A0A3B3VU70_9TELE Loading...

Transcription factor Sp7

Transcriptional activator essential for osteoblast differentiation. Binds to SP1 and EKLF consensus sequences and to other G/C-rich sequences.

AlphaFold DB , UniProt , Accession A0A3B3VU70, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 459 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low34.6Very low248 Ų248134.9 Ų134.9100%1.22282%0.822SS**  0142.80-53.9175.4-167.400107.2
2A30.8Very low34.6Very low93 Ų93136.1 Ų136.177%0.76982%0.817SS**  cis-166.6154.9-21.500000108
3A33.1Very low34.5Very low95 Ų95140.5 Ų140.579%0.78582%0.824SS**  trans62.9167.316500000118
4S37.7Very low34.5Very low104 Ų104140.9 Ų140.973%0.72782%0.821SS**  cis-168.8149.2-44.8-94.50000110
5V36.6Very low34.4Very low123 Ų123138.2 Ų138.275%0.74582%0.822SS**  trans39.7122.2138.6-178.10000119.5
6L37Very low34.3Very low174 Ų174144.3 Ų144.391%0.91183%0.826SS**  -146.5156.2122.9-109.6177.2000112
7E38.5Very low34.1Very low160 Ų160149.9 Ų149.975%0.74883%0.833SS**  trans-131.5170.5-167.5-130.1-171.9103.700108.4
8V35.1Very low34Very low131 Ų131144.6 Ų144.679%0.79482%0.817SS**  cis-148.8154.722.4-171.70000109.1
9G30.9Very low34Very low70 Ų70143.9 Ų143.972%0.72282%0.823SS**  trans162.9111.1156.900000118.4
10N35.1Very low33.8Very low159 Ų159142.4 Ų142.485%0.8582%0.821SS**  trans-77.4162.5164.6-76-30.3000110.5
11V31.6Very low34.1Very low127 Ų127141.9 Ų141.977%0.7782%0.823SS**  -163.7130.361.7160.80000112.3
12I34.3Very low34Very low149 Ų149138.2 Ų138.276%0.76481%0.807SS**  trans3.8137.3141-9.8175000116.5
13E33.3Very low34.1Very low193 Ų193138 Ų13890%0.90281%0.806SS**  cis-146.4164.242.9-77.8-170.5121.100115.2
14D35.1Very low34.3Very low146 Ų146142.3 Ų142.378%0.78181%0.812SS**  trans-141.2143.2-178.9-165.9-8.6000110.8
15A32Very low34.1Very low101 Ų101145.6 Ų145.684%0.83582%0.82SS**  trans-156.274-176.100000113.2
16R34Very low33.9Very low235 Ų235146.6 Ų146.689%0.88783%0.827SS**  trans-95.5143.4162.2-63.6-170.6-176.6-154.62.3111
17Y30.8Very low33.7Very low241 Ų241142.2 Ų142.295%0.94582%0.816SS**  trans-137.4150.5168.6-138.6-88.8000111.3
18G31.6Very low33.5Very low54 Ų54141.6 Ų141.656%0.55782%0.823SS**  trans178.2-166.4178.900000112.9
19S33.4Very low33.2Very low131 Ų131140.2 Ų140.292%0.91682%0.818SS**  trans83146.5174.1-56.90000118.7
20S30.9Very low33.3Very low113 Ų113144.2 Ų144.279%0.7982%0.823SS**  trans-65.9151.5-168.9-45.10000116.4
21P40.6Very low33.3Very low133 Ų133145.3 Ų145.386%0.86482%0.82SS**  trans-9299171.734.4-30.9000112.5
22L31.6Very low33.2Very low170 Ų170148.2 Ų148.289%0.8982%0.823SS**  trans-153.153.5169.4-139.9171000113.9
23A32.4Very low33Very low89 Ų89144.4 Ų144.474%0.73682%0.82SS**  trans-156.6175.3169.100000111.5
24M37Very low33Very low186 Ų186140.7 Ų140.792%0.91682%0.816SS**  trans83.571.4174.7-60.5-66135.200117.7
25L35.3Very low32.8Very low173 Ų173140.7 Ų140.791%0.90682%0.821SS**  trans-116.7112.6150-107.1169.1000108
26T32.2Very low33Very low143 Ų143141.4 Ų141.488%0.87782%0.82SS**  trans172.2145.2146.2-76.20000111
27A31.4Very low33.7Very low83 Ų83135.8 Ų135.869%0.68681%0.814SS**  trans-60.4162.1-169.100000118.9
28T34.1Very low33.7Very low147 Ų147131.7 Ų131.790%0.90281%0.807SS**  trans-136.9143.2152.4-25.80000109.3
29C29.8Very low33.8Very low102 Ų102139.1 Ų139.169%0.68982%0.818SS**  trans-125.5144-172.5-66.10000114.1
30N33.5Very low33.5Very low153 Ų153138.2 Ų138.282%0.81880%0.803SS**  trans55.8112.5148.4-62.9-22.6000122.4
31K33.5Very low33.7Very low183 Ų183137.9 Ų137.980%0.79680%0.8SS**  168.4153.4121.5-102.3173.5173.1172.30109.6
32F30Very low33.1Very low188 Ų188136.1 Ų136.183%0.82580%0.797SS**  cis-115.4178.71.7-69.2-112.6000108.9
33G30.1Very low33.3Very low68 Ų68134.7 Ų134.770%0.70180%0.796SS**  cis95.3128.915.900000112.2
34S33.6Very low34Very low116 Ų116136.4 Ų136.481%0.81180%0.799SS**  cis-177136.9-647.70000111.6
35T32.1Very low33.7Very low145 Ų145130.6 Ų130.689%0.8979%0.787SS**  trans-158.9140.416132.30000112.8
36S35.5Very low33.6Very low117 Ų117132.2 Ų132.282%0.81879%0.787SS**  trans-150.2147.3169.1-59.40000110.1
37P49.3Very low33.6Very low117 Ų117132.1 Ų132.176%0.7679%0.786SS**  -133.4147.6117.110.412.3000111.7
38I30.8Very low33.6Very low155 Ų155131.2 Ų131.280%0.79579%0.785SS**  57.7119.471.5-57.3177.7000110.5
39R33.4Very low33.3Very low210 Ų210130.2 Ų130.279%0.79278%0.784SS**  cis-132.7-171.629.4-120.2159.678.2156.510.8110
40D27.1Very low33.3Very low112 Ų112130.8 Ų130.860%0.59979%0.789SS**  cis-149.7-167.411.1-144.3-28000114
41S34.2Very low34.1Very low105 Ų105129.3 Ų129.373%0.73479%0.788SS**  trans-83143.5-168.9-52.30000117.6
42A28.2Very low33.9Very low97 Ų97127 Ų12780%0.80279%0.789SS**  -167.2121.7121.900000112.4
43T35.8Very low34Very low140 Ų140127.3 Ų127.386%0.85979%0.79SS**  trans-137.6176.2168.751.90000107.3
44P48Very low34Very low125 Ų125134.1 Ų134.181%0.81280%0.8SS**  cis-133-175.313.942-23.2000114.9
45G29.2Very low33.6Very low64 Ų64136.9 Ų136.966%0.6680%0.8SS**  cis144.7169.7-8.900000113.6
46K34.6Very low33.6Very low207 Ų207141 Ų14190%0.980%0.801SS**  trans66.3148.8177.6-62177.8179.2177.60114.9
47T31.7Very low33.3Very low140 Ų140141.4 Ų141.486%0.85980%0.799SS**  cis-160.4160.6-7.8190000105.8
48G30.1Very low32.8Very low64 Ų64145 Ų14566%0.6681%0.808SS**  cis163.5167.23.300000109.7
49S29.3Very low32.8Very low127 Ų127144.4 Ų144.489%0.88881%0.811SS**  trans69.7159.1172.5-61.60000119.1
50S30.3Very low32.8Very low114 Ų114139 Ų13980%0.79781%0.806SS**  trans-134.1-152.4-170.3-55.60000111.8
51P49.1Very low33.1Very low122 Ų122140.1 Ų140.179%0.79281%0.812SS**  -120.4145.5-105.936.1-19.6000114.9
52V30.3Very low33.1Very low134 Ų134142.2 Ų142.281%0.81281%0.814SS**  trans-134133.9175-178.60000113.1
53K31.2Very low33.4Very low194 Ų194145.3 Ų145.384%0.84381%0.812SS**  trans-8.9134.7159.7-51.6167.9-174.7175.20116.5
54K29.5Very low33.2Very low212 Ų212145 Ų14592%0.92281%0.81SS**PPolyproline II helixtrans-99.7122.1152.3-76.8-166.3173.5-173.80110.3
55Q26.3Very low32.3Very low174 Ų174144 Ų14481%0.81381%0.812SS**PPolyproline II helixtrans-91.6157.2176.1-173.2171.3-60.100109.4
56Y32.2Very low32.6Very low232 Ų232150.1 Ų150.191%0.9182%0.821SS**PPolyproline II helixtrans-76.4137173.9-67.6-95.1000111
57T29Very low32.6Very low124 Ų124148.3 Ų148.376%0.76182%0.821SS**  trans-142.7126.3166.648.30000109
58M38.5Very low32.4Very low194 Ų194145 Ų14596%0.95682%0.815SS**  trans-93.8137.3167.3-66.7-125.3-162.300109.4
59T31.4Very low32.6Very low141 Ų141153.3 Ų153.387%0.86583%0.826SS**  trans-146.1149.3162.246.40000108.9
60S33.3Very low32.7Very low98 Ų98152.6 Ų152.669%0.68582%0.816SS**  trans-101.4-175.3-171.2470000113.4
61D31.9Very low33.1Very low134 Ų134151.7 Ų151.772%0.71781%0.81SS**  trans82.394.2153.8-55-54000121.1
62L34.4Very low32.1Very low150 Ų150153.2 Ų153.279%0.78581%0.811SS**  76.1155.1115.3-136.873.4000121.5
63Q34.6Very low32.4Very low162 Ų162152 Ų15276%0.75781%0.809SS**  trans78.2100.3162.3-68.3175.86.900120.4
64T31.6Very low32.6Very low132 Ų132148.6 Ų148.681%0.8181%0.809SS**  62.3110.6117.1-48.50000120.1
65A30.1Very low32.7Very low104 Ų104141.6 Ų141.686%0.8680%0.797SS**  trans-142127.2146.200000111.1
66K36.2Very low33.2Very low193 Ų193141.2 Ų141.284%0.83980%0.8SS**  trans-92.1139.4167.2-84.6177.7174.3174.40109.7
67N33.4Very low33.4Very low169 Ų169135.5 Ų135.590%0.90479%0.789SS**  trans-152.3136139.2-80.7-42.7000104.7
68G28.7Very low33.5Very low71 Ų71136.2 Ų136.273%0.73279%0.789SS**  cis105.5120.922.100000108.5
69R32.6Very low33.4Very low239 Ų239131.6 Ų131.690%0.90278%0.775SS**  cis-167.7167.88.1-164-170.7-173.6171.92.3110.3
70V33.1Very low33.3Very low112 Ų112135.6 Ų135.668%0.67978%0.776SS**  trans80.3102.2162.3-1630000117.9
71S37.6Very low33.5Very low95 Ų95136.9 Ų136.966%0.66478%0.78SS**  28.1170.4107.2-16.30000122.2
72D29Very low33.4Very low154 Ų154134.1 Ų134.182%0.82478%0.783SS**  cis-148.6178.710.1-119-42.2000112.8
73S36.8Very low33.6Very low108 Ų108132.3 Ų132.376%0.75578%0.783SS**  trans-125.3153.3-168.660.90000117.1
74S34.6Very low33.4Very low123 Ų123134 Ų13486%0.8679%0.788SS**  trans-150.4144.2161.9-59.60000107.1
75G31.5Very low33.4Very low65 Ų65133 Ų13367%0.6778%0.782SS**  cis93.4124.820.700000110
76L37.1Very low33.5Very low165 Ų165134.2 Ų134.286%0.86478%0.779SS**  cis-145.9176.70.2-71.3172.1000107.8
77T36.4Very low33.3Very low112 Ų112129.8 Ų129.869%0.68778%0.778SS**  cis-133.1-131.36.9-24.90000109.1
78D30.2Very low33.1Very low140 Ų140125.7 Ų125.775%0.74978%0.776SS**  cis-150.3177.4-4.8-137.5-53.3000111.7
79S36.4Very low33.3Very low96 Ų96126.3 Ų126.367%0.67178%0.782SS**  trans-140.5153.1-164.3-52.50000115.8
80Y29Very low33.1Very low226 Ų226119.1 Ų119.189%0.88678%0.782SS**  trans-158.7172130.4-131.7-96.1000112.9
81T38.3Very low33Very low124 Ų124117.5 Ų117.576%0.76179%0.789SS**  trans-132.7167.9-162.956.60000113.7
82G30.4Very low32.8Very low76 Ų76116.6 Ų116.678%0.78479%0.794SS**  trans118.7145.6152.500000117.5
83S37.8Very low32.9Very low112 Ų112117.1 Ų117.178%0.78380%0.796SS**  trans-122.3152.9163.4-60.80000108.3
84F29.7Very low32.7Very low199 Ų199119.4 Ų119.487%0.87380%0.799SS**  trans-178.5129.4143.7-104.4-66.6000113.8
85T32.7Very low32.9Very low111 Ų111118.7 Ų118.768%0.68179%0.794SS**  trans42.5122.8143.246.60000125.2
