å; T849-Q852 PolarHBondContact O-N 3.43Å; Q852-S854 VanDerWaalsContact C-N 3.33Å; Q852-S854 PolarHBondContact O-N 3.09Å; Q852-Q855 PolarHBondContact O-N 3.47Å; Q852-Q856 WeakPolarHBondContact O-CG 3.47Å; Q852-Q856 PolarHBondContact O-N 2.91Å
853Q68.7Low70.4Confident141 Ų141107.9 Ų107.966%0.65955%0.554SS**Hα-helixtrans-65-37.9178-151.2175.251.700111.5T849 Q851 Q857T849-Q853 WeakPolarHBondContact O-CB 3.45Å; T849-Q853 PolarHBondContact O-N 3.3Å; Q851-Q853 PolarHBondContact O-N 3.2Å; Q853-Q857 VanDerWaalsContact O-CB 3.28Å; Q853-Q857 WeakPolarHBondContact O-CB 3.31Å; Q853-Q857 PolarHBondContact O-N 3.36Å
854S66.1Low70.6Confident78 Ų78107.7 Ų107.755%0.54555%0.549SS..Hα-helixtrans-65.8-35.4172.7-172.50000113.1G850 Q851 Q852 A858G850-S854 WeakPolarHBondContact O-CB 3.47Å; G850-S854 PolarHBondContact O-N 3.02Å; G850-S854 VanDerWaalsContact O-N 3.09Å; Q851-S854 PolarHBondContact O-N 2.82Å; Q852-S854 VanDerWaalsContact C-N 3.33Å; Q852-S854 PolarHBondContact O-N 3.09Å; S854-A858 WeakPolarHBondContact O-CB 3.4Å; S854-A858 PolarHBondContact O-N 2.92Å; S854-A858 VanDerWaalsContact O-N 3.11Å
855Q75Confident70.3Confident135 Ų135105.3 Ų105.363%0.63154%0.543SS*.Hα-helixtrans-71.1-46.9176.2-75.2-179.7-6.400111.5Q851 Q852 Q857 A858 H859Q851-Q855 WeakPolarHBondContact O-CG 3.46Å; Q851-Q855 PolarHBondContact O-N 2.97Å; Q852-Q855 PolarHBondContact O-N 3.47Å; Q855-Q857 VanDerWaalsContact C-N 3.32Å; Q855-Q857 PolarHBondContact O-N 3Å; Q855-A858 PolarHBondContact O-N 3.28Å; Q855-H859 PolarHBondContact O-N 3.48Å
856Q71.6Confident70.1Confident133 Ų133103.6 Ų103.662%0.62154%0.535SS*.Hα-helixtrans-58.1-44.1175.7-71.9176.6-0.400111.7Q852 A858 H859 F860Q852-Q856 WeakPolarHBondContact O-CG 3.47Å; Q852-Q856 PolarHBondContact O-N 2.91Å; Q856-A858 PolarHBondContact O-N 2.98Å; Q856-H859 PolarHBondContact O-N 3.24Å; Q856-F860 PolarHBondContact O-N 3.37Å
857Q71.5Confident70.2Confident142 Ų142102.2 Ų102.266%0.66453%0.526SS*.Hα-helixtrans-67.6-34.1178.9-167.2166.484.400112.5Q853 Q855 V861Q853-Q857 VanDerWaalsContact O-CB 3.28Å; Q853-Q857 WeakPolarHBondContact O-CB 3.31Å; Q853-Q857 PolarHBondContact O-N 3.36Å; Q855-Q857 VanDerWaalsContact C-N 3.32Å; Q855-Q857 PolarHBondContact O-N 3Å; Q857-V861 WeakPolarHBondContact O-CG2 3.45Å; Q857-V861 PolarHBondContact O-N 2.9Å
858A71.1Confident70.3Confident61 Ų61102.2 Ų102.250%0.50452%0.524SS..Hα-helixtrans-66.4-43170.700000112.1S854 Q855 Q856 F860 V861 H862S854-A858 WeakPolarHBondContact O-CB 3.4Å; S854-A858 PolarHBondContact O-N 2.92Å; S854-A858 VanDerWaalsContact O-N 3.11Å; Q855-A858 PolarHBondContact O-N 3.28Å; Q856-A858 PolarHBondContact O-N 2.98Å; A858-F860 PolarHBondContact O-N 2.93Å; A858-V861 PolarHBondContact O-N 3.38Å; A858-H862 PolarHBondContact O-N 2.81Å
859H72.5Confident70Confident145 Ų145101.9 Ų101.967%0.67152%0.522SS*.Hα-helixtrans-63.6-39.9178.8-138.3-81.6000112.1Q855 Q856 H862 H863Q855-H859 PolarHBondContact O-N 3.48Å; Q856-H859 PolarHBondContact O-N 3.24Å; H859-H862 PolarHBondContact O-N 3.12Å; H859-H863 PolarHBondContact O-N 3.19Å
860F74.1Confident70.1Confident125 Ų125103.3 Ų103.355%0.54853%0.526SS..Hα-helixtrans-63.7-43.2174.8-174.9-96.2000112.4Q856 A858 H862 H863 Q864Q856-F860 PolarHBondContact O-N 3.37Å; A858-F860 PolarHBondContact O-N 2.93Å; F860-H862 VanDerWaalsContact C-N 3.33Å; F860-H862 PolarHBondContact O-N 2.71Å; F860-H863 PolarHBondContact O-N 3.01Å; F860-Q864 WeakPolarHBondContact O-CB 3.47Å; F860-Q864 PolarHBondContact O-N 2.85Å
861V75.7Confident69.8Low86 Ų86107.8 Ų107.852%0.52154%0.536SS..Hα-helixtrans-65.7-36175.4171.40000111.6Q857 A858 T865Q857-V861 WeakPolarHBondContact O-CG2 3.45Å; Q857-V861 PolarHBondContact O-N 2.9Å; A858-V861 PolarHBondContact O-N 3.38Å; V861-T865 WeakPolarHBondContact O-CB 3.49Å; V861-T865 PolarHBondContact O-N 3.44Å; V861-T865 PolarHBondContact O-OG1 2.9Å
862H75.5Confident69.1Low109 Ų109106.1 Ų106.151%0.50554%0.538SS..Hα-helixtrans-64.6-50.2175-170-96.1000111.4A858 H859 F860 Q864 T865 Q866A858-H862 PolarHBondContact O-N 2.81Å; H859-H862 PolarHBondContact O-N 3.12Å; F860-H862 VanDerWaalsContact C-N 3.33Å; F860-H862 PolarHBondContact O-N 2.71Å; H862-Q864 PolarHBondContact O-N 3.4Å; H862-T865 WeakPolarHBondContact O-CA 3.39Å; H862-T865 WeakPolarHBondContact O-CB 3.34Å; H862-T865 PolarHBondContact O-N 3.22Å; H862-Q866 VanDerWaalsContact CE1-CD 3.44Å; H862-Q866 PolarHBondContact CE1-NE2 3.14Å; H862-Q866 PolarHBondContact ND1-OE1 3.43Å; H862-Q866 PolarHBondContact O-N 2.99Å
863H73.4Confident68.1Low107 Ų107108.6 Ų108.650%0.49555%0.55SS..Hα-helixtrans-58.6-46.5176.7-170-61.6000112H859 F860 T865 Q866 S867H859-H863 PolarHBondContact O-N 3.19Å; F860-H863 PolarHBondContact O-N 3.01Å; H863-T865 PolarHBondContact O-N 3.42Å; H863-Q866 PolarHBondContact O-N 3.45Å; H863-S867 PolarHBondContact ND1-OG 2.94Å; H863-S867 PolarHBondContact O-N 2.86Å; H863-S867 PolarHBondContact O-OG 3.28Å; H863-S867 VanDerWaalsContact O-OG 3.07Å
864Q73.9Confident67Low93 Ų93108.7 Ų108.744%0.43555%0.55SS..Hα-helixtrans-64.6-22.9177.9-161.3-173.897.600112.6F860 H862 K868F860-Q864 WeakPolarHBondContact O-CB 3.47Å; F860-Q864 PolarHBondContact O-N 2.85Å; H862-Q864 PolarHBondContact O-N 3.4Å; Q864-K868 WeakPolarHBondContact O-CG 3.34Å
865T70.9Confident65.9Low72 Ų72113.1 Ų113.144%0.44256%0.562SS.*Hα-helixtrans-76.9-45.6173.5-56.60000111V861 H862 H863 K868 Q869V861-T865 WeakPolarHBondContact O-CB 3.49Å; V861-T865 PolarHBondContact O-N 3.44Å; V861-T865 PolarHBondContact O-OG1 2.9Å; H862-T865 WeakPolarHBondContact O-CA 3.39Å; H862-T865 WeakPolarHBondContact O-CB 3.34Å; H862-T865 PolarHBondContact O-N 3.22Å; H863-T865 PolarHBondContact O-N 3.42Å; T865-K868 PolarHBondContact O-N 2.59Å; T865-Q869 PolarHBondContact O-N 3.33Å
866Q69Low64.1Low88 Ų88115.4 Ų115.441%0.41157%0.573SS.*Hα-helixtrans-61.6-44.5176.4-71.7-179.4-5400112H862 H863 K868 Q869 I870H862-Q866 VanDerWaalsContact CE1-CD 3.44Å; H862-Q866 PolarHBondContact CE1-NE2 3.14Å; H862-Q866 PolarHBondContact ND1-OE1 3.43Å; H862-Q866 PolarHBondContact O-N 2.99Å; H863-Q866 PolarHBondContact O-N 3.45Å; Q866-K868 PolarHBondContact O-N 2.9Å; Q866-Q869 PolarHBondContact O-N 3.5Å; Q866-Q869 VanDerWaalsContact O-N 3.1Å; Q866-I870 WeakPolarHBondContact O-CG1 3.41Å; Q866-I870 PolarHBondContact O-N 3.4Å
867S68.6Low62.5Low46 Ų46115 Ų11532%0.32258%0.581SS.*Hα-helixtrans-56.8-37.9175.8-54.20000112.6H863 Q871H863-S867 PolarHBondContact ND1-OG 2.94Å; H863-S867 PolarHBondContact O-N 2.86Å; H863-S867 PolarHBondContact O-OG 3.28Å; H863-S867 VanDerWaalsContact O-OG 3.07Å; S867-Q871 WeakPolarHBondContact O-CG 3.48Å; S867-Q871 PolarHBondContact O-N 2.93Å; S867-Q871 VanDerWaalsContact O-N 3.14Å
868K67.4Low60.6Low125 Ų125117.4 Ų117.454%0.54359%0.592SS.*Hα-helixtrans-72.3-36.5176.5-73.5174179.9170.80112.8Q864 T865 Q866 S872Q864-K868 WeakPolarHBondContact O-CG 3.34Å; T865-K868 PolarHBondContact O-N 2.59Å; Q866-K868 PolarHBondContact O-N 2.9Å; K868-S872 PolarHBondContact O-N 3.42Å; K868-S872 PolarHBondContact O-OG 3.45Å
869Q63.5Low59Low113 Ų113123 Ų12353%0.52861%0.608SS.*Hα-helixtrans-64.3-42.6173.7-75.2-173-59.100111.9T865 Q866 S872 Q873T865-Q869 PolarHBondContact O-N 3.33Å; Q866-Q869 PolarHBondContact O-N 3.5Å; Q866-Q869 VanDerWaalsContact O-N 3.1Å; Q869-S872 WeakPolarHBondContact CA-OG 3.38Å; Q869-S872 PolarHBondContact O-N 2.98Å; Q869-S872 PolarHBondContact O-OG 2.92Å; Q869-Q873 PolarHBondContact O-N 3.45Å
870I64Low57.2Low104 Ų104121.4 Ų121.453%0.53361%0.609SS.*Hα-helixtrans-62-47.4177.6-65.7164.6000110.5Q866 S872 Q873Q866-I870 WeakPolarHBondContact O-CG1 3.41Å; Q866-I870 PolarHBondContact O-N 3.4Å; I870-S872 VanDerWaalsContact C-N 3.28Å; I870-S872 PolarHBondContact O-N 2.9Å; I870-Q873 PolarHBondContact O-N 3.17Å; I870-Q873 VanDerWaalsContact O-N 3.12Å