86T31.8Very low33.8Very low129 Ų129121.7 Ų121.779%0.79180%0.802SS**  92.3123.7114.6-60.80000123.7
87A32.8Very low33.7Very low99 Ų99120.7 Ų120.782%0.81880%0.803SS**  trans77.2144.8146.600000123.8
88G29.1Very low33.4Very low84 Ų84118.9 Ų118.987%0.86681%0.807SS**  trans99.1132.5165.500000115.3
89G32Very low33.5Very low83 Ų83118 Ų11886%0.85681%0.811SS**  cis164.7136.3-10.200000113.3
90G29.9Very low34.9Very low88 Ų88119 Ų11991%0.90782%0.815SS**  trans94.9142.8176.600000114.6
91G31Very low35.7Very low79 Ų79113.9 Ų113.981%0.81481%0.81SS**  cis-151.8179.2-100000112.4
92G32.2Very low36.1Very low76 Ų76113.9 Ų113.978%0.78481%0.812SS**  trans-78.2-163.1-175.400000115.3
93L32.2Very low36.6Very low164 Ų164116.3 Ų116.386%0.85982%0.817SS**  cis-162.3165.730.1-102.9175.5000113.7
94L31.9Very low36.5Very low156 Ų156116.1 Ų116.182%0.81782%0.823SS**  trans71.5111.5157.8-67160.7000120.7
95S38.7Very low36.4Very low109 Ų109110.3 Ų110.376%0.76282%0.819SS**  trans-85.3168.6137.7-50.20000109.7
96P49.5Very low36.1Very low127 Ų127108.6 Ų108.683%0.82582%0.823SS**  -146.2177108.638-22.6000116.3
97T35.3Very low36.1Very low144 Ų144113.4 Ų113.488%0.88383%0.828SS**  trans-71.9157.7-176.350.60000116.3
98G30Very low36Very low75 Ų75114.4 Ų114.477%0.77382%0.824SS**  trans-176.1128.6158.200000114.2
99S32.7Very low36.1Very low120 Ų120114.8 Ų114.884%0.83981%0.814SS**  trans-130.2-176.8174.9-51.80000110.8
100P65.5Low36Very low117 Ų117118.8 Ų118.876%0.7681%0.81SS**  -82.4175-114.543-33000114.7
101P45.9Very low35.9Very low120 Ų120124.8 Ų124.878%0.77981%0.807SS**  -149.4-155.1100.637.6-15.9000112.8
102P47.6Very low36.4Very low124 Ų124128.4 Ų128.481%0.80581%0.808SS**  -125.8179.5-82.741-25.6000114.4
103S41.2Very low36.5Very low126 Ų126128.8 Ų128.888%0.88180%0.797SS**  trans-84.1145.7-175.8-45.30000115.7
104A34.1Very low36.4Very low109 Ų109128.9 Ų128.990%0.90179%0.79SS**  trans-154.5152.3156.100000109.1
105G27.7Very low36.3Very low77 Ų77126.7 Ų126.779%0.79479%0.788SS**  cis158.8100.2-6.300000112.1
106G27.1Very low36Very low75 Ų75128.1 Ų128.177%0.77378%0.782SS**  trans84.9154.5-176.400000113.8
107Y31Very low34.9Very low229 Ų229127.3 Ų127.390%0.89878%0.78SS**  cis-142.8-172.73.852.4-91.6000111.6
108T30.7Very low34.6Very low120 Ų120129 Ų12974%0.73678%0.775SS**  trans-113.9169.3-153.153.60000115.9
109S31.2Very low34.7Very low92 Ų92134.5 Ų134.564%0.64378%0.781SS**  trans71.3151.8159.3-66.80000118
110E29.9Very low34.5Very low167 Ų167135.7 Ų135.778%0.7878%0.783SS**  cis-170.4131.7-25-116.8165.5116.600107.9
111Y28.8Very low32.8Very low214 Ų214135.2 Ų135.284%0.83978%0.782SS**  trans-171.4139.8138.7-135.8-114000112.4P113Y111-P113 HydrophobicContact CD1-CG 4.13Å; Y111-P113 HydrophobicContact CE1-CB 4.25Å; Y111-P113 HydrophobicContact CE1-CG 4.22Å
112N40.6Very low32Very low155 Ų155135.8 Ų135.883%0.82978%0.783SS**  trans-154.3108.2168.8-17718.3000110.5
113P35.9Very low31.1Very low85 Ų85134.1 Ų134.155%0.55278%0.775SS**  trans-106.9115.9179.534-24.7000113.9Y111Y111-P113 HydrophobicContact CD1-CG 4.13Å; Y111-P113 HydrophobicContact CE1-CB 4.25Å; Y111-P113 HydrophobicContact CE1-CG 4.22Å
114F29.1Very low30.7Very low166 Ų166136.5 Ų136.573%0.72877%0.772SS**  trans61.795.7149.1-67.6-74.2000120.8H116F114-H116 AromaticContact CD1-CD2 3.39Å; F114-H116 WeakPolarHBondContact CD1-CD2 3.49Å; F114-H116 AromaticContact CD1-NE2 3.49Å; F114-H116 WeakPolarHBondContact CD1-NE2 3.39Å; F114-H116 AromaticContact CE1-CD2 3.98Å; F114-H116 AromaticContact CE1-NE2 3.58Å
115S29.1Very low30.6Very low109 Ų109138.8 Ų138.876%0.76277%0.769SS**  -63.9141.8128.550.30000111.1
116H32.6Very low31.6Very low139 Ų139140.1 Ų140.164%0.64476%0.763SS**  trans-145.7107.7156.1-103-62.7000110.5F114 F118F114-H116 AromaticContact CD1-CD2 3.39Å; F114-H116 WeakPolarHBondContact CD1-CD2 3.49Å; F114-H116 AromaticContact CD1-NE2 3.49Å; F114-H116 WeakPolarHBondContact CD1-NE2 3.39Å; F114-H116 AromaticContact CE1-CD2 3.98Å; F114-H116 AromaticContact CE1-NE2 3.58Å; H116-F118 AromaticContact ND1-CE2 3.78Å
117S27.8Very low31.7Very low110 Ų110141.8 Ų141.877%0.76976%0.763SS**  trans-87.1138164.1-57.30000108.9
118F27.6Very low31.8Very low180 Ų180139 Ų13979%0.78976%0.763SS**  trans-131.1121.2161.9-90.7-80.9000110H116H116-F118 AromaticContact ND1-CE2 3.78Å
119Q33.3Very low32Very low191 Ų191140.5 Ų140.589%0.89377%0.766SS**  trans-91.8138.5164.1-65.7169.7-57.500108.2
120T28.4Very low31.8Very low144 Ų144143.3 Ų143.388%0.88378%0.779SS**  trans-139140.6160.549.60000109.2
121S30.3Very low31.9Very low107 Ų107139.7 Ų139.775%0.74877%0.772SS**  trans-118.2141.9-165.153.90000113.2
122V28.9Very low32Very low132 Ų132139.7 Ų139.780%0.878%0.776SS**  trans76.7140.2141.7169.10000119.5
123S28.7Very low31.6Very low89 Ų89137.2 Ų137.262%0.62277%0.767SS**  trans72.5102.8158.5-720000123.3
124Q31.3Very low31.3Very low176 Ų176141.5 Ų141.582%0.82278%0.779SS**  61.7126.1107.3-73.4177.7-38.800123.4
125D32.3Very low31.3Very low158 Ų158138.6 Ų138.685%0.84579%0.786SS**  trans79.4147.4143.7-98.334.1000123
126P49.7Very low31.5Very low104 Ų104139.7 Ų139.768%0.67579%0.788SS**  trans-116147.9-16440.2-27.9000114.7
127S29.4Very low31.8Very low110 Ų110139.2 Ų139.277%0.76980%0.797SS**  trans-169.5135.3146.6-86.60000110.8
128L32.7Very low32.1Very low172 Ų172138 Ų13890%0.90179%0.793SS**  179.2146.6105.4-93174.6000111.6
129L34Very low32.3Very low151 Ų151136.8 Ų136.879%0.79180%0.795SS**  trans-90145.3172.6-65.9156.3000109.9
130V28.5Very low32.2Very low150 Ų150134.1 Ų134.191%0.90980%0.796SS**  trans-135116.3146.4179.60000108.9
131S31.8Very low32.5Very low92 Ų92134.9 Ų134.964%0.64379%0.794SS**  trans-85.9159.3176.1-53.30000111.6
132K30.4Very low32.7Very low214 Ų214136.2 Ų136.293%0.9380%0.798SS**  trans-133.6136.9150.8-160.6163.3-173.7172.10109.5
133T32.8Very low32.9Very low103 Ų103135 Ų13563%0.63280%0.796SS**  trans-121.5172.5-157.545.60000113.5
134H29.5Very low33.2Very low175 Ų175137.5 Ų137.581%0.8181%0.807SS**  trans73.7100.5170.2-56-77.2000118.2
135A27.6Very low33.2Very low104 Ų104138.8 Ų138.886%0.8681%0.806SS**  -149.6138.5102.700000110.5
136T33.4Very low33.4Very low132 Ų132137.2 Ų137.281%0.8180%0.802SS**  trans-127.9153.8164.953.80000107.5
137P39.3Very low32.7Very low130 Ų130136.7 Ų136.784%0.84480%0.801SS**  -131.4177.189.838.3-28.7000113.2
138A34.1Very low33Very low83 Ų83140 Ų14069%0.68681%0.809SS**  trans-97.4-167.2176.700000112
139D31.9Very low32.9Very low155 Ų155138.1 Ų138.183%0.82980%0.8SS**  trans71.575.4167.1-56.6-29.4000118.4
140C30.3Very low32.8Very low135 Ų135138.6 Ų138.691%0.91280%0.8SS**  trans-142.1117.3141.2-114.80000109.4
141L36.1Very low33.3Very low161 Ų161137 Ų13784%0.84379%0.791SS**  trans-91.7170.3-178.9-77.3171.9000112.8
142T34.5Very low33.5Very low134 Ų134140.3 Ų140.382%0.82280%0.795SS**  trans84.1106.9163.5680000119.8
143S32Very low34.1Very low108 Ų108135 Ų13576%0.75578%0.783SS**  59.7100.1124.2-177.10000120.9
144V36.2Very low34.4Very low141 Ų141139.9 Ų139.986%0.85579%0.791SS**  -132.8132.6123.8-178.90000108.8
145Y30.5Very low34.5Very low203 Ų203134.4 Ų134.480%0.79678%0.782SS**  trans-127.6105.9178.7-170-71.3000109.7
146T35.9Very low34.9Very low125 Ų125134.3 Ų134.377%0.76778%0.775SS**  trans-151.795.3161.545.90000111.9
147S36.3Very low34.8Very low93 Ų93138.9 Ų138.965%0.6578%0.778SS**  trans8.8127.4139-440000119.8
148L35.5Very low34.6Very low180 Ų180142.3 Ų142.394%0.94278%0.775SS**  trans-126.396.5142.3-85.1175.8000109
149D30Very low34.4Very low132 Ų132148.3 Ų148.371%0.70679%0.786SS**  trans-89.3105.2178.9-170.1-18.2000110.2T151D149-T151 PolarHBondContact O-N 3.45Å; D149-T151 VanDerWaalsContact O-N 3.1Å
150M32.3Very low34.4Very low160 Ų160145 Ų14579%0.78878%0.78SS**  trans-83.977.8178.9-95.7-75.1167.700111H152M150-H152 PolarHBondContact O-N 2.86Å
151T37.9Very low34.4Very low118 Ų118142.2 Ų142.272%0.72478%0.775SS**  trans-6894.6176.242.30000112.1D149D149-T151 PolarHBondContact O-N 3.45Å; D149-T151 VanDerWaalsContact O-N 3.1Å
152H37.3Very low34.4Very low160 Ų160142 Ų14274%0.74177%0.772SS**  trans-71.1146.4169.9-78.8-58.7000112.1M150M150-H152 PolarHBondContact O-N 2.86Å
153P42.8Very low34.1Very low103 Ų103144.2 Ų144.267%0.66977%0.773SS**SBendtrans-71161.8-177.229.8-36000113
154Y38.4Very low34.3Very low205 Ų205145.1 Ų145.180%0.80478%0.777SS**  trans79.839.7-176.7-54.2-74.7000117
155G32.1Very low34Very low60 Ų60141.5 Ų141.562%0.61977%0.768SS**  trans-72.8155.6154.300000113.2
156S36.2Very low34.2Very low103 Ų103140.4 Ų140.472%0.7277%0.774SS**  trans56.287.8160.4-600000119.3
157W31Very low34.1Very low227 Ų227141 Ų14186%0.8678%0.778SS**  trans-125.868.5147.611.4-73.6000111.8
158Y34.9Very low33.9Very low203 Ų203141.4 Ų141.480%0.79679%0.787SS**  trans-132.7111153.762.5-82.3000108.4
159K30.2Very low33.6Very low208 Ų208137.2 Ų137.290%0.90478%0.778SS**  trans-102.1101.4174.9-174.5176.4-178.5178.20108.2G161K159-G161 PolarHBondContact O-N 3.08Å
160A32.1Very low34.2Very low85 Ų85137.2 Ų137.270%0.70279%0.785SS**  trans-62.9124.8171.300000109.6
161G30.9Very low34.4Very low78 Ų78134.6 Ų134.680%0.80479%0.789SS**  trans-87.1115.5174.100000110.2K159K159-G161 PolarHBondContact O-N 3.08Å
162I34.3Very low34.2Very low155 Ų155136.4 Ų136.480%0.79579%0.794SS**PPolyproline II helixtrans-84.1128.9179.8-66172.9000109.8
163H28.8Very low33.9Very low181 Ų181133.6 Ų133.684%0.83880%0.798SS**PPolyproline II helixtrans-77.6128.5159-96.7-110.4000109
164P36.5Very low33.5Very low128 Ų128134.7 Ų134.783%0.83180%0.804SS**PPolyproline II helixtrans-82.2125.9177.431.6-32.5000111.3
165G30Very low33.2Very low65 Ų65130.1 Ų130.167%0.6780%0.801SS**  trans164.3146.2168.800000114.7
166I35.2Very low33.2Very low179 Ų179132.6 Ų132.692%0.91881%0.809SS**  trans78.9140.5172.8-50.2172.7000115.1
167T33Very low32.8Very low138 Ų138139.1 Ų139.185%0.84782%0.818SS**  trans-92.7157.7-164.1-45.50000112.8
168A31.4Very low32.9Very low102 Ų102139.9 Ų139.984%0.84382%0.821SS**  trans-72.5145.1-178.300000114.8
169A30.7Very low32.9Very low92 Ų92137.6 Ų137.676%0.7682%0.823SS**  trans-145.3158.9163.600000108.4
170P41.7Very low32.9Very low131 Ų131134 Ų13485%0.85182%0.818SS**  trans-85.2167.7-155.633.2-37.1000115.8
171A36Very low33Very low105 Ų105138.5 Ų138.587%0.86882%0.824SS**  trans-76.5133.2-176.300000114
172N34Very low33.3Very low157 Ų157140.7 Ų140.784%0.8482%0.824SS**  -166.3107129.6-17011.6000110.4
173A31.4Very low33.1Very low100 Ų100140.8 Ų140.883%0.82683%0.826SS**  trans-160.7129.7168.300000110.7
174T34.8Very low33.3Very low127 Ų127137 Ų13778%0.77982%0.82SS**  trans-100.9155.6174.245.10000111.8
175S32.3Very low33.1Very low108 Ų108138.1 Ų138.176%0.75582%0.819SS**SBendtrans77.8147.1158.778.20000120.4
176S31Very low33.1Very low112 Ų112146.7 Ų146.778%0.78383%0.831SS**  trans56.690.6148.1-55.90000119.4
177W28Very low33Very low241 Ų241145.7 Ų145.791%0.91383%0.827SS**  trans-114.464.3169.3-164.4-1.2000113.6
178W32.8Very low32.9Very low242 Ų242145 Ų14592%0.91783%0.828SS**  trans-150.688.1155.84.172.2000110.7
179D35.4Very low32.8Very low156 Ų156144.3 Ų144.383%0.83482%0.822SS**  trans-162.3123.8150.6-107.7-40000109.6
180V31.7Very low32.8Very low131 Ų131146.4 Ų146.479%0.79483%0.826SS**  trans166.2111.4153.9156.30000106.6
181H33.2Very low32.5Very low181 Ų181148 Ų14884%0.83882%0.822SS**  trans-86.7130.3164.2-87-109000109.6N183H181-N183 PolarHBondContact O-N 3.33Å
182P37.8Very low33Very low124 Ų124148.9 Ų148.981%0.80582%0.819SS**  trans-89.991.7179.233.9-32.9000111.6
183N30.2Very low33Very low157 Ų157149.7 Ų149.784%0.8482%0.817SS**  trans-156.692.3163.5-159.217.9000114.9H181H181-N183 PolarHBondContact O-N 3.33Å
184S32Very low33.1Very low101 Ų101149.6 Ų149.671%0.70682%0.817SS**  trans-158.2126.4159.655.70000110.7
185N33.4Very low33.1Very low152 Ų152151.7 Ų151.781%0.81382%0.823SS**  trans-64.7136176.1-85.6-44.6000111.4
186W28.8Very low33.1Very low245 Ų245150.5 Ų150.593%0.92883%0.827SS**  trans-89.7114.2157.3-89.876.3000109.2
187L32.6Very low33.1Very low157 Ų157150.5 Ų150.582%0.82283%0.827SS**  trans-112.4137.1164-86.4166.1000108.6
188S31.5Very low33.5Very low124 Ų124147.2 Ų147.287%0.86783%0.827SS**  trans-80.1141.5-167.4-44.70000113.9
189A29.3Very low33.5Very low87 Ų87144.6 Ų144.672%0.71983%0.825SS**  trans-157.3126150.700000113.2
190T32Very low33.3Very low137 Ų137141.9 Ų141.984%0.8482%0.824SS**  trans35.7121.614553.60000122.4
191Q33.9Very low33.4Very low164 Ų164140.9 Ų140.977%0.76682%0.823SS**  trans-62.3160.7149-143.3178.9-4.800111
192P46.2Very low33.3Very low124 Ų124139.4 Ų139.481%0.80582%0.82SS**  -140.6-175.892.338.5-24.1000114.2
193Q35.8Very low33.4Very low174 Ų174141.8 Ų141.881%0.81382%0.821SS**  trans-92.8165-176.9-60.3-172.7-91.200114.1
194A33.5Very low34.2Very low98 Ų98139.7 Ų139.781%0.8182%0.816SS**  trans-146.5149.1151.400000110
195D33.6Very low34.2Very low171 Ų171142 Ų14291%0.91483%0.826SS**  trans-79.1165.1178.1-66.5-80000113.5
196G31.8Very low34.4Very low82 Ų82138.8 Ų138.885%0.84582%0.82SS**  trans162.7104.6166.800000113.9
197S31.5Very low35.2Very low112 Ų112133.1 Ų133.178%0.78381%0.814SS**  trans-98.9152.2174.955.40000112.2
198L35.7Very low35.2Very low172 Ų172134.4 Ų134.490%0.90182%0.816SS**  174.4163124.5-91.4169.6000112
199Q33.7Very low35.2Very low187 Ų187133 Ų13387%0.87481%0.812SS**  trans-108.4148.8-176.7-63.8157.7-11500111.9
200A31.6Very low35.4Very low100 Ų100134.9 Ų134.983%0.82682%0.82SS**  trans-167121.7143.800000115.3
201S32.3Very low35.4Very low109 Ų109136.6 Ų136.676%0.76282%0.823SS**  trans31.7110.9139.2-54.60000125.2
202L32.6Very low35.4Very low150 Ų150134.2 Ų134.279%0.78583%0.825SS**  58.3102114-63.3169.8000123.8
203Q39.6Very low35.5Very low174 Ų174134.4 Ų134.481%0.81383%0.826SS**  60.8-176.4129.4-52.6-165-34.300119.6
204P45.9Very low35.3Very low114 Ų114134.7 Ų134.774%0.7483%0.827SS**  -130.5168.5-89.340.7-23.8000115.4
205V33.6Very low35.3Very low150 Ų150137.7 Ų137.791%0.90983%0.829SS**  trans-130.6140.6171.7178.10000111
206A37.9Very low35.9Very low83 Ų83135.5 Ų135.569%0.68682%0.824SS**  trans-96.2164.2-176.500000112.3
207P43.7Very low35.8Very low126 Ų126137.2 Ų137.282%0.81882%0.823SS**  trans-81.7157.8-162.533-36.2000114.6
208Q34.4Very low35.8Very low184 Ų184142.3 Ų142.386%0.8683%0.826SS**  trans-105.5144.2166.1-74.3-64.2-36.100110.4
209A31.7Very low35.6Very low95 Ų95138.6 Ų138.679%0.78582%0.815SS**PPolyproline II helixtrans-89.2136.5-179.200000111.5
210S32.1Very low35.8Very low126 Ų126133.8 Ų133.888%0.88180%0.802SS**PPolyproline II helixtrans-88.6136.2173.9-64.40000111.5
211L32Very low35.8Very low173 Ų173135.3 Ų135.391%0.90680%0.796SS**PPolyproline II helixtrans-84.3140.8-178.8-68.4161.2000112
212S34.7Very low35.9Very low114 Ų114139.9 Ų139.980%0.79780%0.803SS**PPolyproline II helixtrans-89.3138170.8-54.50000111.9
213P48.1Very low36.1Very low128 Ų128138.8 Ų138.883%0.83180%0.802SS**PPolyproline II helixtrans-87.3136.8157.9-5.724.8000110.9
214Q32.3Very low36.2Very low181 Ų181136.3 Ų136.385%0.84680%0.801SS**PPolyproline II helixtrans-87.2157.8168.1-73-74.92.600110.8
215L33.5Very low35.5Very low161 Ų161139.3 Ų139.384%0.84381%0.81SS**  trans-110.7147.7167.1-77.4172.2000110.6
216P45.2Very low35.5Very low124 Ų124139.3 Ų139.381%0.80581%0.805SS**  trans-81.6154.9-165.732.1-36.6000114.5
217S30.9Very low36.5Very low118 Ų118140.4 Ų140.483%0.82581%0.805SS**  trans-87156.5176.149.70000113.3
218Y30.9Very low35.9Very low219 Ų219138.8 Ų138.886%0.85980%0.802SS**  trans-142.2145.9162.3-171.7-101.7000111.6
219S31.3Very low36.4Very low94 Ų94134.9 Ų134.966%0.65779%0.793SS**  trans-150.7151.7-178.8-75.90000106.9
220S38.5Very low36.2Very low86 Ų86140.8 Ų140.860%0.60180%0.796SS**  cis-162.4-149.7-3.2430000109
221D31.5Very low37Very low132 Ų132140.8 Ų140.871%0.70679%0.793SS**  trans96.2113155.1-50.7-9.3000117.8
222F33.2Very low37.2Very low206 Ų206137.5 Ų137.590%0.90479%0.785SS**  -165.6151101.3-111.2-79.2000111.3
223T37.2Very low37.4Very low126 Ų126139.3 Ų139.377%0.77379%0.791SS**  trans-106.4153-17839.70000113.2
224P40.9Very low36.6Very low122 Ų122136.4 Ų136.479%0.79278%0.784SS**  trans-89.5156.6-176.335.6-35.8000114.2
225L32.2Very low36.7Very low178 Ų178136.7 Ų136.793%0.93279%0.791SS**  trans-110.4162.9169.8-70.6173.1000111.6
226N32.7Very low36.5Very low150 Ų150132.6 Ų132.680%0.80279%0.787SS**  trans-158.9-177-168.6-159.326.2000109.7
227P59.5Low35.9Very low106 Ų106132.5 Ų132.569%0.68879%0.79SS**  -103.1-177.8-78.334.8-21.9000113.7
228A30.7Very low35.9Very low91 Ų91132.7 Ų132.775%0.75279%0.791SS**  trans155.6168.314100000112.9
229P46.2Very low36.1Very low103 Ų103127.8 Ų127.867%0.66979%0.789SS**  -142.7151.8-56.440.9-25000116.6
230Y27.6Very low36.4Very low218 Ų218131.5 Ų131.586%0.85580%0.795SS**  trans60.6172.7151.4-72.8-52.4000119.8
231P48.3Very low36.2Very low126 Ų126134.5 Ų134.582%0.81880%0.804SS**  cis-120.9-179.81.142.8-29000116.1
232S36.8Very low36.3Very low105 Ų105136.5 Ų136.573%0.73481%0.813SS**  trans-103.6158.1-178.2-46.30000113.6
233V37.5Very low36.4Very low152 Ų152135.3 Ų135.392%0.92181%0.811SS**  trans-127.1156.5152.6-70.60000109.3
234G32.7Very low36.3Very low66 Ų66135 Ų13568%0.6881%0.811SS**  trans-142.2-151.7-173.300000113.5
235L34Very low35.9Very low188 Ų188135.1 Ų135.198%0.98482%0.815SS**  trans75138.1-164.4-46.9175.5000112.7
236G27.7Very low36.2Very low75 Ų75134.9 Ų134.977%0.77381%0.809SS**  cis-162.7160.2-4.600000111.9
237S33.7Very low36.3Very low122 Ų122136.3 Ų136.385%0.85381%0.81SS**  trans-80.6139.3-176.4-49.60000112.8
238S30.4Very low35Very low122 Ų122138.4 Ų138.485%0.85381%0.813SS**  trans-156.9115.1155.1-83.30000110.5
239S36.5Very low35.4Very low116 Ų116141.4 Ų141.481%0.81182%0.815SS**  trans-99.2116.8178.8-57.50000110.1
240H36.4Very low35.1Very low172 Ų172142.5 Ų142.580%0.79682%0.822SS**  trans-141.7114.5166.5-103.1-88.4000112.5
241L33.9Very low35.5Very low149 Ų149141 Ų14178%0.7882%0.823SS**  trans41.7112.9144.7-52.4176.6000119.2
242L34Very low34.8Very low174 Ų174141.8 Ų141.891%0.91182%0.82SS**  -175.1125112.8-96.7156.1000110.5
243Q35.2Very low34.8Very low180 Ų180145 Ų14584%0.84183%0.826SS**PPolyproline II helixtrans-91.6153.9169-82.9-178.7-87.600110.9
244P35.8Very low34.8Very low119 Ų119148.9 Ų148.977%0.77383%0.826SS**PPolyproline II helixtrans-77.5130.4179.6-9.226.6000112Q246P244-Q246 PolarHBondContact O-N 2.78Å
245S33.1Very low34.7Very low126 Ų126154.7 Ų154.788%0.88183%0.832SS**PPolyproline II helixtrans-67.9126.1171.8-62.10000111.5