871Q55.2Low55.3Low134 Ų134122.7 Ų122.763%0.62662%0.616SS**Hα-helixtrans-58.9-37.7175.1-74.7177-18.500112.6S867 Q873 Q874S867-Q871 WeakPolarHBondContact O-CG 3.48Å; S867-Q871 PolarHBondContact O-N 2.93Å; S867-Q871 VanDerWaalsContact O-N 3.14Å; Q871-Q873 VanDerWaalsContact C-N 3.28Å; Q871-Q873 PolarHBondContact O-N 3.36Å; Q871-Q874 PolarHBondContact O-N 3.24Å
872S52Low53.4Low86 Ų86125.9 Ų125.960%0.60163%0.626SS**Hα-helixtrans-71.3-14.9178.166.80000115.2K868 Q869 I870K868-S872 PolarHBondContact O-N 3.42Å; K868-S872 PolarHBondContact O-OG 3.45Å; Q869-S872 WeakPolarHBondContact CA-OG 3.38Å; Q869-S872 PolarHBondContact O-N 2.98Å; Q869-S872 PolarHBondContact O-OG 2.92Å; I870-S872 VanDerWaalsContact C-N 3.28Å; I870-S872 PolarHBondContact O-N 2.9Å
873Q50.5Low51.5Low158 Ų158129.1 Ų129.174%0.73864%0.641SS**Hα-helixtrans-93.2-14.7177.4-70.1-178.239.600113.5Q869 I870 Q871 H875Q869-Q873 PolarHBondContact O-N 3.45Å; I870-Q873 PolarHBondContact O-N 3.17Å; I870-Q873 VanDerWaalsContact O-N 3.12Å; Q871-Q873 VanDerWaalsContact C-N 3.28Å; Q871-Q873 PolarHBondContact O-N 3.36Å; Q873-H875 PolarHBondContact O-N 3.46Å
874Q46.3Very low49.8Very low142 Ų142129.2 Ų129.266%0.66465%0.651SS**SBendtrans-90.112.1-178.8-70.3-173.4-26.300114.3Q871Q871-Q874 PolarHBondContact O-N 3.24Å
875H42.2Very low47.9Very low172 Ų172136.4 Ų136.480%0.79667%0.674SS**  trans-129.678.9-176.9-83.127000112.3Q873Q873-H875 PolarHBondContact O-N 3.46Å
876Q36.5Very low46.1Very low183 Ų183137.7 Ų137.786%0.85569%0.686SS**  trans-141.8111.7166-167.8169.169.800109.7
877P38.8Very low44.4Very low123 Ų123141.3 Ų141.380%0.79970%0.703SS**  trans-86.3147.5-173.433.3-34.6000113.1
878Q32.3Very low42.9Very low193 Ų193147.4 Ų147.490%0.90272%0.724SS**  trans-94.2139176-67-178.5-5.700112.8
879Q37.1Very low41.4Very low180 Ų180148.7 Ų148.784%0.84173%0.732SS**  trans-147.4152.2160-52.2-174.9-8.500106
880T33.6Very low40.2Very low111 Ų111151 Ų15168%0.68174%0.741SS**  cis-154.7136.415-31.90000111.6
881Q35.8Very low39Very low151 Ų151155.4 Ų155.471%0.70675%0.752SS**  trans40.6128.3146.7-66.4174.66.800124.9
882Q34.4Very low38.4Very low154 Ų154157.4 Ų157.472%0.7276%0.762SS**  63150.8125.5-54.1172.619.800119.7
883Q36.7Very low37.9Very low176 Ų176158.4 Ų158.482%0.82277%0.766SS**  cis-139.2178.224.9-87-165.6-1.600113.9
884P37.4Very low37.5Very low109 Ų109159.7 Ų159.771%0.70877%0.772SS**  trans-123.4-178.2-160.744.1-33.1000118
885R34.3Very low37.4Very low245 Ų245161 Ų16193%0.92578%0.776SS**  trans74.8151168-83179.3166.7168-5.3116.1
886S32.7Very low37.5Very low99 Ų99156.1 Ų156.169%0.69277%0.765SS**  cis-164.7137.21.5140.40000112.3
887Q34.1Very low38Very low163 Ų163154.2 Ų154.276%0.76276%0.756SS**  177.5167.5128.3-103.8-169.8-4.200114.2
888F37Very low38.3Very low174 Ų174155.3 Ų155.376%0.76375%0.75SS**  trans5858.6164.4-72.4-68.4000121.5
889Q35Very low38.9Very low153 Ų153154 Ų15472%0.71574%0.742SS**  9.4116.4113.8-163.6-175.919.400118.6
890F37.6Very low39.3Very low162 Ų162151.9 Ų151.971%0.71173%0.732SS**  173.2154.7115.1-103.7-75.6000114.6
891Y40.2Very low40.3Very low195 Ų195153.4 Ų153.477%0.76573%0.731SS**  trans67.184.1163.6-91.9-80.6000123.6
892Q41.8Very low40.9Very low177 Ų177149.3 Ų149.383%0.82772%0.719SS**  trans57.6157.5131.7-75.2-161.6-13.100124.7
893P40.9Very low42Very low107 Ų107145.9 Ų145.970%0.69571%0.709SS**  trans-123.5152.1-165.540.4-24.6000116.6
894Q42.6Very low43.3Very low184 Ų184139.2 Ų139.286%0.8669%0.687SS**  trans-137.7-24.3158.2-80.2-155.6-18.500115.7A896Q894-A896 VanDerWaalsContact C-N 3.28Å; Q894-A896 PolarHBondContact O-N 2.93Å; Q894-A896 VanDerWaalsContact O-N 3.12Å
895F44Very low44.3Very low171 Ų171140.2 Ų140.275%0.7568%0.682SS**THydrogen-bonded Turntrans-74.5-2.1-169.5-70-78000116.9
896A44.3Very low45.6Very low69 Ų69134.6 Ų134.657%0.5767%0.67SS**Hα-helixtrans-67.9-38.7-17200000114.5Q894Q894-A896 VanDerWaalsContact C-N 3.28Å; Q894-A896 PolarHBondContact O-N 2.93Å; Q894-A896 VanDerWaalsContact O-N 3.12Å
897H48.2Very low47.5Very low143 Ų143136.5 Ų136.566%0.66267%0.668SS**Hα-helixtrans-74.3-32.4-173.8-85.4-79.4000113.9F899 Q900H897-F899 PolarHBondContact O-N 3Å; H897-Q900 PolarHBondContact O-N 2.93Å
898Q44.1Very low49.3Very low146 Ų146135.4 Ų135.468%0.68266%0.663SS**Hα-helixtrans-71.4-33.7-174.6-163.6167.33.600112.2Q900 S902Q898-Q900 PolarHBondContact O-N 3.11Å; Q898-S902 PolarHBondContact O-N 2.71Å; Q898-S902 PolarHBondContact O-OG 2.92Å
899F44.3Very low51.1Low164 Ų164132.5 Ų132.572%0.71966%0.655SS**Hα-helixtrans-67.2-32.1175.6-105.8-89.1000113.5H897 T903H897-F899 PolarHBondContact O-N 3Å; F899-T903 PolarHBondContact O-N 3.49Å; F899-T903 PolarHBondContact O-OG1 3.24Å
900Q47.3Very low53.2Low136 Ų136130.3 Ų130.364%0.63665%0.645SS**Hα-helixtrans-72.6-34.8179.4-69.8-172.3-25.600112.9H897 Q898 T903 G904H897-Q900 PolarHBondContact O-N 2.93Å; Q898-Q900 PolarHBondContact O-N 3.11Å; Q900-T903 PolarHBondContact O-OG1 2.91Å; Q900-G904 PolarHBondContact O-N 3.3Å; Q900-G904 VanDerWaalsContact O-N 3.15Å
901H53.2Low55.3Low144 Ų144129.1 Ų129.167%0.66764%0.642SS**Hα-helixtrans-66.7-40.6172.9-93.2-85.5000112.3G904 Q905H901-G904 PolarHBondContact O-N 2.94Å; H901-Q905 PolarHBondContact O-N 3.38Å; H901-Q905 VanDerWaalsContact O-N 3.16Å
902S49.7Very low57.3Low65 Ų65125.3 Ų125.346%0.45563%0.63SS.*Hα-helixtrans-66.4-37.4-179.4-57.30000113.4Q898 L906Q898-S902 PolarHBondContact O-N 2.71Å; Q898-S902 PolarHBondContact O-OG 2.92Å; S902-L906 PolarHBondContact O-N 3.38Å
903T56.8Low59.3Low82 Ų82123 Ų12350%0.50362%0.62SS.*Hα-helixtrans-73.1-34.3173.749.70000112.3F899 Q900 Q907F899-T903 PolarHBondContact O-N 3.49Å; F899-T903 PolarHBondContact O-OG1 3.24Å; Q900-T903 PolarHBondContact O-OG1 2.91Å; T903-Q907 PolarHBondContact O-N 3.46Å; T903-Q907 VanDerWaalsContact O-N 3.14Å
904G63Low61.4Low35 Ų35123.4 Ų123.436%0.36161%0.613SS.*Hα-helixtrans-58.6-46.1174.700000113.5Q900 H901 Q907 Q908Q900-G904 PolarHBondContact O-N 3.3Å; Q900-G904 VanDerWaalsContact O-N 3.15Å; H901-G904 PolarHBondContact O-N 2.94Å; G904-Q907 PolarHBondContact O-N 3.35Å; G904-Q908 PolarHBondContact O-N 2.85Å
905Q59.7Low63.5Low131 Ų131119 Ų11961%0.61260%0.596SS**Hα-helixtrans-65.2-47.2178.5-73-170.2-55.200112.6H901 Q907 Q908 D909H901-Q905 PolarHBondContact O-N 3.38Å; H901-Q905 VanDerWaalsContact O-N 3.16Å; Q905-Q907 PolarHBondContact O-N 3.36Å; Q905-Q908 PolarHBondContact O-N 2.81Å; Q905-D909 PolarHBondContact O-N 2.85Å
906L61Low65.6Low127 Ų127116.6 Ų116.667%0.66559%0.587SS**Hα-helixtrans-57.5-34.5177-85166.3000112.7S902 H910S902-L906 PolarHBondContact O-N 3.38Å; L906-H910 WeakPolarHBondContact O-CB 3.42Å; L906-H910 PolarHBondContact O-N 2.96Å; L906-H910 VanDerWaalsContact O-N 3.13Å
907Q71.7Confident67.5Low139 Ų139118 Ų11865%0.6558%0.581SS**Hα-helixtrans-77.5-30.6177.7-166.6152.40.400112.9T903 G904 Q905 Q911T903-Q907 PolarHBondContact O-N 3.46Å; T903-Q907 VanDerWaalsContact O-N 3.14Å; G904-Q907 PolarHBondContact O-N 3.35Å; Q905-Q907 PolarHBondContact O-N 3.36Å; Q907-Q911 PolarHBondContact O-N 2.94Å; Q907-Q911 VanDerWaalsContact O-N 3.1Å
908Q73.2Confident69.5Low139 Ų139117 Ų11765%0.6558%0.577SS**Hα-helixtrans-67.7-45.9169.6-75.8-174.7-27.700112.1G904 Q905 H910 Q911 H912G904-Q908 PolarHBondContact O-N 2.85Å; Q905-Q908 PolarHBondContact O-N 2.81Å; Q908-H910 VanDerWaalsContact C-N 3.31Å; Q908-H910 PolarHBondContact O-N 3.23Å; Q908-Q911 PolarHBondContact O-N 2.97Å; Q908-H912 WeakPolarHBondContact O-CB 3.4Å; Q908-H912 PolarHBondContact O-N 3.28Å
909D73.8Confident71.7Confident113 Ų113116.5 Ų116.560%0.60457%0.574SS**Hα-helixtrans-59.4-41.9176.1-83.3-36.1000111.6Q905 H912 Q913Q905-D909 PolarHBondContact O-N 2.85Å; D909-H912 PolarHBondContact O-N 3.05Å; D909-Q913 WeakPolarHBondContact O-CB 3.41Å; D909-Q913 PolarHBondContact O-N 2.88Å