246Q37.7Very low34.8Very low172 Ų172151.6 Ų151.680%0.80482%0.823SS**PPolyproline II helixtrans-78.5133.2175.3-66.8179.1-18.300111.1P244 M248P244-Q246 PolarHBondContact O-N 2.78Å; Q246-M248 PolarHBondContact O-N 3.35Å
247H34.6Very low35.1Very low180 Ų180157 Ų15783%0.83383%0.825SS**  trans-92.598.5178.5-150.2-82.6000110.3
248M33Very low35.1Very low151 Ų151157 Ų15774%0.74482%0.823SS**PPolyproline II helixtrans-85.6128.5179-77.9-76.2104.300112Q246Q246-M248 PolarHBondContact O-N 3.35Å
249L37.9Very low35.3Very low153 Ų153157.9 Ų157.980%0.80182%0.823SS**PPolyproline II helixtrans-89.7125.7170.4-93.7134000110.2Q251L249-Q251 PolarHBondContact O-N 2.75Å
250P40.9Very low34.8Very low126 Ų126158 Ų15882%0.81882%0.823SS**PPolyproline II helixtrans-72.8120.2170.2-17.432000111.7
251Q34.9Very low34.6Very low188 Ų188155.6 Ų155.688%0.87983%0.826SS**  trans-126.498.2157.6-77.8-154.820.800109.4L249L249-Q251 PolarHBondContact O-N 2.75Å
252D33.2Very low34.5Very low141 Ų141153.6 Ų153.675%0.75483%0.831SS**  trans-15988.1170.4-133.3-28.6000111
253M38.6Very low34.2Very low174 Ų174149.2 Ų149.286%0.85783%0.828SS**  trans-145.928.3-178.2-101.6-58.2107.900115.3
254Y37.3Very low34Very low232 Ų232147.9 Ų147.991%0.9183%0.826SS**  trans-141.699.4163.4-90.6-73.3000112.1
255K30.5Very low34.2Very low189 Ų189150 Ų15082%0.82283%0.828SS**  trans-136109.1168.6-166.7166.4-173.1169.80110
256P34.8Very low34Very low122 Ų122151.1 Ų151.179%0.79282%0.82SS**PPolyproline II helixtrans-68.2141.7177.928.2-33.4000110.5
257K34.2Very low33.7Very low189 Ų189150.6 Ų150.682%0.82282%0.822SS**PPolyproline II helixtrans-82.1137176-63177.8-177.9177.20109.7
258P33.3Very low33.8Very low122 Ų122146.5 Ų146.579%0.79281%0.814SS**PPolyproline II helixtrans-69.1146.8166.631-33.7000110
259V34.8Very low34Very low141 Ų141148.6 Ų148.686%0.85582%0.824SS**  trans-120.3117.4171.3-175.70000107.6
260S27.5Very low33.7Very low117 Ų117144.8 Ų144.882%0.81882%0.822SS**  trans-87.4150-178.9-62.60000112.2
261S31.8Very low33.3Very low122 Ų122147.1 Ų147.185%0.85383%0.827SS**  trans-84.1129.9-177.553.70000114.1
262A31Very low33.5Very low107 Ų107148 Ų14888%0.88483%0.828SS**  trans-165.9141.6147.900000109.3
263G28.9Very low33.6Very low82 Ų82147 Ų14785%0.84583%0.829SS**  trans159.559.5-17800000113.9
264L31.2Very low33.3Very low153 Ų153143.4 Ų143.480%0.80183%0.827SS**  trans-86.2116.7-176.3-165.9172.9000110.1E266L264-E266 HydrophobicContact CD2-CB 4.41Å
265I38.9Very low33.3Very low162 Ų162144.9 Ų144.983%0.83183%0.831SS**  trans-131.4122.8158.4-55.6-178.3000108.4
266E28.6Very low33.3Very low151 Ų151139.5 Ų139.571%0.70683%0.829SS**  trans-88.3143-179.8-175.3179.613400110.7L264L264-E266 HydrophobicContact CD2-CB 4.41Å
267N32.1Very low33.4Very low160 Ų160139.8 Ų139.886%0.85683%0.834SS**  trans-162.9109.2157.2-106.1-45.9000110.5
268S36.6Very low33.5Very low94 Ų94134.9 Ų134.966%0.65784%0.837SS**  trans-98.2126.5-17959.20000112.3
269M36.7Very low33.4Very low195 Ų195132.5 Ų132.596%0.96183%0.834SS**  trans-160.9125.9151.8-111.6173.4-72.200108.9
270G31Very low33.9Very low73 Ų73136.8 Ų136.875%0.75384%0.837SS**  trans-124.7134.2-173.600000112.9
271L34.4Very low34.3Very low175 Ų175136.8 Ų136.892%0.91684%0.837SS**  trans-138.2141.1165.5-72.3177.3000109.8
272K37.4Very low34.5Very low207 Ų207134.7 Ų134.790%0.983%0.834SS**  trans-98.3137.9169.4-68.6175.3178.1173.60109.2
273P35.2Very low34.6Very low121 Ų121133.3 Ų133.379%0.78683%0.831SS**  -121.8134122-1.922.8000109.8
274A32.5Very low34.7Very low97 Ų97134.3 Ų134.380%0.80283%0.831SS**  88.1135.46500000112.8
275R37.7Very low35Very low263 Ų263133.1 Ų133.199%0.99283%0.83SS**  trans-52.4134.9-174.5-89.9172.3162174-6.9113.2
276G31.8Very low35.3Very low76 Ų76131.1 Ų131.178%0.78483%0.828SS**  trans-133.8138.6164.100000110.6
277S36.7Very low35.9Very low129 Ų129129.7 Ų129.790%0.90283%0.834SS**  trans-91.5148.9-167.2-55.70000114.4
278G36.2Very low36.8Very low86 Ų86132.3 Ų132.389%0.88783%0.832SS**  trans83.311114600000117.5
279G31.2Very low37.3Very low71 Ų71133.1 Ų133.173%0.73284%0.838SS**  trans-177.593170.200000112
280Y44.2Very low37.8Very low232 Ų232127.8 Ų127.891%0.9182%0.82SS**  trans-83.1123.1167.754.6-87.1000108.7
281S36.6Very low39.2Very low117 Ų117127.4 Ų127.482%0.81881%0.805SS**  trans-151.4149.8173.452.60000110.7
282G36.5Very low40.1Very low77 Ų77126.7 Ų126.779%0.79480%0.802SS**PPolyproline II helixtrans-66.4149.5-160.100000115.1A284G282-A284 PolarHBondContact O-N 3.46Å
283G31.9Very low41.5Very low79 Ų79119.5 Ų119.581%0.81478%0.777SS**PPolyproline II helixtrans-59.1132.7174.500000112.1T285G283-T285 PolarHBondContact O-N 3.35Å
284A31.9Very low42.9Very low103 Ų103118.8 Ų118.885%0.85177%0.773SS**PPolyproline II helixtrans-64.1131.8179.700000111.3G282G282-A284 PolarHBondContact O-N 3.46Å
285T37.2Very low43.9Very low127 Ų127118.9 Ų118.978%0.77976%0.759SS**PPolyproline II helixtrans-74.8148.5167.848.10000110G283G283-T285 PolarHBondContact O-N 3.35Å
286P44.9Very low45Very low121 Ų121107.8 Ų107.879%0.78672%0.722SS**PPolyproline II helixtrans-62.9145.8-177.425.5-34.5000111.4R288P286-R288 PolarHBondContact O-N 3.01Å
287S42.3Very low46.6Very low120 Ų120110 Ų11084%0.83971%0.712SS**PPolyproline II helixtrans-55.2126.1-175.737.60000112.2
288R50.1Low47.7Very low216 Ų216109 Ų10982%0.81569%0.693SS**PPolyproline II helixtrans-67.9136.2161.8-74.9174.2167.2-110.7-1.7108P286 S290P286-R288 PolarHBondContact O-N 3.01Å; R288-S290 PolarHBondContact O-N 3.25Å
289S47.4Very low48.9Very low110 Ų110106.1 Ų106.177%0.76966%0.657SS**PPolyproline II helixtrans-55.5123.316852.70000109.6C291S289-C291 PolarHBondContact O-N 2.79Å
290S47.6Very low50.7Low84 Ų84109.8 Ų109.859%0.58766%0.655SS**PPolyproline II helixtrans-55.6138.3172.8-169.70000109.6R288 D292R288-S290 PolarHBondContact O-N 3.25Å; S290-D292 PolarHBondContact OG-OD1 3.46Å
291C58.8Low51.7Low65 Ų65108.4 Ų108.444%0.43965%0.648SS.*  trans-117.510116938.40000107.7S289 C293 C296S289-C291 PolarHBondContact O-N 2.79Å; C291-C293 PolarHBondContact O-N 3.21Å; C291-C296 HydrophobicContact CB-CB 3.99Å; C291-C296 WeakPolarHBondContact CB-SG 3.38Å; C291-C296 WeakPolarHBondContact O-CB 3.48Å; C291-C296 WeakPolarHBondContact SG-CB 3.38Å; C291-C296 CovalentContact SG-SG 2.05Å; C291-C296 PolarHBondContact SG-SG 3.36Å
292D53.2Low53.1Low160 Ų160106.4 Ų106.486%0.85663%0.628SS**  trans-7654.1178.7-53.5-61.7000111.4S290S290-D292 PolarHBondContact OG-OD1 3.46Å
293C66.9Low54.8Low55 Ų55104.4 Ų104.437%0.37261%0.608SS.*SBendtrans-113.7146170.384.30000109.9C291 N295 C296 Q297C291-C293 PolarHBondContact O-N 3.21Å; C293-N295 PolarHBondContact O-N 3.36Å; C293-N295 VanDerWaalsContact O-N 3.08Å; C293-C296 PolarHBondContact O-N 3.38Å; C293-C296 VanDerWaalsContact SG-SG 3.61Å; C293-Q297 PolarHBondContact O-N 2.81Å
294P64.3Low56.3Low107 Ų107105 Ų10570%0.69561%0.605SS**Hα-helixtrans-55-37.1-172.5-28.535.3000113.6C296 Q297 E298P294-C296 PolarHBondContact O-N 3.37Å; P294-Q297 PolarHBondContact O-N 3.46Å; P294-E298 WeakPolarHBondContact O-CB 3.33Å; P294-E298 PolarHBondContact O-N 3.11Å
295N54.1Low57.8Low98 Ų98105.5 Ų105.552%0.52460%0.602SS.*Hα-helixtrans-69.5-27.2179.4-17252.8000113.4C293 L299C293-N295 PolarHBondContact O-N 3.36Å; C293-N295 VanDerWaalsContact O-N 3.08Å; N295-L299 WeakPolarHBondContact O-CB 3.34Å; N295-L299 WeakPolarHBondContact O-CD1 3.49Å; N295-L299 PolarHBondContact O-N 3.13Å
296C62.2Low58.9Low31 Ų3199.5 Ų99.521%0.20957%0.565CS.*Hα-helixtrans-74.4-44.8170.3-77.90000110.9C291 C293 P294 E298 L299 E300C291-C296 HydrophobicContact CB-CB 3.99Å; C291-C296 WeakPolarHBondContact CB-SG 3.38Å; C291-C296 WeakPolarHBondContact O-CB 3.48Å; C291-C296 WeakPolarHBondContact SG-CB 3.38Å; C291-C296 CovalentContact SG-SG 2.05Å; C291-C296 PolarHBondContact SG-SG 3.36Å; C293-C296 PolarHBondContact O-N 3.38Å; C293-C296 VanDerWaalsContact SG-SG 3.61Å; P294-C296 PolarHBondContact O-N 3.37Å; C296-E298 PolarHBondContact O-N 2.87Å; C296-L299 CarbonylContact O-C 3.34Å; C296-L299 WeakPolarHBondContact O-CA 3.48Å; C296-L299 WeakPolarHBondContact O-CB 3.41Å; C296-L299 PolarHBondContact O-N 2.78Å; C296-L299 VanDerWaalsContact O-N 3.1Å; C296-E300 PolarHBondContact O-N 3.08Å
297Q65Low59.6Low123 Ų12397 Ų9758%0.57556%0.555SS**Hα-helixtrans-63.2-40.1-179.1-163176.729.800112.4C293 P294 L299 E300 R301C293-Q297 PolarHBondContact O-N 2.81Å; P294-Q297 PolarHBondContact O-N 3.46Å; Q297-L299 VanDerWaalsContact C-N 3.33Å; Q297-L299 PolarHBondContact O-N 2.95Å; Q297-E300 PolarHBondContact O-N 3.21Å; Q297-R301 WeakPolarHBondContact O-CG 3.38Å; Q297-R301 PolarHBondContact O-N 2.98Å; Q297-R301 VanDerWaalsContact O-N 3.07Å
298E60.1Low60.4Low108 Ų10897.1 Ų97.151%0.50556%0.556SS.*Hα-helixtrans-60.1-42.9171.9-161.567.3-13900111.5P294 C296 E300 R301 L302P294-E298 WeakPolarHBondContact O-CB 3.33Å; P294-E298 PolarHBondContact O-N 3.11Å; C296-E298 PolarHBondContact O-N 2.87Å; E298-E300 VanDerWaalsContact C-N 3.26Å; E298-E300 PolarHBondContact O-N 3.13Å; E298-R301 PolarHBondContact O-N 3.15Å; E298-L302 HydrophobicContact CG-CD1 4.11Å; E298-L302 WeakPolarHBondContact O-CB 3.25Å; E298-L302 VanDerWaalsContact O-CG 3.31Å; E298-L302 WeakPolarHBondContact O-CG 3.41Å; E298-L302 PolarHBondContact O-N 3.33Å
299L61.3Low60.8Low25 Ų2592.3 Ų92.313%0.13155%0.545CS..Hα-helixtrans-67.1-22.6178-105.2152.6000113.8N295 C296 Q297 A306 R310N295-L299 WeakPolarHBondContact O-CB 3.34Å; N295-L299 WeakPolarHBondContact O-CD1 3.49Å; N295-L299 PolarHBondContact O-N 3.13Å; C296-L299 CarbonylContact O-C 3.34Å; C296-L299 WeakPolarHBondContact O-CA 3.48Å; C296-L299 WeakPolarHBondContact O-CB 3.41Å; C296-L299 PolarHBondContact O-N 2.78Å; C296-L299 VanDerWaalsContact O-N 3.1Å; Q297-L299 VanDerWaalsContact C-N 3.33Å; Q297-L299 PolarHBondContact O-N 2.95Å; L299-A306 HydrophobicContact CD2-CB 3.61Å; L299-A306 HydrophobicContact CG-CB 4.42Å; L299-R310 HydrophobicContact CD2-CG 3.98Å
300E67.6Low61.4Low148 Ų14893.4 Ų93.469%0.69253%0.533SS*.Hα-helixtrans-82.7-41.8171.6-69.2-172.9154.700111.8C296 Q297 E298 L302 G303C296-E300 PolarHBondContact O-N 3.08Å; Q297-E300 PolarHBondContact O-N 3.21Å; E298-E300 VanDerWaalsContact C-N 3.26Å; E298-E300 PolarHBondContact O-N 3.13Å; E300-L302 PolarHBondContact O-N 3.46Å; E300-G303 PolarHBondContact O-N 3.29Å
301R66Low62Low202 Ų20297.6 Ų97.676%0.76254%0.54SS*.Hα-helixtrans-59-34.4173.4-66.4-176100.589.4-0112.7Q297 E298Q297-R301 WeakPolarHBondContact O-CG 3.38Å; Q297-R301 PolarHBondContact O-N 2.98Å; Q297-R301 VanDerWaalsContact O-N 3.07Å; E298-R301 PolarHBondContact O-N 3.15Å
302L66.4Low62.3Low76 Ų76102.7 Ų102.740%0.39856%0.555SS.*THydrogen-bonded Turntrans-89.4-1.9-178.9-63.9171.7000114.3E298 E300 S305 A306E298-L302 HydrophobicContact CG-CD1 4.11Å; E298-L302 WeakPolarHBondContact O-CB 3.25Å; E298-L302 VanDerWaalsContact O-CG 3.31Å; E298-L302 WeakPolarHBondContact O-CG 3.41Å; E298-L302 PolarHBondContact O-N 3.33Å; E300-L302 PolarHBondContact O-N 3.46Å; L302-S305 WeakPolarHBondContact O-CB 3.45Å; L302-S305 PolarHBondContact O-N 3.21Å; L302-A306 HydrophobicContact CB-CB 3.69Å; L302-A306 PolarHBondContact O-N 2.84Å
303G72.4Confident63Low35 Ų3599.5 Ų99.536%0.36154%0.543SS..G310 helixtrans52.1-137.8168.200000116.1E300 S305 A306E300-G303 PolarHBondContact O-N 3.29Å; G303-S305 VanDerWaalsContact C-N 3.29Å; G303-S305 PolarHBondContact O-N 2.82Å; G303-A306 PolarHBondContact O-N 3.1Å
304A62Low63.5Low92 Ų92101.7 Ų101.776%0.7655%0.554SS**G310 helixtrans-65.4-31179.400000112.9A306 A307A304-A306 PolarHBondContact O-N 2.76Å; A304-A307 WeakPolarHBondContact O-CB 3.49Å; A304-A307 PolarHBondContact O-N 2.83Å; A304-A307 VanDerWaalsContact O-N 3.1Å
305S63.8Low64.2Low113 Ų11399 Ų9979%0.7953%0.532SS*.G310 helixtrans-60.1-29.8-179.9-45.50000112.7L302 G303 A307L302-S305 WeakPolarHBondContact O-CB 3.45Å; L302-S305 PolarHBondContact O-N 3.21Å; G303-S305 VanDerWaalsContact C-N 3.29Å; G303-S305 PolarHBondContact O-N 2.82Å; S305-A307 PolarHBondContact O-N 3.37Å
306A59.8Low65.6Low0 Ų097.8 Ų97.80%053%0.531CS..G310 helixtrans-76.45.2177.500000115L299 L302 G303 A304 S308 L309 R310L299-A306 HydrophobicContact CD2-CB 3.61Å; L299-A306 HydrophobicContact CG-CB 4.42Å; L302-A306 HydrophobicContact CB-CB 3.69Å; L302-A306 PolarHBondContact O-N 2.84Å; G303-A306 PolarHBondContact O-N 3.1Å; A304-A306 PolarHBondContact O-N 2.76Å; A306-S308 VanDerWaalsContact C-N 3.28Å; A306-S308 PolarHBondContact O-N 2.86Å; A306-L309 HydrophobicContact CB-CB 4.43Å; A306-L309 CarbonylContact O-C 3.51Å; A306-L309 WeakPolarHBondContact O-CA 3.43Å; A306-L309 PolarHBondContact O-N 3.34Å; A306-R310 WeakPolarHBondContact O-CG 3.33Å; A306-R310 PolarHBondContact O-N 3.4Å; A306-R310 VanDerWaalsContact O-N 3.14Å
307A59.5Low66.7Low69 Ų6996.8 Ų96.857%0.5753%0.525SS*.G310 helixtrans-52.6-42.8179.700000113.3A304 S305 R310A304-A307 WeakPolarHBondContact O-CB 3.49Å; A304-A307 PolarHBondContact O-N 2.83Å; A304-A307 VanDerWaalsContact O-N 3.1Å; S305-A307 PolarHBondContact O-N 3.37Å; A307-R310 WeakPolarHBondContact O-CB 3.45Å; A307-R310 VanDerWaalsContact O-CG 3.29Å; A307-R310 WeakPolarHBondContact O-CG 3.45Å
308S59.1Low67.4Low123 Ų12399.7 Ų99.786%0.8654%0.538SS*.G310 helixtrans-75.6-21.1175.6-60.60000113.9A306 R310A306-S308 VanDerWaalsContact C-N 3.28Å; A306-S308 PolarHBondContact O-N 2.86Å; S308-R310 VanDerWaalsContact C-N 3.33Å
309L58.5Low68.4Low114 Ų11497.1 Ų97.160%0.59753%0.527SS*.G310 helixtrans-87.3-0.2177.2-63.6177.4000113.1A306 K311A306-L309 HydrophobicContact CB-CB 4.43Å; A306-L309 CarbonylContact O-C 3.51Å; A306-L309 WeakPolarHBondContact O-CA 3.43Å; A306-L309 PolarHBondContact O-N 3.34Å; L309-K311 PolarHBondContact O-N 3.33Å
310R61.6Low68.7Low133 Ų133101.8 Ų101.850%0.50256%0.559SS.*  trans-65.474.9170.9-63-98.6-179-173.5-4.9110.5L299 A306 A307 S308 K312L299-R310 HydrophobicContact CD2-CG 3.98Å; A306-R310 WeakPolarHBondContact O-CG 3.33Å; A306-R310 PolarHBondContact O-N 3.4Å; A306-R310 VanDerWaalsContact O-N 3.14Å; A307-R310 WeakPolarHBondContact O-CB 3.45Å; A307-R310 VanDerWaalsContact O-CG 3.29Å; A307-R310 WeakPolarHBondContact O-CG 3.45Å; S308-R310 VanDerWaalsContact C-N 3.33Å; R310-K312 PolarHBondContact O-N 3.13Å
311K60.1Low68.9Low173 Ų17399.2 Ų99.275%0.75257%0.572SS**  trans-48.2114.7165.9-70176.2-178.6171.90107.3L309L309-K311 PolarHBondContact O-N 3.33Å
312K64.4Low69.6Low172 Ų17290.5 Ų90.575%0.74854%0.542SS*.  trans-52.6133.1-175.2-67.2171.5-177168.10108.5R310 V314R310-K312 PolarHBondContact O-N 3.13Å; K312-V314 VanDerWaalsContact O-CG2 3.26Å; K312-V314 WeakPolarHBondContact O-CG2 3.3Å; K312-V314 PolarHBondContact O-N 3.2Å; K312-V314 VanDerWaalsContact O-N 3.09Å
313P67.4Low70.2Confident92 Ų9289.9 Ų89.960%0.59755%0.554SS**  trans-55.4121.5-172.221.6-33000110.3H315P313-H315 PolarHBondContact O-CD2 2.86Å; P313-H315 PolarHBondContact O-NE2 3.4Å
314V77.4Confident70.6Confident101 Ų10193.1 Ų93.161%0.61256%0.558SS**  trans-94.6114.3-173.6-179.40000107.7K312 V325K312-V314 VanDerWaalsContact O-CG2 3.26Å; K312-V314 WeakPolarHBondContact O-CG2 3.3Å; K312-V314 PolarHBondContact O-N 3.2Å; K312-V314 VanDerWaalsContact O-N 3.09Å; V314-V325 HydrophobicContact CG1-CG1 3.2Å
315H80.4Confident71.7Confident51 Ų5193.1 Ų93.124%0.23655%0.549CS..EExtended strand (participates in β ladder)trans-103.496.2-174.9-58.6-82.6000109.6P313 Y326 K328 A329 L332P313-H315 PolarHBondContact O-CD2 2.86Å; P313-H315 PolarHBondContact O-NE2 3.4Å; H315-Y326 WeakPolarHBondContact CB-O 3.18Å; H315-Y326 PolarHBondContact N-O 2.87Å; H315-Y326 PolarHBondContact O-N 3.49Å; H315-K328 VanDerWaalsContact CD2-C 3.4Å; H315-A329 PolarHBondContact CD2-N 3.16Å; H315-A329 PolarHBondContact NE2-N 3.12Å; H315-L332 HydrophobicContact CB-CB 3.86Å; H315-L332 HydrophobicContact CB-CD2 3.74Å; H315-L332 HydrophobicContact CB-CG 4.4Å
316S82.9Confident72.7Confident72 Ų7290.3 Ų90.350%0.50352%0.521SS..EExtended strand (participates in β ladder)trans-80.8150.9175.547.10000112.3K324 L332S316-K324 CarbonylContact C-O 3.6Å; S316-L332 VanDerWaalsContact O-CD2 3.3Å; S316-L332 WeakPolarHBondContact O-CD2 3.16Å
317C84.9Confident73.7Confident10 Ų1093 Ų937%0.06855%0.549CS..  trans-78.5122.2166.6-166.70000109.5I319 C322 K324 L332 H335 H339C317-I319 VanDerWaalsContact C-N 3.27Å; C317-I319 PolarHBondContact O-N 2.87Å; C317-C322 HydrophobicContact CB-CB 4.38Å; C317-K324 PolarHBondContact N-O 3Å; C317-L332 HydrophobicContact CB-CD1 4.08Å; C317-H335 PolarHBondContact SG-NE2 2.86Å; C317-H339 PolarHBondContact SG-NE2 3.39Å
318H80.4Confident74.8Confident184 Ų18495.6 Ų95.685%0.85255%0.547SS*.  trans-77-12.5179.2-177.961000113.3
319I80.3Confident75.8Confident55 Ų5592.3 Ų92.328%0.28253%0.528SS..SBendtrans-72.4125.9-173.8-63.1174.6000109.6C317 C322 L336 H339C317-I319 VanDerWaalsContact C-N 3.27Å; C317-I319 PolarHBondContact O-N 2.87Å; I319-C322 VanDerWaalsContact O-CB 3.29Å; I319-C322 WeakPolarHBondContact O-CB 3.49Å; I319-C322 PolarHBondContact O-N 3.23Å; I319-C322 VanDerWaalsContact O-N 3.15Å; I319-L336 HydrophobicContact CD1-CD2 3.83Å; I319-L336 HydrophobicContact CG1-CD2 4.39Å; I319-H339 HydrophobicContact CD1-CB 3.43Å; I319-H339 VanDerWaalsContact CD1-CB 3.43Å; I319-H339 VanDerWaalsContact CD1-CG 3.45Å
320P68.1Low76.9Confident122 Ų12290.5 Ų90.579%0.79253%0.525SS*.THydrogen-bonded Turntrans-58.9145.4-175.923.5-34000111.7C322P320-C322 PolarHBondContact O-N 2.87Å
321G71.7Confident77.9Confident94 Ų9488.4 Ų88.497%0.96952%0.52SS*.THydrogen-bonded Turntrans74.3-10-174.700000115.4
322C80.1Confident79Confident19 Ų1981.3 Ų81.313%0.12849%0.491CS..THydrogen-bonded Turntrans-85.9-51.4-178.4-167.50000114.1C317 I319 P320 K324 H335 H339C317-C322 HydrophobicContact CB-CB 4.38Å; I319-C322 VanDerWaalsContact O-CB 3.29Å; I319-C322 WeakPolarHBondContact O-CB 3.49Å; I319-C322 PolarHBondContact O-N 3.23Å; I319-C322 VanDerWaalsContact O-N 3.15Å; P320-C322 PolarHBondContact O-N 2.87Å; C322-K324 PolarHBondContact O-N 3.38Å; C322-H335 PolarHBondContact SG-CE1 2.77Å; C322-H335 PolarHBondContact SG-NE2 3.42Å; C322-H339 WeakPolarHBondContact CB-CE1 3.2Å; C322-H339 WeakPolarHBondContact CB-NE2 3.32Å; C322-H339 PolarHBondContact SG-CE1 3.31Å; C322-H339 PolarHBondContact SG-NE2 3.21Å
323G79.4Confident79.7Confident64 Ų6479.9 Ų79.966%0.6648%0.484SS*.  trans62.4-0.3176.100000117.5
324K81.3Confident80.3Confident103 Ų10376.5 Ų76.545%0.44846%0.464SS..  trans-72.3141.6-173-68.4175.8-171.7174.60112.5S316 C317 C322 Y326S316-K324 CarbonylContact C-O 3.6Å; C317-K324 PolarHBondContact N-O 3Å; C322-K324 PolarHBondContact O-N 3.38Å; K324-Y326 HydrophobicContact CB-CE2 3.71Å