910H79Confident73.7Confident107 Ų107114.6 Ų114.650%0.49557%0.568SS.*Hα-helixtrans-67.7-36.7177.9-160.265000112.7L906 Q908 M914L906-H910 WeakPolarHBondContact O-CB 3.42Å; L906-H910 PolarHBondContact O-N 2.96Å; L906-H910 VanDerWaalsContact O-N 3.13Å; Q908-H910 VanDerWaalsContact C-N 3.31Å; Q908-H910 PolarHBondContact O-N 3.23Å; H910-M914 WeakPolarHBondContact O-CB 3.49Å; H910-M914 WeakPolarHBondContact O-CG 3.28Å; H910-M914 PolarHBondContact O-N 3.45Å
911Q82.1Confident75.6Confident138 Ų138111.6 Ų111.665%0.64556%0.559SS**Hα-helixtrans-63.1-43169.6-81.3-170.4-22.900111.9Q907 Q908 M914 L915Q907-Q911 PolarHBondContact O-N 2.94Å; Q907-Q911 VanDerWaalsContact O-N 3.1Å; Q908-Q911 PolarHBondContact O-N 2.97Å; Q911-M914 PolarHBondContact O-N 2.89Å; Q911-L915 WeakPolarHBondContact O-CB 3.01Å; Q911-L915 PolarHBondContact O-N 2.94Å
912H82.5Confident77.3Confident115 Ų115109.6 Ų109.653%0.53255%0.552SS.*Hα-helixtrans-65.9-41.3-179-150.898.2000111.6Q908 D909 L915 Q916Q908-H912 WeakPolarHBondContact O-CB 3.4Å; Q908-H912 PolarHBondContact O-N 3.28Å; D909-H912 PolarHBondContact O-N 3.05Å; H912-L915 PolarHBondContact O-N 3.45Å; H912-Q916 WeakPolarHBondContact O-CG 3.42Å; H912-Q916 PolarHBondContact O-N 3.28Å
913Q84.9Confident79.1Confident128 Ų128111.8 Ų111.860%0.59856%0.555SS**Hα-helixtrans-65.4-41.5174.5-171.3175.55600112.3D909 L915 Q916 H917D909-Q913 WeakPolarHBondContact O-CB 3.41Å; D909-Q913 PolarHBondContact O-N 2.88Å; Q913-L915 VanDerWaalsContact C-N 3.34Å; Q913-Q916 PolarHBondContact O-N 3.37Å; Q913-H917 WeakPolarHBondContact O-CB 3.43Å; Q913-H917 PolarHBondContact O-N 3.41Å
914M83.9Confident80.5Confident115 Ų115112.6 Ų112.657%0.56756%0.556SS**Hα-helixtrans-61.8-40.4173.2-83.9-71.4-70.500112.3H910 Q911 H917 Q918H910-M914 WeakPolarHBondContact O-CB 3.49Å; H910-M914 WeakPolarHBondContact O-CG 3.28Å; H910-M914 PolarHBondContact O-N 3.45Å; Q911-M914 PolarHBondContact O-N 2.89Å; M914-H917 PolarHBondContact O-N 2.91Å; M914-Q918 WeakPolarHBondContact O-CB 3.35Å; M914-Q918 PolarHBondContact O-N 3.4Å
915L87.9Confident81.7Confident93 Ų93117 Ų11749%0.48757%0.566SS.*Hα-helixtrans-68-42.9178.5-16767.5000111.7Q911 H912 Q913 H917 Q918 Q919Q911-L915 WeakPolarHBondContact O-CB 3.01Å; Q911-L915 PolarHBondContact O-N 2.94Å; H912-L915 PolarHBondContact O-N 3.45Å; Q913-L915 VanDerWaalsContact C-N 3.34Å; L915-H917 PolarHBondContact O-N 3.21Å; L915-Q918 PolarHBondContact O-N 3.29Å; L915-Q919 WeakPolarHBondContact O-CB 3.27Å; L915-Q919 PolarHBondContact O-N 2.94Å
916Q87.1Confident83.2Confident120 Ų120116.2 Ų116.256%0.56156%0.563SS**Hα-helixtrans-59.8-43.8172.2-74.1-175.95.900111.8H912 Q913 Q919 Q920H912-Q916 WeakPolarHBondContact O-CG 3.42Å; H912-Q916 PolarHBondContact O-N 3.28Å; Q913-Q916 PolarHBondContact O-N 3.37Å; Q916-Q919 PolarHBondContact O-N 3.25Å; Q916-Q920 WeakPolarHBondContact O-CB 3.49Å; Q916-Q920 PolarHBondContact O-N 2.94Å
917H85.1Confident84.5Confident99 Ų99114.8 Ų114.846%0.45855%0.553SS.*Hα-helixtrans-65.4-41.8178.6-169.259.1000112.2Q913 M914 L915 Q919 Q920 V921Q913-H917 WeakPolarHBondContact O-CB 3.43Å; Q913-H917 PolarHBondContact O-N 3.41Å; M914-H917 PolarHBondContact O-N 2.91Å; L915-H917 PolarHBondContact O-N 3.21Å; H917-Q919 VanDerWaalsContact C-N 3.33Å; H917-Q919 PolarHBondContact O-N 3.48Å; H917-Q920 PolarHBondContact O-N 3.29Å; H917-V921 WeakPolarHBondContact O-CG2 3.47Å; H917-V921 PolarHBondContact O-N 3.29Å
918Q88.3Confident85.3Confident120 Ų120112.1 Ų112.156%0.56154%0.543SS*.Hα-helixtrans-58.3-45.7173.2-174.9-172.596.200111.3M914 L915 Q920 V921 I922M914-Q918 WeakPolarHBondContact O-CB 3.35Å; M914-Q918 PolarHBondContact O-N 3.4Å; L915-Q918 PolarHBondContact O-N 3.29Å; Q918-Q920 PolarHBondContact O-N 3.47Å; Q918-V921 PolarHBondContact O-N 2.95Å; Q918-I922 HydrophobicContact CG-CD1 4.1Å; Q918-I922 WeakPolarHBondContact O-CG1 3.18Å; Q918-I922 PolarHBondContact O-N 2.9Å
919Q90.5Very high86.1Confident136 Ų136110.6 Ų110.664%0.63654%0.536SS*.Hα-helixtrans-65.2-38.9-179.2-157.3165.3100.800112L915 Q916 H917 I922 Q923L915-Q919 WeakPolarHBondContact O-CB 3.27Å; L915-Q919 PolarHBondContact O-N 2.94Å; Q916-Q919 PolarHBondContact O-N 3.25Å; H917-Q919 VanDerWaalsContact C-N 3.33Å; H917-Q919 PolarHBondContact O-N 3.48Å; Q919-I922 PolarHBondContact O-N 3.19Å; Q919-Q923 PolarHBondContact O-N 2.95Å
920Q87.5Confident86.8Confident124 Ų124109.9 Ų109.958%0.57953%0.528SS*.Hα-helixtrans-64.6-39.1173-168.818043.400112.5Q916 H917 Q918 Q923 L924Q916-Q920 WeakPolarHBondContact O-CB 3.49Å; Q916-Q920 PolarHBondContact O-N 2.94Å; H917-Q920 PolarHBondContact O-N 3.29Å; Q918-Q920 PolarHBondContact O-N 3.47Å; Q920-Q923 PolarHBondContact O-N 2.66Å; Q920-L924 WeakPolarHBondContact O-CB 3.4Å; Q920-L924 PolarHBondContact O-N 3.47Å
921V86.9Confident87.3Confident74 Ų74110.5 Ų110.545%0.44853%0.531SS..Hα-helixtrans-66.8-39.7175.7169.30000111.6H917 Q918 L924 H925H917-V921 WeakPolarHBondContact O-CG2 3.47Å; H917-V921 PolarHBondContact O-N 3.29Å; Q918-V921 PolarHBondContact O-N 2.95Å; V921-L924 PolarHBondContact O-N 3.49Å; V921-H925 WeakPolarHBondContact O-CB 3.4Å; V921-H925 PolarHBondContact O-N 3.37Å
922I88.1Confident87.6Confident101 Ų101108.8 Ų108.852%0.51852%0.524SS..Hα-helixtrans-61.6-46.3174.6-69164.2000110.5Q918 Q919 L924 H925 Q926Q918-I922 HydrophobicContact CG-CD1 4.1Å; Q918-I922 WeakPolarHBondContact O-CG1 3.18Å; Q918-I922 PolarHBondContact O-N 2.9Å; Q919-I922 PolarHBondContact O-N 3.19Å; I922-L924 PolarHBondContact O-N 3.28Å; I922-H925 PolarHBondContact O-N 2.92Å; I922-Q926 PolarHBondContact O-N 2.8Å
923Q87.9Confident87.9Confident111 Ų111108.4 Ų108.452%0.51952%0.522SS..Hα-helixtrans-61.7-42.4178.2-166.8177.730.500112.1Q919 Q920 Q926 Q927Q919-Q923 PolarHBondContact O-N 2.95Å; Q920-Q923 PolarHBondContact O-N 2.66Å; Q923-Q926 PolarHBondContact O-N 3.01Å; Q923-Q927 PolarHBondContact O-N 3.44Å
924L87.4Confident88.1Confident100 Ų100106.3 Ų106.352%0.52451%0.512SS..Hα-helixtrans-63.2-40.5175.3-173.771.1000112.1Q920 V921 I922 Q927 L928Q920-L924 WeakPolarHBondContact O-CB 3.4Å; Q920-L924 PolarHBondContact O-N 3.47Å; V921-L924 PolarHBondContact O-N 3.49Å; I922-L924 PolarHBondContact O-N 3.28Å; L924-Q927 PolarHBondContact O-N 2.98Å; L924-L928 WeakPolarHBondContact O-CB 3.32Å; L924-L928 PolarHBondContact O-N 2.99Å
925H86.8Confident87.9Confident127 Ų127103.9 Ų103.959%0.58850%0.504SS*.Hα-helixtrans-65.8-41.6178.3-160.8100.1000111.6V921 I922 L928 Q929V921-H925 WeakPolarHBondContact O-CB 3.4Å; V921-H925 PolarHBondContact O-N 3.37Å; I922-H925 PolarHBondContact O-N 2.92Å; H925-L928 PolarHBondContact O-N 3.49Å; H925-Q929 WeakPolarHBondContact O-CB 3.4Å; H925-Q929 PolarHBondContact O-N 2.73Å
926Q91.2Very high87.8Confident114 Ų114105 Ų10553%0.53351%0.507SS..Hα-helixtrans-63.8-41.6175.4-172.5174.571.900111.9I922 Q923 L928 Q929 Q930I922-Q926 PolarHBondContact O-N 2.8Å; Q923-Q926 PolarHBondContact O-N 3.01Å; Q926-L928 PolarHBondContact O-N 2.89Å; Q926-Q929 PolarHBondContact O-N 3.5Å; Q926-Q930 WeakPolarHBondContact O-CG 3.43Å; Q926-Q930 PolarHBondContact O-N 3.31Å
927Q89.3Confident87.8Confident97 Ų97105 Ų10545%0.45351%0.506SS..Hα-helixtrans-62.3-41.4174.5-171-178.612.700112Q923 L924 Q930 Q931Q923-Q927 PolarHBondContact O-N 3.44Å; L924-Q927 PolarHBondContact O-N 2.98Å; Q927-Q930 PolarHBondContact O-N 3.3Å; Q927-Q931 PolarHBondContact O-N 3.46Å
928L88.6Confident87.7Confident84 Ų84104.8 Ų104.844%0.4451%0.506SS..Hα-helixtrans-65-39.4176.5-175.864.5000111.9L924 H925 Q926 Q931 Q932L924-L928 WeakPolarHBondContact O-CB 3.32Å; L924-L928 PolarHBondContact O-N 2.99Å; H925-L928 PolarHBondContact O-N 3.49Å; Q926-L928 PolarHBondContact O-N 2.89Å; L928-Q931 PolarHBondContact O-N 3Å; L928-Q932 WeakPolarHBondContact O-CG 3.38Å; L928-Q932 PolarHBondContact O-N 3.35Å
929Q89.9Confident87.4Confident107 Ų107104.8 Ų104.850%0.551%0.506SS..Hα-helixtrans-64.9-42.7176.9-165.91783000111.7H925 Q926 Q931 Q932 Q933H925-Q929 WeakPolarHBondContact O-CB 3.4Å; H925-Q929 PolarHBondContact O-N 2.73Å; Q926-Q929 PolarHBondContact O-N 3.5Å; Q929-Q931 PolarHBondContact O-N 3.47Å; Q929-Q932 PolarHBondContact O-N 3.29Å; Q929-Q933 WeakPolarHBondContact O-CG 3.32Å; Q929-Q933 PolarHBondContact O-N 2.97Å
930Q89Confident87.1Confident97 Ų97103.1 Ų103.145%0.45351%0.505SS..Hα-helixtrans-61.3-42.2172.9-70.5174.89.400111.9Q926 Q927 Q932 Q933 Q934Q926-Q930 WeakPolarHBondContact O-CG 3.43Å; Q926-Q930 PolarHBondContact O-N 3.31Å; Q927-Q930 PolarHBondContact O-N 3.3Å; Q930-Q932 VanDerWaalsContact C-N 3.34Å; Q930-Q932 PolarHBondContact O-N 2.93Å; Q930-Q933 PolarHBondContact O-N 3.3Å; Q930-Q934 WeakPolarHBondContact O-CG 3.44Å; Q930-Q934 PolarHBondContact O-N 3.33Å
931Q87.9Confident87.1Confident120 Ų120103.2 Ų103.256%0.56151%0.505SS*.Hα-helixtrans-62.9-38.5176.3-177.4174.281.400112.3Q927 L928 Q929 T935Q927-Q931 PolarHBondContact O-N 3.46Å; L928-Q931 PolarHBondContact O-N 3Å; Q929-Q931 PolarHBondContact O-N 3.47Å; Q931-T935 WeakPolarHBondContact O-CB 3.48Å; Q931-T935 PolarHBondContact O-N 3.49Å; Q931-T935 PolarHBondContact O-OG1 3.48Å
932Q89.3Confident86.7Confident103 Ų103103.6 Ų103.648%0.48151%0.508SS..Hα-helixtrans-64.6-43.6174.2-71.8-179.627.200111.9L928 Q929 Q930 T935 Q936L928-Q932 WeakPolarHBondContact O-CG 3.38Å; L928-Q932 PolarHBondContact O-N 3.35Å; Q929-Q932 PolarHBondContact O-N 3.29Å; Q930-Q932 VanDerWaalsContact C-N 3.34Å; Q930-Q932 PolarHBondContact O-N 2.93Å; Q932-T935 WeakPolarHBondContact O-CB 3.45Å; Q932-T935 PolarHBondContact O-N 2.89Å; Q932-Q936 WeakPolarHBondContact O-CG 3.35Å; Q932-Q936 PolarHBondContact O-N 3.43Å
933Q89.6Confident86.7Confident106 Ų106104.5 Ų104.550%0.49551%0.51SS..Hα-helixtrans-61.5-45.5176.1-71.2176.9-3.700112.1Q929 Q930 T935 Q936 Q937Q929-Q933 WeakPolarHBondContact O-CG 3.32Å; Q929-Q933 PolarHBondContact O-N 2.97Å; Q930-Q933 PolarHBondContact O-N 3.3Å; Q933-T935 VanDerWaalsContact C-N 3.3Å; Q933-T935 PolarHBondContact O-N 2.89Å; Q933-Q936 PolarHBondContact O-N 2.97Å; Q933-Q937 WeakPolarHBondContact O-CG 3.42Å; Q933-Q937 PolarHBondContact O-N 3.19Å
934Q87.1Confident86.7Confident84 Ų84104.2 Ų104.239%0.39351%0.508SS..Hα-helixtrans-61.1-38.4174.9-70.6175.811.100112.1Q930 Q937 Q938Q930-Q934 WeakPolarHBondContact O-CG 3.44Å; Q930-Q934 PolarHBondContact O-N 3.33Å; Q934-Q937 PolarHBondContact O-N 3.37Å; Q934-Q938 WeakPolarHBondContact O-CG 3.43Å; Q934-Q938 PolarHBondContact O-N 3.33Å
935T81.3Confident86.7Confident64 Ų64104 Ų10439%0.39351%0.505SS..Hα-helixtrans-65.7-42.7177-55.70000111.5Q931 Q932 Q933 Q938 Q939Q931-T935 WeakPolarHBondContact O-CB 3.48Å; Q931-T935 PolarHBondContact O-N 3.49Å; Q931-T935 PolarHBondContact O-OG1 3.48Å; Q932-T935 WeakPolarHBondContact O-CB 3.45Å; Q932-T935 PolarHBondContact O-N 2.89Å; Q933-T935 VanDerWaalsContact C-N 3.3Å; Q933-T935 PolarHBondContact O-N 2.89Å; T935-Q938 PolarHBondContact O-N 3.45Å; T935-Q939 WeakPolarHBondContact O-CG 3.5Å; T935-Q939 PolarHBondContact O-N 2.94Å
936Q85.8Confident86.7Confident117 Ų117104.3 Ų104.355%0.54751%0.507SS..Hα-helixtrans-64.2-43175.1-70.8176.716.700111.6Q932 Q933 Q938 Q939 T940Q932-Q936 WeakPolarHBondContact O-CG 3.35Å; Q932-Q936 PolarHBondContact O-N 3.43Å; Q933-Q936 PolarHBondContact O-N 2.97Å; Q936-Q938 PolarHBondContact O-N 3.49Å; Q936-Q939 PolarHBondContact O-N 3.38Å; Q936-T940 PolarHBondContact O-N 2.91Å; Q936-T940 PolarHBondContact O-OG1 3.4Å
937Q85.9Confident86.6Confident119 Ų119103.3 Ų103.356%0.55650%0.502SS*.Hα-helixtrans-60.3-43.7176.2-73.3176.5-0.100112.2Q933 Q934 T940 Q941Q933-Q937 WeakPolarHBondContact O-CG 3.42Å; Q933-Q937 PolarHBondContact O-N 3.19Å; Q934-Q937 PolarHBondContact O-N 3.37Å; Q937-T940 PolarHBondContact O-N 3.01Å; Q937-Q941 WeakPolarHBondContact O-CB 3.35Å; Q937-Q941 VanDerWaalsContact O-CG 3.3Å; Q937-Q941 WeakPolarHBondContact O-CG 3.39Å; Q937-Q941 PolarHBondContact O-N 3.46Å
938Q82.5Confident86.6Confident96 Ų96102.8 Ų102.845%0.44950%0.499SS..Hα-helixtrans-63.5-40.2174.4-72.8-179.720.500112.1Q934 T935 Q936 Q941 T942Q934-Q938 WeakPolarHBondContact O-CG 3.43Å; Q934-Q938 PolarHBondContact O-N 3.33Å; T935-Q938 PolarHBondContact O-N 3.45Å; Q936-Q938 PolarHBondContact O-N 3.49Å; Q938-Q941 PolarHBondContact O-N 3.07Å; Q938-T942 WeakPolarHBondContact O-CG2 3.31Å; Q938-T942 PolarHBondContact O-N 2.69Å; Q938-T942 PolarHBondContact O-OG1 3.4Å
939Q84Confident86.4Confident120 Ų120103.1 Ų103.156%0.56150%0.501SS*.Hα-helixtrans-61.1-47.5175-73.7174.56.600111.5T935 Q936 Q941 T942 H943T935-Q939 WeakPolarHBondContact O-CG 3.5Å; T935-Q939 PolarHBondContact O-N 2.94Å; Q936-Q939 PolarHBondContact O-N 3.38Å; Q939-Q941 VanDerWaalsContact C-N 3.35Å; Q939-Q941 PolarHBondContact O-N 3.01Å; Q939-T942 PolarHBondContact O-N 3.3Å; Q939-T942 PolarHBondContact O-OG1 2.97Å; Q939-H943 PolarHBondContact O-N 2.95Å
940T84.1Confident86.1Confident101 Ų101104.3 Ų104.362%0.6251%0.508SS*.Hα-helixtrans-60.5-41.6175.6-56.40000112.2Q936 Q937 H943 H944Q936-T940 PolarHBondContact O-N 2.91Å; Q936-T940 PolarHBondContact O-OG1 3.4Å; Q937-T940 PolarHBondContact O-N 3.01Å; T940-H943 PolarHBondContact O-N 2.95Å; T940-H944 WeakPolarHBondContact O-CB 3.49Å; T940-H944 PolarHBondContact O-N 2.69Å
941Q85.9Confident86Confident125 Ų125105.3 Ų105.358%0.58451%0.513SS*.Hα-helixtrans-62.7-46.9175.6-74.8173.22.100112.1Q937 Q938 Q939 H943 H944 Q945Q937-Q941 WeakPolarHBondContact O-CB 3.35Å; Q937-Q941 VanDerWaalsContact O-CG 3.3Å; Q937-Q941 WeakPolarHBondContact O-CG 3.39Å; Q937-Q941 PolarHBondContact O-N 3.46Å; Q938-Q941 PolarHBondContact O-N 3.07Å; Q939-Q941 VanDerWaalsContact C-N 3.35Å; Q939-Q941 PolarHBondContact O-N 3.01Å; Q941-H943 PolarHBondContact O-N 3.4Å; Q941-H944 PolarHBondContact O-N 3.01Å; Q941-Q945 WeakPolarHBondContact O-CB 3.39Å; Q941-Q945 PolarHBondContact O-N 2.9Å
942T80.2Confident85.8Confident82 Ų82105.3 Ų105.350%0.50351%0.513SS..Hα-helixtrans-64.9-37.9177.856.60000112.6Q938 Q939 Q945 Q946Q938-T942 WeakPolarHBondContact O-CG2 3.31Å; Q938-T942 PolarHBondContact O-N 2.69Å; Q938-T942 PolarHBondContact O-OG1 3.4Å; Q939-T942 PolarHBondContact O-N 3.3Å; Q939-T942 PolarHBondContact O-OG1 2.97Å; T942-Q945 PolarHBondContact O-N 3.26Å; T942-Q946 WeakPolarHBondContact O-CB 3.35Å; T942-Q946 PolarHBondContact O-N 3.48Å
943H86.3Confident85.4Confident121 Ų121105.6 Ų105.656%0.5651%0.514SS*.Hα-helixtrans-64.4-44.2174-174.8-84000111.7Q939 T940 Q941 Q946 Q947Q939-H943 PolarHBondContact O-N 2.95Å; T940-H943 PolarHBondContact O-N 2.95Å; Q941-H943 PolarHBondContact O-N 3.4Å; H943-Q946 PolarHBondContact O-N 2.72Å; H943-Q947 WeakPolarHBondContact O-CB 3.47Å; H943-Q947 PolarHBondContact O-N 3.22Å
944H88.8Confident85.1Confident105 Ų105103.5 Ų103.549%0.48651%0.511SS..Hα-helixtrans-64.4-41.7176.6-169.673.6000111.9T940 Q941 Q946 Q947 Q948T940-H944 WeakPolarHBondContact O-CB 3.49Å; T940-H944 PolarHBondContact O-N 2.69Å; Q941-H944 PolarHBondContact O-N 3.01Å; H944-Q946 PolarHBondContact O-N 3.14Å; H944-Q947 PolarHBondContact O-N 3.22Å; H944-Q948 PolarHBondContact CD2-NE2 3.31Å; H944-Q948 VanDerWaalsContact CD2-NE2 3.26Å; H944-Q948 PolarHBondContact NE2-NE2 3.17Å; H944-Q948 WeakPolarHBondContact O-CG 3.46Å; H944-Q948 PolarHBondContact O-N 3.47Å
945Q87.3Confident84.8Confident95 Ų95101.5 Ų101.544%0.44451%0.509SS..Hα-helixtrans-62.7-41174.9-168178.434.700111.7Q941 T942 Q948 L949Q941-Q945 WeakPolarHBondContact O-CB 3.39Å; Q941-Q945 PolarHBondContact O-N 2.9Å; T942-Q945 PolarHBondContact O-N 3.26Å; Q945-Q948 PolarHBondContact O-N 3.43Å; Q945-L949 WeakPolarHBondContact O-CB 3.36Å; Q945-L949 PolarHBondContact O-N 2.99Å