325V84.6Confident80.5Confident91 Ų9172.6 Ų72.655%0.55244%0.439SS*.EExtended strand (participates in β ladder)trans-127.7134.5-171.4178.10000111.2V314V314-V325 HydrophobicContact CG1-CG1 3.2Å
326Y84.6Confident80.5Confident54 Ų5472.9 Ų72.921%0.21244%0.442CS..EExtended strand (participates in β ladder)trans-131.2129-172.3-60.1-84.4000112.5H315 K324 K328 H331 L332 H335H315-Y326 WeakPolarHBondContact CB-O 3.18Å; H315-Y326 PolarHBondContact N-O 2.87Å; H315-Y326 PolarHBondContact O-N 3.49Å; K324-Y326 HydrophobicContact CB-CE2 3.71Å; Y326-K328 PolarHBondContact O-N 3.49Å; Y326-K328 VanDerWaalsContact O-N 3.11Å; Y326-H331 HydrophobicContact CD1-CB 3.7Å; Y326-H331 HydrophobicContact CG-CB 4.11Å; Y326-L332 HydrophobicContact CD2-CB 4.12Å; Y326-L332 HydrophobicContact CD2-CD1 4.03Å; Y326-L332 HydrophobicContact CE2-CD1 4.36Å; Y326-L332 HydrophobicContact CG-CB 4.46Å; Y326-H335 HydrophobicContact CE1-CB 4.37Å; Y326-H335 HydrophobicContact CE2-CB 3.79Å; Y326-H335 AromaticContact CE2-CD2 3.42Å; Y326-H335 VanDerWaalsContact CE2-CD2 3.42Å; Y326-H335 WeakPolarHBondContact CE2-CD2 3.47Å; Y326-H335 AromaticContact CE2-CG 3.67Å; Y326-H335 AromaticContact CZ-CD2 3.86Å; Y326-H335 AromaticContact CZ-CG 3.66Å
327G81.8Confident80.3Confident57 Ų5771.8 Ų71.859%0.58843%0.427SS*.SBendtrans-75.914174.500000115.6
328K82.4Confident79.6Confident123 Ų12377.2 Ų77.254%0.53545%0.446SS..SBendtrans-150.9131.8176.8-66.5-171.4-177.2-179.90110.9H315 Y326 S330 H331 L332H315-K328 VanDerWaalsContact CD2-C 3.4Å; Y326-K328 PolarHBondContact O-N 3.49Å; Y326-K328 VanDerWaalsContact O-N 3.11Å; K328-S330 VanDerWaalsContact C-N 3.25Å; K328-S330 PolarHBondContact O-N 3.36Å; K328-H331 HydrophobicContact CB-CB 4.4Å; K328-H331 PolarHBondContact O-N 3.46Å; K328-L332 PolarHBondContact O-N 2.91Å
329A80.2Confident79.4Confident54 Ų5471.7 Ų71.745%0.44642%0.421SS..Hα-helixtrans-56.1-36.5176.500000113.4H315 H331 L332 K333H315-A329 PolarHBondContact CD2-N 3.16Å; H315-A329 PolarHBondContact NE2-N 3.12Å; A329-H331 VanDerWaalsContact C-N 3.3Å; A329-H331 PolarHBondContact O-N 3.22Å; A329-L332 PolarHBondContact O-N 3.11Å; A329-K333 WeakPolarHBondContact O-CB 3.31Å; A329-K333 PolarHBondContact O-N 3.1Å
330S80.3Confident79Confident77 Ų7773.2 Ų73.254%0.53843%0.433SS..Hα-helixtrans-64-33177.154.70000113.1K328 A334K328-S330 VanDerWaalsContact C-N 3.25Å; K328-S330 PolarHBondContact O-N 3.36Å; S330-A334 WeakPolarHBondContact O-CB 3.41Å; S330-A334 PolarHBondContact O-N 3Å
331H82.2Confident79Confident88 Ų8870 Ų7041%0.40742%0.421SS..Hα-helixtrans-75-39.6176.7-66-168.3000111Y326 K328 A329 A334 H335Y326-H331 HydrophobicContact CD1-CB 3.7Å; Y326-H331 HydrophobicContact CG-CB 4.11Å; K328-H331 HydrophobicContact CB-CB 4.4Å; K328-H331 PolarHBondContact O-N 3.46Å; A329-H331 VanDerWaalsContact C-N 3.3Å; A329-H331 PolarHBondContact O-N 3.22Å; H331-A334 PolarHBondContact O-N 3.4Å; H331-H335 WeakPolarHBondContact O-CB 3.49Å; H331-H335 PolarHBondContact O-N 3.21Å
332L83.8Confident78.8Confident25 Ų2570.3 Ų70.313%0.13140%0.398CS..Hα-helixtrans-61.6-46.9170.9175.862.5000111H315 S316 C317 Y326 K328 A329 A334 H335 L336H315-L332 HydrophobicContact CB-CB 3.86Å; H315-L332 HydrophobicContact CB-CD2 3.74Å; H315-L332 HydrophobicContact CB-CG 4.4Å; S316-L332 VanDerWaalsContact O-CD2 3.3Å; S316-L332 WeakPolarHBondContact O-CD2 3.16Å; C317-L332 HydrophobicContact CB-CD1 4.08Å; Y326-L332 HydrophobicContact CD2-CB 4.12Å; Y326-L332 HydrophobicContact CD2-CD1 4.03Å; Y326-L332 HydrophobicContact CE2-CD1 4.36Å; Y326-L332 HydrophobicContact CG-CB 4.46Å; K328-L332 PolarHBondContact O-N 2.91Å; A329-L332 PolarHBondContact O-N 3.11Å; L332-A334 VanDerWaalsContact C-N 3.31Å; L332-A334 PolarHBondContact O-N 2.68Å; L332-H335 CarbonylContact O-C 3.59Å; L332-H335 WeakPolarHBondContact O-CA 3.49Å; L332-H335 WeakPolarHBondContact O-CB 3.11Å; L332-H335 PolarHBondContact O-N 2.97Å; L332-L336 HydrophobicContact CD1-CD1 4.19Å; L332-L336 HydrophobicContact CD1-CD2 4.37Å; L332-L336 HydrophobicContact CD1-CG 3.98Å; L332-L336 HydrophobicContact CD2-CD1 4.48Å; L332-L336 HydrophobicContact CG-CD1 3.97Å; L332-L336 HydrophobicContact CG-CG 4.24Å; L332-L336 WeakPolarHBondContact O-CG 3.3Å; L332-L336 PolarHBondContact O-N 3.18Å
333K80.5Confident78.4Confident141 Ų14174 Ų7461%0.61341%0.409SS*.Hα-helixtrans-61.6-38.4178.6-170.1168-175170.60112.2A329A329-K333 WeakPolarHBondContact O-CB 3.31Å; A329-K333 PolarHBondContact O-N 3.1Å
334A79.2Confident78.1Confident22 Ų2274 Ų7418%0.18240%0.397CS..Hα-helixtrans-68-32.4172.700000113.1S330 H331 L332 R358S330-A334 WeakPolarHBondContact O-CB 3.41Å; S330-A334 PolarHBondContact O-N 3Å; H331-A334 PolarHBondContact O-N 3.4Å; L332-A334 VanDerWaalsContact C-N 3.31Å; L332-A334 PolarHBondContact O-N 2.68Å; A334-R358 HydrophobicContact CB-CG 3.91Å
335H81.4Confident77.8Confident18 Ų1872.1 Ų72.18%0.08339%0.389CS..Hα-helixtrans-73.2-41.5175.2166.949000112.8C317 C322 Y326 H331 L332 R337 W338 H339C317-H335 PolarHBondContact SG-NE2 2.86Å; C322-H335 PolarHBondContact SG-CE1 2.77Å; C322-H335 PolarHBondContact SG-NE2 3.42Å; Y326-H335 HydrophobicContact CE1-CB 4.37Å; Y326-H335 HydrophobicContact CE2-CB 3.79Å; Y326-H335 AromaticContact CE2-CD2 3.42Å; Y326-H335 VanDerWaalsContact CE2-CD2 3.42Å; Y326-H335 WeakPolarHBondContact CE2-CD2 3.47Å; Y326-H335 AromaticContact CE2-CG 3.67Å; Y326-H335 AromaticContact CZ-CD2 3.86Å; Y326-H335 AromaticContact CZ-CG 3.66Å; H331-H335 WeakPolarHBondContact O-CB 3.49Å; H331-H335 PolarHBondContact O-N 3.21Å; L332-H335 CarbonylContact O-C 3.59Å; L332-H335 WeakPolarHBondContact O-CA 3.49Å; L332-H335 WeakPolarHBondContact O-CB 3.11Å; L332-H335 PolarHBondContact O-N 2.97Å; H335-R337 PolarHBondContact O-N 3.2Å; H335-W338 VanDerWaalsContact O-CB 3.3Å; H335-W338 WeakPolarHBondContact O-CB 3.26Å; H335-W338 PolarHBondContact O-N 3.06Å; H335-H339 AromaticContact CD2-NE2 3.79Å; H335-H339 AromaticContact CE1-CD2 3.53Å; H335-H339 AromaticContact CE1-NE2 2.66Å; H335-H339 PolarHBondContact CE1-NE2 2.89Å; H335-H339 AromaticContact ND1-NE2 3.9Å; H335-H339 AromaticContact NE2-CD2 3.65Å; H335-H339 AromaticContact NE2-NE2 2.52Å; H335-H339 PolarHBondContact NE2-NE2 3.26Å
336L79.6Confident77.3Confident57 Ų5770.7 Ų70.730%0.29838%0.381SS..Hα-helixtrans-58.6-30.3178.1-71.6169.9000112.1I319 L332 W338 H339 T340I319-L336 HydrophobicContact CD1-CD2 3.83Å; I319-L336 HydrophobicContact CG1-CD2 4.39Å; L332-L336 HydrophobicContact CD1-CD1 4.19Å; L332-L336 HydrophobicContact CD1-CD2 4.37Å; L332-L336 HydrophobicContact CD1-CG 3.98Å; L332-L336 HydrophobicContact CD2-CD1 4.48Å; L332-L336 HydrophobicContact CG-CD1 3.97Å; L332-L336 HydrophobicContact CG-CG 4.24Å; L332-L336 WeakPolarHBondContact O-CG 3.3Å; L332-L336 PolarHBondContact O-N 3.18Å; L336-W338 PolarHBondContact O-N 3.5Å; L336-H339 WeakPolarHBondContact O-CB 3.44Å; L336-H339 PolarHBondContact O-N 3.43Å; L336-T340 PolarHBondContact O-N 3.11Å; L336-T340 PolarHBondContact O-OG1 3.42Å
337R78.8Confident77.2Confident50 Ų5068.3 Ų68.319%0.18937%0.372CS..Hα-helixtrans-61.5-23.2172.1-70.6-174.7169.2160.1-1115.4H335 H339 T340 G341 E342 T357H335-R337 PolarHBondContact O-N 3.2Å; R337-H339 VanDerWaalsContact C-N 3.35Å; R337-T340 WeakPolarHBondContact CA-OG1 3.38Å; R337-G341 CarbonylContact O-C 3.58Å; R337-G341 WeakPolarHBondContact O-CA 3.38Å; R337-G341 PolarHBondContact O-N 2.66Å; R337-E342 HydrophobicContact CB-CB 4.09Å; R337-E342 HydrophobicContact CG-CB 3.81Å; R337-E342 IonicContact NE-OE2 3.29Å; R337-E342 PolarHBondContact NE-OE2 3.33Å; R337-E342 PolarHBondContact O-N 3.26Å; R337-T357 HydrophobicContact CB-CG2 4.39Å; R337-T357 PolarHBondContact NH1-O 2.8Å; R337-T357 VanDerWaalsContact NH1-O 3.08Å
338W71.6Confident76.9Confident123 Ų12373.4 Ų73.447%0.46639%0.385SS..Hα-helixtrans-70.7-35171.5-179.773.6000111.2H335 L336 S425H335-W338 VanDerWaalsContact O-CB 3.3Å; H335-W338 WeakPolarHBondContact O-CB 3.26Å; H335-W338 PolarHBondContact O-N 3.06Å; L336-W338 PolarHBondContact O-N 3.5Å; W338-S425 PolarHBondContact NE1-O 3.1Å
339H75.1Confident76.6Confident68 Ų6873.5 Ų73.532%0.31538%0.383SS..Hα-helixtrans-78.7-35175.8-67.1-83000113.2C317 I319 C322 H335 L336 R337C317-H339 PolarHBondContact SG-NE2 3.39Å; I319-H339 HydrophobicContact CD1-CB 3.43Å; I319-H339 VanDerWaalsContact CD1-CB 3.43Å; I319-H339 VanDerWaalsContact CD1-CG 3.45Å; C322-H339 WeakPolarHBondContact CB-CE1 3.2Å; C322-H339 WeakPolarHBondContact CB-NE2 3.32Å; C322-H339 PolarHBondContact SG-CE1 3.31Å; C322-H339 PolarHBondContact SG-NE2 3.21Å; H335-H339 AromaticContact CD2-NE2 3.79Å; H335-H339 AromaticContact CE1-CD2 3.53Å; H335-H339 AromaticContact CE1-NE2 2.66Å; H335-H339 PolarHBondContact CE1-NE2 2.89Å; H335-H339 AromaticContact ND1-NE2 3.9Å; H335-H339 AromaticContact NE2-CD2 3.65Å; H335-H339 AromaticContact NE2-NE2 2.52Å; H335-H339 PolarHBondContact NE2-NE2 3.26Å; L336-H339 WeakPolarHBondContact O-CB 3.44Å; L336-H339 PolarHBondContact O-N 3.43Å; R337-H339 VanDerWaalsContact C-N 3.35Å
340T72.5Confident76Confident88 Ų8878.3 Ų78.354%0.5440%0.4SS..Hα-helixtrans-86.7-4.6177.964.20000114.1L336 R337 E342L336-T340 PolarHBondContact O-N 3.11Å; L336-T340 PolarHBondContact O-OG1 3.42Å; R337-T340 WeakPolarHBondContact CA-OG1 3.38Å; T340-E342 PolarHBondContact O-N 2.92Å