946Q86.8Confident84.5Confident134 Ų134102.9 Ų102.963%0.62651%0.512SS*.Hα-helixtrans-65.6-37.8174.7-171.1173.222.500112.1T942 H943 H944 L949 M950T942-Q946 WeakPolarHBondContact O-CB 3.35Å; T942-Q946 PolarHBondContact O-N 3.48Å; H943-Q946 PolarHBondContact O-N 2.72Å; H944-Q946 PolarHBondContact O-N 3.14Å; Q946-L949 PolarHBondContact O-N 2.98Å; Q946-M950 VanDerWaalsContact O-CG 3.27Å; Q946-M950 WeakPolarHBondContact O-CG 3.44Å; Q946-M950 PolarHBondContact O-N 3.49Å
947Q89.9Confident84.2Confident92 Ų92101.7 Ų101.743%0.4351%0.509SS..Hα-helixtrans-67.5-40.6175.6-169.3174.112.900112H943 H944 M950 Q951H943-Q947 WeakPolarHBondContact O-CB 3.47Å; H943-Q947 PolarHBondContact O-N 3.22Å; H944-Q947 PolarHBondContact O-N 3.22Å; Q947-M950 PolarHBondContact O-N 3.36Å; Q947-Q951 WeakPolarHBondContact O-CG 3.33Å; Q947-Q951 PolarHBondContact O-N 2.87Å
948Q88.4Confident83.7Confident87 Ų87103 Ų10341%0.40752%0.515SS..Hα-helixtrans-62.1-42.3170.9-72.3-176.83.100111.7H944 Q945 M950 Q951 Q952H944-Q948 PolarHBondContact CD2-NE2 3.31Å; H944-Q948 VanDerWaalsContact CD2-NE2 3.26Å; H944-Q948 PolarHBondContact NE2-NE2 3.17Å; H944-Q948 WeakPolarHBondContact O-CG 3.46Å; H944-Q948 PolarHBondContact O-N 3.47Å; Q945-Q948 PolarHBondContact O-N 3.43Å; Q948-M950 PolarHBondContact O-N 3.35Å; Q948-Q951 PolarHBondContact O-N 3.39Å; Q948-Q952 WeakPolarHBondContact O-CG 3.4Å; Q948-Q952 PolarHBondContact O-N 2.95Å
949L85.5Confident83Confident91 Ų91106.7 Ų106.748%0.47653%0.532SS..Hα-helixtrans-62.7-40.3176.9-117.7162.7000112.2Q945 Q946 Q952 H953Q945-L949 WeakPolarHBondContact O-CB 3.36Å; Q945-L949 PolarHBondContact O-N 2.99Å; Q946-L949 PolarHBondContact O-N 2.98Å; L949-Q952 PolarHBondContact O-N 3.39Å; L949-H953 WeakPolarHBondContact O-CB 3.43Å; L949-H953 PolarHBondContact O-N 2.94Å
950M82.1Confident81.5Confident132 Ų132106.6 Ų106.665%0.6553%0.532SS*.Hα-helixtrans-62-43.1172.1-72-93.4-73.300112Q946 Q947 Q948 S954Q946-M950 VanDerWaalsContact O-CG 3.27Å; Q946-M950 WeakPolarHBondContact O-CG 3.44Å; Q946-M950 PolarHBondContact O-N 3.49Å; Q947-M950 PolarHBondContact O-N 3.36Å; Q948-M950 PolarHBondContact O-N 3.35Å; M950-S954 WeakPolarHBondContact O-CB 3.39Å; M950-S954 PolarHBondContact O-N 3.04Å; M950-S954 PolarHBondContact O-OG 3.48Å
951Q86.9Confident79.7Confident118 Ų118104.2 Ų104.255%0.55153%0.527SS*.Hα-helixtrans-65.1-44.4175.8-72.7172-8.800112.1Q947 Q948 S954 A955Q947-Q951 WeakPolarHBondContact O-CG 3.33Å; Q947-Q951 PolarHBondContact O-N 2.87Å; Q948-Q951 PolarHBondContact O-N 3.39Å; Q951-S954 WeakPolarHBondContact O-CB 3.32Å; Q951-S954 PolarHBondContact O-N 3.43Å; Q951-A955 WeakPolarHBondContact O-CB 3.47Å; Q951-A955 PolarHBondContact O-N 3.07Å
952Q84.6Confident77.6Confident120 Ų120105.5 Ų105.556%0.56154%0.537SS*.Hα-helixtrans-62.5-42175.5-74.6-178-5.800112.3Q948 L949 S954 A955 M956Q948-Q952 WeakPolarHBondContact O-CG 3.4Å; Q948-Q952 PolarHBondContact O-N 2.95Å; L949-Q952 PolarHBondContact O-N 3.39Å; Q952-S954 VanDerWaalsContact C-N 3.31Å; Q952-S954 PolarHBondContact O-N 3.21Å; Q952-A955 PolarHBondContact O-N 3.18Å; Q952-M956 WeakPolarHBondContact O-CB 3.49Å; Q952-M956 PolarHBondContact O-N 2.97Å
953H80.9Confident75.7Confident108 Ų108108.4 Ų108.450%0.555%0.548SS..Hα-helixtrans-63.2-38.9174.7-170.8-91.1000111.6L949 M956 L957L949-H953 WeakPolarHBondContact O-CB 3.43Å; L949-H953 PolarHBondContact O-N 2.94Å; H953-M956 PolarHBondContact O-N 3.04Å; H953-L957 WeakPolarHBondContact O-CG 3.45Å; H953-L957 PolarHBondContact O-N 3.04Å; H953-L957 VanDerWaalsContact O-N 3.08Å
954S84.1Confident73.5Confident63 Ų63107.9 Ų107.944%0.44156%0.558SS.*Hα-helixtrans-67.1-42.1176.9-54.60000112.1M950 Q951 Q952 L957 Q958M950-S954 WeakPolarHBondContact O-CB 3.39Å; M950-S954 PolarHBondContact O-N 3.04Å; M950-S954 PolarHBondContact O-OG 3.48Å; Q951-S954 WeakPolarHBondContact O-CB 3.32Å; Q951-S954 PolarHBondContact O-N 3.43Å; Q952-S954 VanDerWaalsContact C-N 3.31Å; Q952-S954 PolarHBondContact O-N 3.21Å; S954-L957 PolarHBondContact O-N 3.39Å; S954-Q958 WeakPolarHBondContact O-CG 3.3Å; S954-Q958 PolarHBondContact O-N 2.98Å; S954-Q958 VanDerWaalsContact O-N 3.13Å
955A80.8Confident71.1Confident41 Ų41108.4 Ų108.434%0.33957%0.571SS.*Hα-helixtrans-67.2-36.5174.900000112.5Q951 Q952 Q958 Q959Q951-A955 WeakPolarHBondContact O-CB 3.47Å; Q951-A955 PolarHBondContact O-N 3.07Å; Q952-A955 PolarHBondContact O-N 3.18Å; A955-Q958 PolarHBondContact O-N 3.21Å; A955-Q959 WeakPolarHBondContact O-CG 3.48Å; A955-Q959 PolarHBondContact O-N 3.44Å
956M75.2Confident68.9Low94 Ų94108.2 Ų108.246%0.46359%0.586SS.*Hα-helixtrans-62.8-42.8174.2-171-165.2-56.400111.4Q952 H953 Q958 Q959 Q960Q952-M956 WeakPolarHBondContact O-CB 3.49Å; Q952-M956 PolarHBondContact O-N 2.97Å; H953-M956 PolarHBondContact O-N 3.04Å; M956-Q958 VanDerWaalsContact C-N 3.33Å; M956-Q958 PolarHBondContact O-N 3.1Å; M956-Q959 PolarHBondContact O-N 3.22Å; M956-Q960 WeakPolarHBondContact O-CG 3.45Å; M956-Q960 PolarHBondContact O-N 3.19Å; M956-Q960 VanDerWaalsContact O-N 3.09Å
957L77.8Confident66.8Low92 Ų92110.4 Ų110.448%0.48260%0.596SS.*Hα-helixtrans-63.3-37.9175.2-70.6170.5000112H953 S954 Q960H953-L957 WeakPolarHBondContact O-CG 3.45Å; H953-L957 PolarHBondContact O-N 3.04Å; H953-L957 VanDerWaalsContact O-N 3.08Å; S954-L957 PolarHBondContact O-N 3.39Å; L957-Q960 PolarHBondContact O-N 3.35Å
958Q76.3Confident64.4Low145 Ų145111.3 Ų111.368%0.67861%0.612SS**Hα-helixtrans-64.8-38.4173.2-71.4172.6-12.600112.3S954 A955 M956 Q960S954-Q958 WeakPolarHBondContact O-CG 3.3Å; S954-Q958 PolarHBondContact O-N 2.98Å; S954-Q958 VanDerWaalsContact O-N 3.13Å; A955-Q958 PolarHBondContact O-N 3.21Å; M956-Q958 VanDerWaalsContact C-N 3.33Å; M956-Q958 PolarHBondContact O-N 3.1Å; Q958-Q960 VanDerWaalsContact C-N 3.3Å; Q958-Q960 PolarHBondContact O-N 3.32Å
959Q67.1Low62Low174 Ų174110.5 Ų110.581%0.81363%0.627SS**Hα-helixtrans-72.2-18.7176.3-72.5-177.3-0.400113.9A955 M956 G961A955-Q959 WeakPolarHBondContact O-CG 3.48Å; A955-Q959 PolarHBondContact O-N 3.44Å; M956-Q959 PolarHBondContact O-N 3.22Å; Q959-G961 PolarHBondContact O-N 2.96Å
960Q54.1Low59.7Low119 Ų119112.8 Ų112.856%0.55665%0.645SS**THydrogen-bonded Turntrans-81.712.5177.8-74.3177.410.700114.1M956 L957 Q958 L962M956-Q960 WeakPolarHBondContact O-CG 3.45Å; M956-Q960 PolarHBondContact O-N 3.19Å; M956-Q960 VanDerWaalsContact O-N 3.09Å; L957-Q960 PolarHBondContact O-N 3.35Å; Q958-Q960 VanDerWaalsContact C-N 3.3Å; Q958-Q960 PolarHBondContact O-N 3.32Å; Q960-L962 PolarHBondContact O-N 3.34Å; Q960-L962 VanDerWaalsContact O-N 3.08Å
961G44.7Very low57.4Low50 Ų50111.5 Ų111.552%0.51565%0.649SS.*THydrogen-bonded Turntrans73.7-2.1167.500000116Q959 I963Q959-G961 PolarHBondContact O-N 2.96Å; G961-I963 PolarHBondContact O-N 3.21Å; G961-I963 VanDerWaalsContact O-N 3.13Å
962L41.6Very low54.9Low153 Ų153112.4 Ų112.480%0.80166%0.662SS**SBendtrans-87.343.6179.2-67.1176.7000113.1Q960Q960-L962 PolarHBondContact O-N 3.34Å; Q960-L962 VanDerWaalsContact O-N 3.08Å
963I41.4Very low52.4Low142 Ų142111.2 Ų111.273%0.72867%0.673SS**  trans-170.8113.9155-90.1139.4000105.7G961G961-I963 PolarHBondContact O-N 3.21Å; G961-I963 VanDerWaalsContact O-N 3.13Å
964S39.9Very low50.2Low110 Ų110110.3 Ų110.377%0.76968%0.684SS**  trans-97.2124.1170.5-66.50000109.5
965P38.3Very low47.8Very low116 Ų116116.4 Ų116.475%0.75370%0.703SS**  trans-79.2140.8178.131.9-33.7000111.4
966A40.5Very low45.5Very low92 Ų92118.6 Ų118.676%0.7672%0.716SS**  trans-129.7117.917400000111.6
967H43Very low43.5Very low180 Ų180121 Ų12183%0.83373%0.73SS**  trans-5.7148.1147.5-53.7-81.9000118.3