341G67.9Low75.5Confident53 Ų5383.4 Ų83.455%0.54641%0.413SS..  trans69.14.2-175.800000115.1R337 R343R337-G341 CarbonylContact O-C 3.58Å; R337-G341 WeakPolarHBondContact O-CA 3.38Å; R337-G341 PolarHBondContact O-N 2.66Å; G341-R343 PolarHBondContact O-N 2.99Å; G341-R343 VanDerWaalsContact O-N 3.1Å
342E68.3Low75.4Confident102 Ų10280.6 Ų80.648%0.47740%0.403SS..  trans-63.4108.7-178.3-86.2-176.4-155.100112.5R337 T340 P344R337-E342 HydrophobicContact CB-CB 4.09Å; R337-E342 HydrophobicContact CG-CB 3.81Å; R337-E342 IonicContact NE-OE2 3.29Å; R337-E342 PolarHBondContact NE-OE2 3.33Å; R337-E342 PolarHBondContact O-N 3.26Å; T340-E342 PolarHBondContact O-N 2.92Å; E342-P344 WeakPolarHBondContact O-CD 3.35Å
343R70.3Confident74.6Confident96 Ų9681.5 Ų81.536%0.36242%0.418SS..  trans-115.871.8175.4-61.817181.7134.92.2110.8G341 F345 R355 F356 T357G341-R343 PolarHBondContact O-N 2.99Å; G341-R343 VanDerWaalsContact O-N 3.1Å; R343-F345 VanDerWaalsContact C-N 3.35Å; R343-F345 PolarHBondContact O-N 3.03Å; R343-R355 HydrophobicContact CB-CB 3.6Å; R343-R355 VanDerWaalsContact CZ-O 3.26Å; R343-R355 PolarHBondContact NE-O 3.39Å; R343-R355 PolarHBondContact NH2-O 3.41Å; R343-R355 PolarHBondContact O-NE 3.03Å; R343-F356 CarbonylContact C-O 3.59Å; R343-F356 VanDerWaalsContact C-O 3.3Å; R343-F356 VanDerWaalsContact CA-O 3.31Å; R343-F356 WeakPolarHBondContact CA-O 3.49Å; R343-T357 HydrophobicContact CG-CG2 4.14Å
344P73.2Confident74.4Confident64 Ų6480.2 Ų80.242%0.41641%0.412SS..  trans-76.4-16.8-171.230.8-36.4000114.2E342E342-P344 WeakPolarHBondContact O-CD 3.35Å
345F75.1Confident74.5Confident63 Ų6386 Ų8628%0.27643%0.429SS..EExtended strand (participates in β ladder)trans-93.1107.6-179.6-60.4-74.3000109.9R343 R355 F356 T357 R358 L362R343-F345 VanDerWaalsContact C-N 3.35Å; R343-F345 PolarHBondContact O-N 3.03Å; F345-R355 CarbonylContact O-C 3.39Å; F345-R355 WeakPolarHBondContact O-CA 3.41Å; F345-F356 HydrophobicContact CB-CB 4.23Å; F345-F356 PolarHBondContact N-O 3.35Å; F345-F356 PolarHBondContact O-N 3.22Å; F345-T357 WeakPolarHBondContact CE2-O 3.46Å; F345-R358 VanDerWaalsContact CE2-C 3.44Å; F345-L362 HydrophobicContact CB-CB 4Å; F345-L362 HydrophobicContact CB-CD2 3.87Å
346V75.1Confident74.4Confident62 Ų6286.2 Ų86.238%0.37643%0.43SS..EExtended strand (participates in β ladder)trans-103.6139.1-176.1-1730000110.7N348 R355 L362V346-N348 PolarHBondContact O-N 3.41Å; V346-R355 HydrophobicContact CG1-CG 4.35Å; V346-R355 HydrophobicContact CG2-CG 4.08Å; V346-L362 WeakPolarHBondContact O-CD2 3.34Å
347C82.5Confident74.1Confident4 Ų484.9 Ų84.93%0.02742%0.424CS..  trans-71.3108.1169-169.90000110.1W349 C352 K354 F356 L362 H365 H369C347-W349 PolarHBondContact O-N 2.72Å; C347-C352 HydrophobicContact CB-CB 4.46Å; C347-K354 HydrophobicContact CB-CB 4.49Å; C347-K354 WeakPolarHBondContact CB-O 3.46Å; C347-K354 PolarHBondContact N-O 3.41Å; C347-F356 HydrophobicContact CB-CE2 4.46Å; C347-L362 HydrophobicContact CB-CD1 4.03Å; C347-H365 PolarHBondContact SG-NE2 3.42Å; C347-H365 VanDerWaalsContact SG-NE2 3.37Å; C347-H369 PolarHBondContact SG-NE2 3.48Å; C347-H369 VanDerWaalsContact SG-NE2 3.36Å
348N75.9Confident74Confident163 Ų16387.7 Ų87.787%0.87244%0.435SS*.  trans-7519.9178.5-153.168.9000113.7V346V346-N348 PolarHBondContact O-N 3.41Å
349W75.1Confident74.3Confident125 Ų12585.3 Ų85.347%0.47344%0.437SS..  trans-86.6122.3172.7-164.8-79.4000108.4C347 F351 C352 H369C347-W349 PolarHBondContact O-N 2.72Å; W349-F351 VanDerWaalsContact C-N 3.27Å; W349-F351 PolarHBondContact O-N 2.85Å; W349-F351 VanDerWaalsContact O-N 3.08Å; W349-C352 HydrophobicContact CB-CB 3.94Å; W349-C352 HydrophobicContact CG-CB 4.48Å; W349-C352 WeakPolarHBondContact O-CB 3.35Å; W349-C352 PolarHBondContact O-N 2.98Å; W349-H369 HydrophobicContact CD2-CB 3.9Å; W349-H369 AromaticContact CD2-CD2 3.91Å; W349-H369 AromaticContact CD2-CG 3.74Å; W349-H369 HydrophobicContact CE3-CB 3.67Å; W349-H369 AromaticContact CE3-CD2 3.96Å; W349-H369 AromaticContact CE3-CG 3.89Å; W349-H369 AromaticContact CG-CD2 3.89Å; W349-H369 HydrophobicContact CH2-CB 3.91Å; W349-H369 HydrophobicContact CZ2-CB 4.12Å; W349-H369 HydrophobicContact CZ3-CB 3.68Å
350L68Low74.5Confident155 Ų15584.9 Ų84.981%0.81244%0.437SS*.THydrogen-bonded Turntrans-51.2-41.6-163.2-171.364.9000114.2
351F70.4Confident74.9Confident185 Ų18582.9 Ų82.981%0.81142%0.422SS*.THydrogen-bonded Turntrans-927.3-178.6-54.8-74.1000114.6W349W349-F351 VanDerWaalsContact C-N 3.27Å; W349-F351 PolarHBondContact O-N 2.85Å; W349-F351 VanDerWaalsContact O-N 3.08Å
352C79.1Confident75.6Confident29 Ų2981.9 Ų81.920%0.19640%0.404CS..THydrogen-bonded Turntrans-110.8-52.5-171.1-162.20000114.3C347 W349 K354 H365 H369C347-C352 HydrophobicContact CB-CB 4.46Å; W349-C352 HydrophobicContact CB-CB 3.94Å; W349-C352 HydrophobicContact CG-CB 4.48Å; W349-C352 WeakPolarHBondContact O-CB 3.35Å; W349-C352 PolarHBondContact O-N 2.98Å; C352-K354 PolarHBondContact O-N 3.2Å; C352-H365 VanDerWaalsContact SG-CE1 3.58Å; C352-H365 PolarHBondContact SG-NE2 3.21Å; C352-H369 PolarHBondContact SG-CE1 2.74Å
353G68.1Low76.2Confident43 Ų4382.3 Ų82.344%0.44341%0.405SS..  trans59.1-3.1177.500000117.5R355G353-R355 WeakPolarHBondContact O-CG 3.38Å; G353-R355 PolarHBondContact O-N 3.21Å
354K76.1Confident76.6Confident114 Ų11481.8 Ų81.850%0.49640%0.404SS..  trans-59.6129.2-171.8-69.8-171.5-179.7-165.60111.3C347 C352 F356C347-K354 HydrophobicContact CB-CB 4.49Å; C347-K354 WeakPolarHBondContact CB-O 3.46Å; C347-K354 PolarHBondContact N-O 3.41Å; C352-K354 PolarHBondContact O-N 3.2Å; K354-F356 HydrophobicContact CB-CE2 3.8Å; K354-F356 HydrophobicContact CB-CZ 3.7Å; K354-F356 VanDerWaalsContact O-CE2 3.25Å; K354-F356 WeakPolarHBondContact O-CE2 3.29Å
355R79.8Confident77.1Confident144 Ų14480 Ų8054%0.54339%0.389SS..EExtended strand (participates in β ladder)trans-106.3142.9-176.3-45.8-175.775.4160.39.6110.8R343 F345 V346 G353R343-R355 HydrophobicContact CB-CB 3.6Å; R343-R355 VanDerWaalsContact CZ-O 3.26Å; R343-R355 PolarHBondContact NE-O 3.39Å; R343-R355 PolarHBondContact NH2-O 3.41Å; R343-R355 PolarHBondContact O-NE 3.03Å; F345-R355 CarbonylContact O-C 3.39Å; F345-R355 WeakPolarHBondContact O-CA 3.41Å; V346-R355 HydrophobicContact CG1-CG 4.35Å; V346-R355 HydrophobicContact CG2-CG 4.08Å; G353-R355 WeakPolarHBondContact O-CG 3.38Å; G353-R355 PolarHBondContact O-N 3.21Å
356F79.3Confident77.3Confident23 Ų2379.8 Ų79.810%0.10139%0.393CS..EExtended strand (participates in β ladder)trans-132.7154.9-172.4-59.1-76.7000112R343 F345 C347 K354 E361 L362 H365R343-F356 CarbonylContact C-O 3.59Å; R343-F356 VanDerWaalsContact C-O 3.3Å; R343-F356 VanDerWaalsContact CA-O 3.31Å; R343-F356 WeakPolarHBondContact CA-O 3.49Å; F345-F356 HydrophobicContact CB-CB 4.23Å; F345-F356 PolarHBondContact N-O 3.35Å; F345-F356 PolarHBondContact O-N 3.22Å; C347-F356 HydrophobicContact CB-CE2 4.46Å; K354-F356 HydrophobicContact CB-CE2 3.8Å; K354-F356 HydrophobicContact CB-CZ 3.7Å; K354-F356 VanDerWaalsContact O-CE2 3.25Å; K354-F356 WeakPolarHBondContact O-CE2 3.29Å; F356-E361 HydrophobicContact CB-CB 4.16Å; F356-E361 HydrophobicContact CB-CG 4.18Å; F356-E361 WeakPolarHBondContact CB-OE2 3.41Å; F356-E361 HydrophobicContact CD1-CB 4.31Å; F356-E361 HydrophobicContact CD1-CG 3.52Å; F356-E361 HydrophobicContact CE1-CG 4.26Å; F356-E361 HydrophobicContact CG-CB 4.42Å; F356-E361 HydrophobicContact CG-CG 4.1Å; F356-L362 HydrophobicContact CB-CB 4.45Å; F356-L362 HydrophobicContact CD2-CB 3.94Å; F356-L362 HydrophobicContact CD2-CD1 3.98Å; F356-L362 HydrophobicContact CE2-CD1 4.15Å; F356-L362 HydrophobicContact CG-CB 4.44Å; F356-H365 HydrophobicContact CE1-CB 4.31Å; F356-H365 HydrophobicContact CE2-CB 3.98Å; F356-H365 AromaticContact CE2-CD2 3.34Å; F356-H365 WeakPolarHBondContact CE2-CD2 3.42Å; F356-H365 AromaticContact CE2-CG 3.8Å; F356-H365 HydrophobicContact CZ-CB 3.64Å; F356-H365 AromaticContact CZ-CD2 3.41Å; F356-H365 VanDerWaalsContact CZ-CD2 3.41Å; F356-H365 WeakPolarHBondContact CZ-CD2 3.39Å; F356-H365 AromaticContact CZ-CG 3.45Å; F356-H365 VanDerWaalsContact CZ-CG 3.45Å
357T74.3Confident77.4Confident29 Ų2981.7 Ų81.718%0.17839%0.394CS..SBendtrans-83.5-22.5-179.3620000112.2R337 R343 F345 E361R337-T357 HydrophobicContact CB-CG2 4.39Å; R337-T357 PolarHBondContact NH1-O 2.8Å; R337-T357 VanDerWaalsContact NH1-O 3.08Å; R343-T357 HydrophobicContact CG-CG2 4.14Å; F345-T357 WeakPolarHBondContact CE2-O 3.46Å; T357-E361 PolarHBondContact N-OE2 2.94Å; T357-E361 PolarHBondContact OG1-OE2 3.46Å
358R76.9Confident77.1Confident109 Ų10985 Ų8541%0.41141%0.414SS..SBendtrans-131.4152.1-172.9-69.1167.554.8155.6-8.6112.8A334 F345 D360 E361 L362A334-R358 HydrophobicContact CB-CG 3.91Å; F345-R358 VanDerWaalsContact CE2-C 3.44Å; R358-D360 WeakPolarHBondContact CB-OD1 3.39Å; R358-D360 IonicContact CZ-OD1 3.34Å; R358-D360 VanDerWaalsContact CZ-OD1 3.29Å; R358-D360 IonicContact CZ-OD2 3.21Å; R358-D360 IonicContact NE-OD1 3.77Å; R358-D360 PolarHBondContact NE-OD1 2.89Å; R358-D360 IonicContact NE-OD2 2.65Å; R358-D360 IonicContact NH2-OD1 3.58Å; R358-D360 PolarHBondContact NH2-OD1 2.78Å; R358-D360 IonicContact NH2-OD2 3.4Å; R358-D360 PolarHBondContact NH2-OD2 3.33Å; R358-E361 HydrophobicContact CB-CB 4.02Å; R358-E361 WeakPolarHBondContact O-CB 3.49Å; R358-E361 PolarHBondContact O-N 3.42Å; R358-L362 PolarHBondContact O-N 3.32Å