968S39.7Very low41.5Very low110 Ų110125.3 Ų125.377%0.76975%0.745SS**  cis-176.7145.7-4.344.90000111.4
969G37.2Very low39.9Very low71 Ų71122.9 Ų122.973%0.73274%0.742SS**  trans77.1158.8173.200000114.4
970T37.4Very low38.1Very low138 Ų138123.4 Ų123.485%0.84774%0.744SS**  cis-158.1154.6-4.7-19.90000110
971S35Very low37.2Very low106 Ų106122.9 Ų122.974%0.74176%0.76SS**  trans58.3113.9157-110.10000121.4
972V33.9Very low36.7Very low137 Ų137125.3 Ų125.383%0.8378%0.775SS**  trans35124.9146.6-74.90000123.1
973A31.8Very low36.4Very low95 Ų95122.6 Ų122.679%0.78578%0.775SS**  74.8112.3128.700000122
974A33.6Very low36.1Very low88 Ų88123.8 Ų123.873%0.72778%0.778SS**  trans87.8157.313700000120.6
975F33.6Very low35.9Very low191 Ų191126.8 Ų126.884%0.83878%0.777SS**  trans61.189.8165.6-73.3-74.6000121.1
976S34.5Very low36.2Very low87 Ų87128.3 Ų128.361%0.60878%0.777SS**  74.8127.9110.269.50000122.9
977L32Very low36.1Very low146 Ų146130.4 Ų130.476%0.76478%0.783SS**  trans69.4118.3134.7-65.3167.6000120.7
978F36.6Very low36Very low181 Ų181124.7 Ų124.779%0.79477%0.773SS**  trans69.8159.8150.4-80.4-118.5000117.4
979P41.8Very low36.1Very low94 Ų94126.6 Ų126.661%0.6178%0.78SS**  cis-138.7-178.4-4038.7-22.5000114.3
980Q30.5Very low36.5Very low185 Ų185128.8 Ų128.886%0.86478%0.779SS**  trans14.7108.2146.7-64.6160.3-88.600119
981A34.6Very low37.2Very low108 Ų108126.2 Ų126.289%0.89376%0.764SS**  trans-137.3137.314200000108.5
982A34.3Very low37.9Very low101 Ų101125.1 Ų125.184%0.83576%0.762SS**  trans-133.7163.9-178.700000110.7
983A34Very low38.6Very low96 Ų96126.5 Ų126.579%0.79376%0.759SS**  trans6489.8171.900000117
984Q35.5Very low39.6Very low168 Ų168130 Ų13079%0.78575%0.753SS**  -134159.1127.5-68.3-162.4-600109.8
985F36.4Very low40.3Very low173 Ų173129.1 Ų129.176%0.75975%0.746SS**SBendtrans75.1102172.3-60.1-78.9000120.8
986I45.1Very low41.3Very low147 Ų147123.1 Ų123.175%0.75473%0.732SS**  trans59.999.8137.4-47.3171.8000118.4
987P37.5Very low42.2Very low136 Ų136121.7 Ų121.788%0.88373%0.725SS**  trans-90.4117.5169.233.6-30.2000112.9
988G39.9Very low43.3Very low61 Ų61117.7 Ų117.763%0.62971%0.713SS**  trans-118113.417300000113.2
989V41.9Very low44.6Very low149 Ų149112 Ų11290%0.90370%0.7SS**  trans46.475.9158.3-162.90000117.1
990V47.4Very low45.6Very low118 Ų118110.2 Ų110.272%0.71569%0.692SS**  trans-135.8128.9158.5-173.30000110.2
991P51.6Low47.3Very low83 Ų83104.3 Ų104.354%0.53968%0.675SS.*  trans-66.7134.4178.8-22.334.1000113.5Q993 Y994P991-Q993 PolarHBondContact O-N 3.42Å; P991-Y994 PolarHBondContact O-N 3.09Å; P991-Y994 VanDerWaalsContact O-N 3.15Å
992A48.8Very low48.9Very low83 Ų83101.8 Ų101.869%0.68666%0.655SS**Hα-helixtrans-56.8-16.2-176.200000115.7Y994 A995 A996A992-Y994 VanDerWaalsContact C-N 3.26Å; A992-Y994 PolarHBondContact O-N 3.31Å; A992-A995 PolarHBondContact O-N 3.45Å; A992-A996 PolarHBondContact O-N 2.99Å
993Q49.5Very low50.5Low166 Ų16699.7 Ų99.778%0.77664%0.637SS**Hα-helixtrans-61.9-31.1176.7-63.4178.30.100112.7P991 A997P991-Q993 PolarHBondContact O-N 3.42Å; Q993-A997 PolarHBondContact O-N 3.37Å
994Y51.8Low52.3Low170 Ų170101.7 Ų101.767%0.66763%0.63SS**Hα-helixtrans-79.7-33.1177.8-78.4-89.5000113.2P991 A992 A997 A998P991-Y994 PolarHBondContact O-N 3.09Å; P991-Y994 VanDerWaalsContact O-N 3.15Å; A992-Y994 VanDerWaalsContact C-N 3.26Å; A992-Y994 PolarHBondContact O-N 3.31Å; Y994-A997 PolarHBondContact O-N 3Å; Y994-A998 PolarHBondContact O-N 3.1Å
995A49.8Very low54.3Low69 Ų6996.5 Ų96.557%0.5761%0.612SS**Hα-helixtrans-65-41.817700000111.8A992 A997 A998 A999A992-A995 PolarHBondContact O-N 3.45Å; A995-A997 VanDerWaalsContact C-N 3.34Å; A995-A997 PolarHBondContact O-N 3.23Å; A995-A998 PolarHBondContact O-N 3.36Å; A995-A999 PolarHBondContact O-N 3.1Å
996A53.5Low56.2Low65 Ų6592.5 Ų92.554%0.53760%0.602SS.*Hα-helixtrans-62.7-39.417400000112.3A992 A999 A1000A992-A996 PolarHBondContact O-N 2.99Å; A996-A999 PolarHBondContact O-N 2.92Å; A996-A1000 WeakPolarHBondContact O-CB 3.45Å; A996-A1000 PolarHBondContact O-N 3.26Å
997A52.8Low57.9Low56 Ų5690.4 Ų90.446%0.46359%0.589SS.*Hα-helixtrans-66-39.9175.800000112.5Q993 Y994 A995 A1000 A1001Q993-A997 PolarHBondContact O-N 3.37Å; Y994-A997 PolarHBondContact O-N 3Å; A995-A997 VanDerWaalsContact C-N 3.34Å; A995-A997 PolarHBondContact O-N 3.23Å; A997-A1000 PolarHBondContact O-N 3.21Å; A997-A1001 WeakPolarHBondContact O-CB 3.39Å; A997-A1001 PolarHBondContact O-N 3.18Å
998A56.8Low59.9Low63 Ų6390.3 Ų90.352%0.52158%0.577SS.*Hα-helixtrans-65.3-43.2175.500000112.2Y994 A995 A1001 A1002Y994-A998 PolarHBondContact O-N 3.1Å; A995-A998 PolarHBondContact O-N 3.36Å; A998-A1001 PolarHBondContact O-N 3.4Å; A998-A1002 PolarHBondContact O-N 3.38Å
999A62.9Low61.9Low62 Ų6292.8 Ų92.851%0.51257%0.572SS.*Hα-helixtrans-62.9-42.6175.100000112.2A995 A996 A1002 A1003A995-A999 PolarHBondContact O-N 3.1Å; A996-A999 PolarHBondContact O-N 2.92Å; A999-A1002 PolarHBondContact O-N 3.04Å; A999-A1003 PolarHBondContact O-N 2.97Å
1000A63.5Low63.9Low55 Ų5592.5 Ų92.546%0.45556%0.556SS.*Hα-helixtrans-64.3-38.817500000112.5A996 A997 A1003 H1004A996-A1000 WeakPolarHBondContact O-CB 3.45Å; A996-A1000 PolarHBondContact O-N 3.26Å; A997-A1000 PolarHBondContact O-N 3.21Å; A1000-A1003 PolarHBondContact O-N 2.72Å; A1000-H1004 WeakPolarHBondContact O-CB 3.45Å; A1000-H1004 PolarHBondContact O-N 3.25Å
1001A65.4Low65.7Low61 Ų6191.9 Ų91.950%0.50455%0.546SS..Hα-helixtrans-66-40.8175.100000112.3A997 A998 H1004 S1005A997-A1001 WeakPolarHBondContact O-CB 3.39Å; A997-A1001 PolarHBondContact O-N 3.18Å; A998-A1001 PolarHBondContact O-N 3.4Å; A1001-H1004 PolarHBondContact O-N 3.35Å; A1001-S1005 WeakPolarHBondContact O-CB 3.35Å; A1001-S1005 PolarHBondContact O-N 3.14Å
1002A68.6Low67.2Low56 Ų5693.7 Ų93.746%0.46355%0.547SS..Hα-helixtrans-62-46.1174.300000111.7A998 A999 H1004 S1005 T1006A998-A1002 PolarHBondContact O-N 3.38Å; A999-A1002 PolarHBondContact O-N 3.04Å; A1002-H1004 VanDerWaalsContact C-N 3.35Å; A1002-H1004 PolarHBondContact O-N 2.95Å; A1002-S1005 WeakPolarHBondContact O-CB 3.41Å; A1002-S1005 PolarHBondContact O-N 3.45Å; A1002-S1005 VanDerWaalsContact O-N 3.16Å; A1002-T1006 PolarHBondContact O-N 2.97Å; A1002-T1006 PolarHBondContact O-OG1 3.38Å
1003A67.4Low69Low57 Ų5793.2 Ų93.247%0.47154%0.536SS..Hα-helixtrans-63.1-37.5176.100000112.9A999 A1000 T1006 H1007A999-A1003 PolarHBondContact O-N 2.97Å; A1000-A1003 PolarHBondContact O-N 2.72Å; A1003-T1006 PolarHBondContact O-OG1 3.32Å; A1003-T1006 VanDerWaalsContact O-OG1 3.11Å; A1003-H1007 WeakPolarHBondContact O-CB 3.47Å; A1003-H1007 PolarHBondContact O-N 3.36Å
1004H71.5Confident70.6Confident137 Ų13789.4 Ų89.463%0.63452%0.518SS*.Hα-helixtrans-64.7-40.4172.4-113.2-78.4000112.1A1000 A1001 A1002 Q1008A1000-H1004 WeakPolarHBondContact O-CB 3.45Å; A1000-H1004 PolarHBondContact O-N 3.25Å; A1001-H1004 PolarHBondContact O-N 3.35Å; A1002-H1004 VanDerWaalsContact C-N 3.35Å; A1002-H1004 PolarHBondContact O-N 2.95Å; H1004-Q1008 VanDerWaalsContact O-CB 3.29Å; H1004-Q1008 WeakPolarHBondContact O-CB 3.35Å; H1004-Q1008 PolarHBondContact O-N 3.48Å
1005S77.2Confident72.2Confident60 Ų6086.8 Ų86.842%0.4251%0.512SS..Hα-helixtrans-65.1-45.9178.2-1700000112.1A1001 A1002 Q1008 Q1009A1001-S1005 WeakPolarHBondContact O-CB 3.35Å; A1001-S1005 PolarHBondContact O-N 3.14Å; A1002-S1005 WeakPolarHBondContact O-CB 3.41Å; A1002-S1005 PolarHBondContact O-N 3.45Å; A1002-S1005 VanDerWaalsContact O-N 3.16Å; S1005-Q1008 PolarHBondContact O-N 3.39Å; S1005-Q1009 WeakPolarHBondContact O-CG 3.4Å; S1005-Q1009 PolarHBondContact O-N 3.29Å
1006T77Confident73.9Confident89 Ų8989.5 Ų89.555%0.54651%0.512SS..Hα-helixtrans-66.4-38.3177.354.40000112.2A1002 A1003 Q1009 Y1010A1002-T1006 PolarHBondContact O-N 2.97Å; A1002-T1006 PolarHBondContact O-OG1 3.38Å; A1003-T1006 PolarHBondContact O-OG1 3.32Å; A1003-T1006 VanDerWaalsContact O-OG1 3.11Å; T1006-Q1009 PolarHBondContact O-N 3.3Å; T1006-Y1010 WeakPolarHBondContact O-CB 3.4Å; T1006-Y1010 PolarHBondContact O-N 3.11Å
1007H81Confident75.3Confident103 Ų10391.8 Ų91.848%0.47751%0.512SS..Hα-helixtrans-64.8-39.5173.1-173.173.1000112.3A1003 Y1010 M1011A1003-H1007 WeakPolarHBondContact O-CB 3.47Å; A1003-H1007 PolarHBondContact O-N 3.36Å; H1007-Y1010 PolarHBondContact O-N 2.93Å; H1007-M1011 WeakPolarHBondContact NE2-CE 3.35Å; H1007-M1011 WeakPolarHBondContact O-CG 3.49Å; H1007-M1011 PolarHBondContact O-N 3.48Å
1008Q80.5Confident76.8Confident133 Ų13397.1 Ų97.162%0.62152%0.522SS*.Hα-helixtrans-67.1-40.6176.7-173170.4-10.700111.9H1004 S1005 M1011 Q1012H1004-Q1008 VanDerWaalsContact O-CB 3.29Å; H1004-Q1008 WeakPolarHBondContact O-CB 3.35Å; H1004-Q1008 PolarHBondContact O-N 3.48Å; S1005-Q1008 PolarHBondContact O-N 3.39Å; Q1008-M1011 PolarHBondContact O-N 3.21Å; Q1008-Q1012 WeakPolarHBondContact O-CB 3.45Å; Q1008-Q1012 PolarHBondContact O-N 3.15Å
1009Q82.1Confident78Confident114 Ų11498.6 Ų98.653%0.53352%0.52SS..Hα-helixtrans-62.7-44.5172.4-74.9179.6-1900111.9S1005 T1006 M1011 Q1012 V1013S1005-Q1009 WeakPolarHBondContact O-CG 3.4Å; S1005-Q1009 PolarHBondContact O-N 3.29Å; T1006-Q1009 PolarHBondContact O-N 3.3Å; Q1009-M1011 PolarHBondContact O-N 3.28Å; Q1009-Q1012 PolarHBondContact O-N 3.39Å; Q1009-Q1012 VanDerWaalsContact O-N 3.12Å; Q1009-V1013 WeakPolarHBondContact O-CG2 3.39Å; Q1009-V1013 PolarHBondContact O-N 3.49Å
1010Y83.4Confident78.7Confident142 Ų14298.5 Ų98.556%0.55752%0.52SS*.Hα-helixtrans-58.4-46.6176.3178.2-95.1000112.1T1006 H1007 Q1012 V1013 Q1014T1006-Y1010 WeakPolarHBondContact O-CB 3.4Å; T1006-Y1010 PolarHBondContact O-N 3.11Å; H1007-Y1010 PolarHBondContact O-N 2.93Å; Y1010-Q1012 VanDerWaalsContact C-N 3.3Å; Y1010-Q1012 PolarHBondContact O-N 3.42Å; Y1010-V1013 PolarHBondContact O-N 3.16Å; Y1010-Q1014 HydrophobicContact CD1-CG 4.37Å; Y1010-Q1014 HydrophobicContact CE1-CG 3.96Å; Y1010-Q1014 WeakPolarHBondContact O-CG 3.42Å; Y1010-Q1014 PolarHBondContact O-N 2.93Å
1011M84Confident79.3Confident106 Ų10698.8 Ų98.852%0.52252%0.522SS..Hα-helixtrans-60.7-37.5174.1-75.5-71.3-168.800112.6H1007 Q1008 Q1009 H1015H1007-M1011 WeakPolarHBondContact NE2-CE 3.35Å; H1007-M1011 WeakPolarHBondContact O-CG 3.49Å; H1007-M1011 PolarHBondContact O-N 3.48Å; Q1008-M1011 PolarHBondContact O-N 3.21Å; Q1009-M1011 PolarHBondContact O-N 3.28Å; M1011-H1015 WeakPolarHBondContact O-CB 3.4Å; M1011-H1015 PolarHBondContact O-N 2.98Å
1012Q84.3Confident79.7Confident120 Ų12098.2 Ų98.256%0.56152%0.517SS*.Hα-helixtrans-70.4-38.6179.5-165.3168.96.700112.3Q1008 Q1009 Y1010 H1015 Q1016Q1008-Q1012 WeakPolarHBondContact O-CB 3.45Å; Q1008-Q1012 PolarHBondContact O-N 3.15Å; Q1009-Q1012 PolarHBondContact O-N 3.39Å; Q1009-Q1012 VanDerWaalsContact O-N 3.12Å; Y1010-Q1012 VanDerWaalsContact C-N 3.3Å; Y1010-Q1012 PolarHBondContact O-N 3.42Å; Q1012-H1015 PolarHBondContact O-N 3.49Å; Q1012-Q1016 PolarHBondContact O-N 3.36Å
1013V86Confident79.9Confident73 Ų7398.4 Ų98.444%0.44252%0.518SS..Hα-helixtrans-66.3-44.8172.8172.50000111.2Q1009 Y1010 H1015 Q1016 Q1017Q1009-V1013 WeakPolarHBondContact O-CG2 3.39Å; Q1009-V1013 PolarHBondContact O-N 3.49Å; Y1010-V1013 PolarHBondContact O-N 3.16Å; V1013-H1015 VanDerWaalsContact C-N 3.29Å; V1013-H1015 PolarHBondContact O-N 3.36Å; V1013-Q1016 PolarHBondContact O-N 3.49Å; V1013-Q1017 WeakPolarHBondContact O-CG 3.41Å; V1013-Q1017 PolarHBondContact O-N 3.35Å
1014Q83Confident80Confident87 Ų8798.3 Ų98.341%0.40752%0.518SS..Hα-helixtrans-58.4-41173.9-77.1-67.3-6000111.9Y1010 Q1017 Y1018Y1010-Q1014 HydrophobicContact CD1-CG 4.37Å; Y1010-Q1014 HydrophobicContact CE1-CG 3.96Å; Y1010-Q1014 WeakPolarHBondContact O-CG 3.42Å; Y1010-Q1014 PolarHBondContact O-N 2.93Å; Q1014-Q1017 VanDerWaalsContact NE2-OE1 3.12Å; Q1014-Q1017 PolarHBondContact O-N 3Å; Q1014-Y1018 PolarHBondContact O-N 3.01Å
1015H85.8Confident79.8Confident114 Ų11494.4 Ų94.453%0.52851%0.509SS..Hα-helixtrans-66.7-40.4176.3-169.351.2000112.6M1011 Q1012 V1013 Y1018 L1019M1011-H1015 WeakPolarHBondContact O-CB 3.4Å; M1011-H1015 PolarHBondContact O-N 2.98Å; Q1012-H1015 PolarHBondContact O-N 3.49Å; V1013-H1015 VanDerWaalsContact C-N 3.29Å; V1013-H1015 PolarHBondContact O-N 3.36Å; H1015-Y1018 PolarHBondContact O-N 2.97Å; H1015-L1019 WeakPolarHBondContact O-CG 3.44Å; H1015-L1019 PolarHBondContact O-N 3.33Å
1016Q84.4Confident79Confident126 Ų12694.1 Ų94.159%0.58951%0.51SS*.Hα-helixtrans-64.7-40.6173.5-80.5-175.2-29.800112.6Q1012 V1013 Y1018 L1019 A1020Q1012-Q1016 PolarHBondContact O-N 3.36Å; V1013-Q1016 PolarHBondContact O-N 3.49Å; Q1016-Y1018 PolarHBondContact O-N 3.35Å; Q1016-L1019 PolarHBondContact O-N 3.12Å; Q1016-A1020 WeakPolarHBondContact O-CB 3.35Å; Q1016-A1020 PolarHBondContact O-N 2.91Å
1017Q84.7Confident78Confident113 Ų11392.4 Ų92.453%0.52851%0.505SS..Hα-helixtrans-62.2-42.1174.9-75-178.4-19.800111.8V1013 Q1014 A1020 A1021V1013-Q1017 WeakPolarHBondContact O-CG 3.41Å; V1013-Q1017 PolarHBondContact O-N 3.35Å; Q1014-Q1017 VanDerWaalsContact NE2-OE1 3.12Å; Q1014-Q1017 PolarHBondContact O-N 3Å; Q1017-A1020 PolarHBondContact O-N 3.19Å; Q1017-A1021 WeakPolarHBondContact O-CB 3.44Å; Q1017-A1021 PolarHBondContact O-N 3.46Å
1018Y82.4Confident76.7Confident169 Ų16992.4 Ų92.466%0.66351%0.512SS*.Hα-helixtrans-64-43175.2-173.7-96.5000112.5Q1014 H1015 Q1016 A1021 A1022Q1014-Y1018 PolarHBondContact O-N 3.01Å; H1015-Y1018 PolarHBondContact O-N 2.97Å; Q1016-Y1018 PolarHBondContact O-N 3.35Å; Y1018-A1021 PolarHBondContact O-N 2.87Å; Y1018-A1022 WeakPolarHBondContact O-CB 3.43Å; Y1018-A1022 PolarHBondContact O-N 2.96Å
1019L83.1Confident75.4Confident93 Ų9391.1 Ų91.149%0.48751%0.513SS..Hα-helixtrans-65.3-40.2176-73.9171.2000112.3H1015 Q1016 A1022 A1023H1015-L1019 WeakPolarHBondContact O-CG 3.44Å; H1015-L1019 PolarHBondContact O-N 3.33Å; Q1016-L1019 PolarHBondContact O-N 3.12Å; L1019-A1022 PolarHBondContact O-N 3.45Å; L1019-A1023 WeakPolarHBondContact O-CB 3.45Å; L1019-A1023 PolarHBondContact O-N 3.22Å
1020A78.2Confident74Confident61 Ų6190.1 Ų90.150%0.50452%0.519SS..Hα-helixtrans-65.1-43175.800000111.9Q1016 Q1017 A1023 A1024Q1016-A1020 WeakPolarHBondContact O-CB 3.35Å; Q1016-A1020 PolarHBondContact O-N 2.91Å; Q1017-A1020 PolarHBondContact O-N 3.19Å; A1020-A1023 PolarHBondContact O-N 3.39Å; A1020-A1024 WeakPolarHBondContact O-CB 3.47Å; A1020-A1024 PolarHBondContact O-N 2.91Å
1021A75.6Confident72.5Confident61 Ų6188.2 Ų88.250%0.50453%0.527SS..Hα-helixtrans-63.7-41.2174.700000112.2Q1017 Y1018 A1024 A1025Q1017-A1021 WeakPolarHBondContact O-CB 3.44Å; Q1017-A1021 PolarHBondContact O-N 3.46Å; Y1018-A1021 PolarHBondContact O-N 2.87Å; A1021-A1024 PolarHBondContact O-N 3.06Å; A1021-A1025 WeakPolarHBondContact O-CB 3.41Å; A1021-A1025 PolarHBondContact O-N 3.22Å
1022A74Confident70.6Confident48 Ų4887.6 Ų87.640%0.39753%0.533SS..Hα-helixtrans-65.9-40175.500000112.4Y1018 L1019 A1025 A1026Y1018-A1022 WeakPolarHBondContact O-CB 3.43Å; Y1018-A1022 PolarHBondContact O-N 2.96Å; L1019-A1022 PolarHBondContact O-N 3.45Å; A1022-A1025 PolarHBondContact O-N 2.88Å; A1022-A1026 WeakPolarHBondContact O-CB 3.48Å; A1022-A1026 PolarHBondContact O-N 3.38Å
1023A72.2Confident68.3Low60 Ų6086.5 Ų86.550%0.49654%0.538SS..Hα-helixtrans-66.4-41.5175.200000112.1L1019 A1020 A1026 A1027L1019-A1023 WeakPolarHBondContact O-CB 3.45Å; L1019-A1023 PolarHBondContact O-N 3.22Å; A1020-A1023 PolarHBondContact O-N 3.39Å; A1023-A1026 PolarHBondContact O-N 3.1Å; A1023-A1027 WeakPolarHBondContact O-CB 3.45Å; A1023-A1027 PolarHBondContact O-N 3.13Å
1024A70.3Confident66.2Low55 Ų5588.5 Ų88.546%0.45556%0.555SS.*Hα-helixtrans-62.9-45.3174.500000111.7A1020 A1021 A1026 A1027 V1028A1020-A1024 WeakPolarHBondContact O-CB 3.47Å; A1020-A1024 PolarHBondContact O-N 2.91Å; A1021-A1024 PolarHBondContact O-N 3.06Å; A1024-A1026 VanDerWaalsContact C-N 3.35Å; A1024-A1026 PolarHBondContact O-N 3.14Å; A1024-A1027 PolarHBondContact O-N 3.16Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.38Å; A1024-V1028 PolarHBondContact O-N 3.2Å
1025A66.5Low64.2Low56 Ų5690.4 Ų90.446%0.46358%0.578SS.*Hα-helixtrans-60.8-42.8174.900000112A1021 A1022 V1028 V1029A1021-A1025 WeakPolarHBondContact O-CB 3.41Å; A1021-A1025 PolarHBondContact O-N 3.22Å; A1022-A1025 PolarHBondContact O-N 2.88Å; A1025-V1028 PolarHBondContact O-N 3.49Å; A1025-V1029 WeakPolarHBondContact O-CB 3.42Å; A1025-V1029 VanDerWaalsContact O-CG2 3.31Å; A1025-V1029 WeakPolarHBondContact O-CG2 3.45Å; A1025-V1029 PolarHBondContact O-N 3.07Å
1026A59.8Low61.8Low53 Ų5390.7 Ų90.744%0.43859%0.593SS.*Hα-helixtrans-64.7-39.3176.100000112.8A1022 A1023 A1024 V1029 S1030A1022-A1026 WeakPolarHBondContact O-CB 3.48Å; A1022-A1026 PolarHBondContact O-N 3.38Å; A1023-A1026 PolarHBondContact O-N 3.1Å; A1024-A1026 VanDerWaalsContact C-N 3.35Å; A1024-A1026 PolarHBondContact O-N 3.14Å; A1026-V1029 PolarHBondContact O-N 3.18Å; A1026-S1030 VanDerWaalsContact O-CB 3.3Å; A1026-S1030 WeakPolarHBondContact O-CB 3.36Å; A1026-S1030 PolarHBondContact O-N 3.48Å; A1026-S1030 PolarHBondContact O-OG 3.37Å
1027A55.8Low59.7Low53 Ų5389.8 Ų89.844%0.43860%0.6SS.*Hα-helixtrans-66.3-42.9176.700000112.2A1023 A1024 S1030 S1031A1023-A1027 WeakPolarHBondContact O-CB 3.45Å; A1023-A1027 PolarHBondContact O-N 3.13Å; A1024-A1027 PolarHBondContact O-N 3.16Å; A1027-S1030 PolarHBondContact O-N 3.38Å; A1027-S1031 WeakPolarHBondContact O-CB 3.47Å; A1027-S1031 PolarHBondContact O-N 3.25Å; A1027-S1031 VanDerWaalsContact O-N 3.14Å; A1027-S1031 PolarHBondContact O-OG 3.49Å
1028V55.1Low57.4Low103 Ų10389.5 Ų89.562%0.62461%0.611SS**Hα-helixtrans-62.4-44.4175.1171.30000111A1024 A1025 S1030 S1031 S1032A1024-V1028 WeakPolarHBondContact O-CG2 3.38Å; A1024-V1028 PolarHBondContact O-N 3.2Å; A1025-V1028 PolarHBondContact O-N 3.49Å; V1028-S1030 VanDerWaalsContact C-N 3.31Å; V1028-S1030 PolarHBondContact O-N 3.15Å; V1028-S1031 PolarHBondContact O-N 3.3Å; V1028-S1032 PolarHBondContact O-OG 3.18Å
1029V53.5Low55.3Low107 Ų10787.8 Ų87.865%0.64862%0.618SS**Hα-helixtrans-68.1-28.8176.6171.30000112.5A1025 A1026 S1031 S1032A1025-V1029 WeakPolarHBondContact O-CB 3.42Å; A1025-V1029 VanDerWaalsContact O-CG2 3.31Å; A1025-V1029 WeakPolarHBondContact O-CG2 3.45Å; A1025-V1029 PolarHBondContact O-N 3.07Å; A1026-V1029 PolarHBondContact O-N 3.18Å; V1029-S1031 VanDerWaalsContact C-N 3.29Å; V1029-S1032 PolarHBondContact O-OG 3.21Å
1030S51.9Low53.2Low92 Ų9288.5 Ų88.564%0.64363%0.628SS**Hα-helixtrans-79.2-10.7176.1-56.60000113.5A1026 A1027 V1028A1026-S1030 VanDerWaalsContact O-CB 3.3Å; A1026-S1030 WeakPolarHBondContact O-CB 3.36Å; A1026-S1030 PolarHBondContact O-N 3.48Å; A1026-S1030 PolarHBondContact O-OG 3.37Å; A1027-S1030 PolarHBondContact O-N 3.38Å; V1028-S1030 VanDerWaalsContact C-N 3.31Å; V1028-S1030 PolarHBondContact O-N 3.15Å
1031S51.9Low51.2Low103 Ų10393 Ų9372%0.7264%0.642SS**THydrogen-bonded Turntrans-96.9-7.8-177.6-58.60000113.2A1027 V1028 V1029A1027-S1031 WeakPolarHBondContact O-CB 3.47Å; A1027-S1031 PolarHBondContact O-N 3.25Å; A1027-S1031 VanDerWaalsContact O-N 3.14Å; A1027-S1031 PolarHBondContact O-OG 3.49Å; V1028-S1031 PolarHBondContact O-N 3.3Å; V1029-S1031 VanDerWaalsContact C-N 3.29Å
1032S43.9Very low49.2Very low93 Ų9398 Ų9865%0.6565%0.654SS**SBendtrans-109.627.7-166.855.40000114.8V1028 V1029V1028-S1032 PolarHBondContact O-OG 3.18Å; V1029-S1032 PolarHBondContact O-OG 3.21Å
1033S36.4Very low47.1Very low97 Ų97101 Ų10168%0.67867%0.673SS**  trans-133.137.2-168.569.10000116.7
1034S42.6Very low45.3Very low115 Ų115106.3 Ų106.380%0.80469%0.692SS**  trans-163.885.2170.859.50000116.3
1035S40.7Very low43.5Very low127 Ų127109.4 Ų109.489%0.88871%0.705SS**  trans-171.6143.814955.50000111.6
1036S35.6Very low41.9Very low119 Ų119113.9 Ų113.983%0.83272%0.721SS**  trans-148.7105.3-175.658.50000113.2
1037S39.3Very low40.7Very low107 Ų107115.4 Ų115.475%0.74873%0.725SS**  trans-173.4106.8158.753.90000113.6
1038S36.6Very low39.8Very low107 Ų107119 Ų11975%0.74874%0.741SS**  trans40.6143.6133.762.50000124.2
1039V38.9Very low38.8Very low134 Ų134118.2 Ų118.281%0.81274%0.741SS**  trans94.6128.7159.3-166.70000116.4
1040P39.4Very low38.1Very low107 Ų107121.7 Ų121.770%0.69575%0.749SS**  trans-111.9175-173.842.8-35.6000114.6
1041I34.6Very low37.2Very low156 Ų156124.9 Ų124.980%0.875%0.754SS**  trans-178135.6132-95154.5000111.9
1042H33.8Very low36.5Very low165 Ų165128 Ų12876%0.76476%0.762SS**  trans20.3121.6158.1-65.4-112.2000122.9
1043S30.5Very low35.9Very low112 Ų112128.7 Ų128.778%0.78376%0.758SS**  43119.5128.2-51.80000122.5
1044L34.7Very low36Very low171 Ų171130 Ų13090%0.89577%0.767SS**  trans-157154.4133.1-109.6171.1000111.2
1045T32.1Very low35.4Very low120 Ų120130.2 Ų130.274%0.73676%0.764SS**  trans-137.3173.7-174.641.80000111.7
1046L32Very low35Very low151 Ų151130.7 Ų130.779%0.79176%0.762SS**  trans119.8105.4169.9-64.9159.9000111.4
1047T35Very low34.6Very low85 Ų85130.8 Ų130.852%0.52176%0.757SS.*  70.2129.571.464.60000115.1
1048T36.6Very low34.4Very low127 Ų127133.3 Ų133.378%0.77976%0.761SS**  171.3171.995.838.80000109.1
1049S34.1Very low34.1Very low88 Ų88133.1 Ų133.162%0.61576%0.755SS**  cis-170.2174.9-30.4-850000109.9
1050H39.5Very low33.9Very low179 Ų179133 Ų13383%0.82976%0.758SS**  trans70.8120170.7-56.6-82.6000117.7
1051Q33.5Very low33.7Very low159 Ų159133.9 Ų133.974%0.74376%0.761SS**  cis79.4123.930.7-68.3-13536.300117.7
1052L36.8Very low33.6Very low170 Ų170132.9 Ų132.989%0.8976%0.762SS**  -154.684.4120.5-104.5178.3000112.6
1053N31.8Very low33.6Very low107 Ų107131 Ų13157%0.57277%0.768SS**  32.4120.7126.4-167.327000121.9
1054S37.3Very low33.7Very low123 Ų123130.8 Ų130.886%0.8677%0.766SS**  trans-169.2140.3131.7-81.60000111.5
1055T30Very low33.7Very low120 Ų120130.1 Ų130.174%0.73676%0.762SS**  trans-119.5137.1-167.720000113.4
1056T33.9Very low33.7Very low138 Ų138130.9 Ų130.985%0.84777%0.766SS**  trans-143.4121.1156.2-45.10000111.2
1057T27.3Very low33.9Very low120 Ų120132.1 Ų132.174%0.73680%0.798SS**  trans-93.3138.4177.8-450000110.5
1058I34.3Very low33.9Very low160 Ų160134.5 Ų134.582%0.82181%0.812SS**  trans-155.8147154.9-98.2136.5000109.6
1059T31Very low33.7Very low103 Ų103134.8 Ų134.863%0.63281%0.813SS**  trans-88148.6-174.248.40000113.2T1061T1059-T1061 PolarHBondContact O-N 3.12Å; T1059-T1061 VanDerWaalsContact O-N 3.16Å
1060P33.8Very low33.7Very low133 Ų133137.4 Ų137.486%0.86482%0.824SS**  trans-79.993.4170.932.2-32.9000110.8
1061T34.9Very low33.4Very low125 Ų125135 Ų13577%0.76782%0.824SS**  trans-87.2148.6165.946.60000111.4T1059T1059-T1061 PolarHBondContact O-N 3.12Å; T1059-T1061 VanDerWaalsContact O-N 3.16Å
1062T33Very low33.4Very low134 Ų134133.5 Ų133.582%0.82283%0.829SS**  trans-78.7133.3-17449.60000113.2
1063S34.5Very low33.1Very low126 Ų126131.1 Ų131.188%0.88183%0.825SS**  trans-167.3162.5141.8-890000114
1064S31.4Very low33.2Very low107 Ų107132.8 Ų132.875%0.74884%0.843SS**  trans-76.6173.8-170.9-50.60000115.8
1065I35.1Very low32.9Very low157 Ų157133.5 Ų133.581%0.80584%0.842SS**  trans128.7100.4158.7-69.4157.5000107.9
1066V32.1Very low33.2Very low137 Ų137134.7 Ų134.783%0.8385%0.851SS**  67.690.262-174.20000112.5
1067A36.7Very low33.1Very low176 Ų176134.4 Ų134.4100%1.45585%0.851SS**  trans-142.90157.100000107.4

Retrieved 1,067 of 1,067 residues in 218.3 ms (Link to these results)