359S78.4Confident77Confident72 Ų7279.5 Ų79.550%0.50338%0.383SS..Hα-helixtrans-72.5-40.2178.946.60000113.2E361 L362 E363S359-E361 PolarHBondContact O-N 3.09Å; S359-L362 PolarHBondContact O-N 3.32Å; S359-E363 PolarHBondContact O-N 3.02Å
360D79.3Confident76.8Confident60 Ų6076.7 Ų76.732%0.32138%0.38SS..Hα-helixtrans-66-17175.570.2-78.2000113.1R358 R364R358-D360 WeakPolarHBondContact CB-OD1 3.39Å; R358-D360 IonicContact CZ-OD1 3.34Å; R358-D360 VanDerWaalsContact CZ-OD1 3.29Å; R358-D360 IonicContact CZ-OD2 3.21Å; R358-D360 IonicContact NE-OD1 3.77Å; R358-D360 PolarHBondContact NE-OD1 2.89Å; R358-D360 IonicContact NE-OD2 2.65Å; R358-D360 IonicContact NH2-OD1 3.58Å; R358-D360 PolarHBondContact NH2-OD1 2.78Å; R358-D360 IonicContact NH2-OD2 3.4Å; R358-D360 PolarHBondContact NH2-OD2 3.33Å; D360-R364 VanDerWaalsContact O-CB 3.26Å; D360-R364 WeakPolarHBondContact O-CB 3.34Å; D360-R364 PolarHBondContact O-N 2.83Å; D360-R364 PolarHBondContact O-NH2 3.26Å; D360-R364 IonicContact OD2-NH2 3.33Å; D360-R364 PolarHBondContact OD2-NH2 3.5Å
361E79.8Confident76.6Confident46 Ų4679.3 Ų79.322%0.21538%0.379CS..Hα-helixtrans-81.5-47.1174.9-164.7-177.9-156.200111.1F356 T357 R358 S359 H365F356-E361 HydrophobicContact CB-CB 4.16Å; F356-E361 HydrophobicContact CB-CG 4.18Å; F356-E361 WeakPolarHBondContact CB-OE2 3.41Å; F356-E361 HydrophobicContact CD1-CB 4.31Å; F356-E361 HydrophobicContact CD1-CG 3.52Å; F356-E361 HydrophobicContact CE1-CG 4.26Å; F356-E361 HydrophobicContact CG-CB 4.42Å; F356-E361 HydrophobicContact CG-CG 4.1Å; T357-E361 PolarHBondContact N-OE2 2.94Å; T357-E361 PolarHBondContact OG1-OE2 3.46Å; R358-E361 HydrophobicContact CB-CB 4.02Å; R358-E361 WeakPolarHBondContact O-CB 3.49Å; R358-E361 PolarHBondContact O-N 3.42Å; S359-E361 PolarHBondContact O-N 3.09Å; E361-H365 WeakPolarHBondContact O-CB 3.12Å; E361-H365 PolarHBondContact O-N 3.42Å
362L82.6Confident76.2Confident32 Ų3274.5 Ų74.517%0.16836%0.359CS..Hα-helixtrans-59.6-47.6170.6171.360000111.8F345 V346 C347 F356 R358 S359 R364 H365 V366F345-L362 HydrophobicContact CB-CB 4Å; F345-L362 HydrophobicContact CB-CD2 3.87Å; V346-L362 WeakPolarHBondContact O-CD2 3.34Å; C347-L362 HydrophobicContact CB-CD1 4.03Å; F356-L362 HydrophobicContact CB-CB 4.45Å; F356-L362 HydrophobicContact CD2-CB 3.94Å; F356-L362 HydrophobicContact CD2-CD1 3.98Å; F356-L362 HydrophobicContact CE2-CD1 4.15Å; F356-L362 HydrophobicContact CG-CB 4.44Å; R358-L362 PolarHBondContact O-N 3.32Å; S359-L362 PolarHBondContact O-N 3.32Å; L362-R364 PolarHBondContact O-N 3.22Å; L362-H365 CarbonylContact O-C 3.55Å; L362-H365 WeakPolarHBondContact O-CB 3.41Å; L362-H365 PolarHBondContact O-N 3.1Å; L362-H365 VanDerWaalsContact O-N 3.11Å; L362-V366 HydrophobicContact CD1-CG2 3.92Å; L362-V366 HydrophobicContact CG-CG2 4.45Å; L362-V366 WeakPolarHBondContact O-CG2 3.36Å; L362-V366 PolarHBondContact O-N 3.39Å
363E80.3Confident75.6Confident110 Ų11076.5 Ų76.551%0.51436%0.364SS..Hα-helixtrans-62-43.3-178.1-161.7-153.2163.100111.7S359 H365 V366 R367S359-E363 PolarHBondContact O-N 3.02Å; E363-H365 VanDerWaalsContact C-N 3.28Å; E363-H365 PolarHBondContact O-N 3.03Å; E363-V366 PolarHBondContact O-N 3.17Å; E363-R367 WeakPolarHBondContact O-CG 3.29Å; E363-R367 PolarHBondContact O-N 3.34Å; E363-R367 IonicContact OE1-CZ 2.92Å; E363-R367 IonicContact OE1-NE 2.8Å; E363-R367 IonicContact OE1-NH2 3.66Å; E363-R367 PolarHBondContact OE1-NH2 3.07Å; E363-R367 IonicContact OE2-NH2 2.82Å; E363-R367 PolarHBondContact OE2-NH2 2.89Å
364R79.1Confident75.9Confident86 Ų8680.8 Ų80.833%0.32537%0.371SS..Hα-helixtrans-61.9-37.3174.6-167-163.2-33.9112.74.8111.9D360 L362D360-R364 VanDerWaalsContact O-CB 3.26Å; D360-R364 WeakPolarHBondContact O-CB 3.34Å; D360-R364 PolarHBondContact O-N 2.83Å; D360-R364 PolarHBondContact O-NH2 3.26Å; D360-R364 IonicContact OD2-NH2 3.33Å; D360-R364 PolarHBondContact OD2-NH2 3.5Å; L362-R364 PolarHBondContact O-N 3.22Å
365H83.3Confident75.9Confident25 Ų2578.8 Ų78.812%0.11636%0.362CS..Hα-helixtrans-71.4-40.1176.4169.352.1000112.7C347 C352 F356 E361 L362 E363 R367 T368 H369C347-H365 PolarHBondContact SG-NE2 3.42Å; C347-H365 VanDerWaalsContact SG-NE2 3.37Å; C352-H365 VanDerWaalsContact SG-CE1 3.58Å; C352-H365 PolarHBondContact SG-NE2 3.21Å; F356-H365 HydrophobicContact CE1-CB 4.31Å; F356-H365 HydrophobicContact CE2-CB 3.98Å; F356-H365 AromaticContact CE2-CD2 3.34Å; F356-H365 WeakPolarHBondContact CE2-CD2 3.42Å; F356-H365 AromaticContact CE2-CG 3.8Å; F356-H365 HydrophobicContact CZ-CB 3.64Å; F356-H365 AromaticContact CZ-CD2 3.41Å; F356-H365 VanDerWaalsContact CZ-CD2 3.41Å; F356-H365 WeakPolarHBondContact CZ-CD2 3.39Å; F356-H365 AromaticContact CZ-CG 3.45Å; F356-H365 VanDerWaalsContact CZ-CG 3.45Å; E361-H365 WeakPolarHBondContact O-CB 3.12Å; E361-H365 PolarHBondContact O-N 3.42Å; L362-H365 CarbonylContact O-C 3.55Å; L362-H365 WeakPolarHBondContact O-CB 3.41Å; L362-H365 PolarHBondContact O-N 3.1Å; L362-H365 VanDerWaalsContact O-N 3.11Å; E363-H365 VanDerWaalsContact C-N 3.28Å; E363-H365 PolarHBondContact O-N 3.03Å; H365-R367 PolarHBondContact O-N 3.34Å; H365-R367 VanDerWaalsContact O-N 3.16Å; H365-T368 PolarHBondContact ND1-OG1 3.4Å; H365-T368 WeakPolarHBondContact O-CB 3.39Å; H365-T368 PolarHBondContact O-N 3.18Å; H365-T368 PolarHBondContact O-OG1 3.2Å; H365-H369 AromaticContact CE1-CE1 3.73Å; H365-H369 AromaticContact CE1-NE2 3.36Å; H365-H369 PolarHBondContact CE1-NE2 3.25Å; H365-H369 AromaticContact NE2-CE1 3.93Å; H365-H369 AromaticContact NE2-NE2 3.21Å; H365-H369 PolarHBondContact NE2-NE2 3.3Å
366V79.1Confident75.9Confident59 Ų5974.6 Ų74.636%0.35835%0.352SS..Hα-helixtrans-58.3-33.2177.4169.90000111.5L362 E363 T368 H369L362-V366 HydrophobicContact CD1-CG2 3.92Å; L362-V366 HydrophobicContact CG-CG2 4.45Å; L362-V366 WeakPolarHBondContact O-CG2 3.36Å; L362-V366 PolarHBondContact O-N 3.39Å; E363-V366 PolarHBondContact O-N 3.17Å; V366-T368 PolarHBondContact O-N 3.36Å; V366-H369 PolarHBondContact O-N 2.94Å; V366-H369 VanDerWaalsContact O-N 3.13Å
367R77.4Confident76.2Confident102 Ų10273.5 Ų73.539%0.38535%0.348SS..Hα-helixtrans-65.7-11.8173.5-59.8169.8-167.7171.41.4114.6E363 H365 T370E363-R367 WeakPolarHBondContact O-CG 3.29Å; E363-R367 PolarHBondContact O-N 3.34Å; E363-R367 IonicContact OE1-CZ 2.92Å; E363-R367 IonicContact OE1-NE 2.8Å; E363-R367 IonicContact OE1-NH2 3.66Å; E363-R367 PolarHBondContact OE1-NH2 3.07Å; E363-R367 IonicContact OE2-NH2 2.82Å; E363-R367 PolarHBondContact OE2-NH2 2.89Å; H365-R367 PolarHBondContact O-N 3.34Å; H365-R367 VanDerWaalsContact O-N 3.16Å; R367-T370 PolarHBondContact O-OG1 2.84Å
368T76.1Confident76.6Confident73 Ų7379.2 Ų79.245%0.44838%0.376SS..Hα-helixtrans-77.8-31.3171.668.90000111.7H365 V366 R371H365-T368 PolarHBondContact ND1-OG1 3.4Å; H365-T368 WeakPolarHBondContact O-CB 3.39Å; H365-T368 PolarHBondContact O-N 3.18Å; H365-T368 PolarHBondContact O-OG1 3.2Å; V366-T368 PolarHBondContact O-N 3.36Å; T368-R371 PolarHBondContact O-N 3.08Å
369H75.1Confident76.8Confident49 Ų4980 Ų8023%0.22739%0.388CS..Hα-helixtrans-69.9-38.7176.7-61.3-51.1000112C347 W349 C352 H365 V366 R371C347-H369 PolarHBondContact SG-NE2 3.48Å; C347-H369 VanDerWaalsContact SG-NE2 3.36Å; W349-H369 HydrophobicContact CD2-CB 3.9Å; W349-H369 AromaticContact CD2-CD2 3.91Å; W349-H369 AromaticContact CD2-CG 3.74Å; W349-H369 HydrophobicContact CE3-CB 3.67Å; W349-H369 AromaticContact CE3-CD2 3.96Å; W349-H369 AromaticContact CE3-CG 3.89Å; W349-H369 AromaticContact CG-CD2 3.89Å; W349-H369 HydrophobicContact CH2-CB 3.91Å; W349-H369 HydrophobicContact CZ2-CB 4.12Å; W349-H369 HydrophobicContact CZ3-CB 3.68Å; C352-H369 PolarHBondContact SG-CE1 2.74Å; H365-H369 AromaticContact CE1-CE1 3.73Å; H365-H369 AromaticContact CE1-NE2 3.36Å; H365-H369 PolarHBondContact CE1-NE2 3.25Å; H365-H369 AromaticContact NE2-CE1 3.93Å; H365-H369 AromaticContact NE2-NE2 3.21Å; H365-H369 PolarHBondContact NE2-NE2 3.3Å; V366-H369 PolarHBondContact O-N 2.94Å; V366-H369 VanDerWaalsContact O-N 3.13Å; H369-R371 VanDerWaalsContact C-N 3.27Å; H369-R371 PolarHBondContact O-N 2.65Å
370T70.4Confident77.1Confident66 Ų6678.7 Ų78.741%0.40538%0.379SS..SBendtrans-76.9-9178.464.70000114.1R367 E372R367-T370 PolarHBondContact O-OG1 2.84Å; T370-E372 PolarHBondContact O-N 2.82Å; T370-E372 WeakPolarHBondContact OG1-CG 3.46Å; T370-E372 PolarHBondContact OG1-OE2 2.91Å
371R64.3Low77.2Confident210 Ų21081.5 Ų81.579%0.79239%0.393SS*.  trans52.717.6-178-63-172.5172.3-148.5-1.1115.7T368 H369 K373T368-R371 PolarHBondContact O-N 3.08Å; H369-R371 VanDerWaalsContact C-N 3.27Å; H369-R371 PolarHBondContact O-N 2.65Å; R371-K373 PolarHBondContact O-N 3.04Å
372E60.5Low77.2Confident83 Ų8385.5 Ų85.539%0.38841%0.41SS..  trans-7089.2-171.4-70-178.5114.800113.3T370 K374T370-E372 PolarHBondContact O-N 2.82Å; T370-E372 WeakPolarHBondContact OG1-CG 3.46Å; T370-E372 PolarHBondContact OG1-OE2 2.91Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 HydrophobicContact CB-CD 4.17Å; E372-K374 HydrophobicContact CB-CG 4.22Å; E372-K374 VanDerWaalsContact CD-CE 3.43Å; E372-K374 PolarHBondContact O-N 2.92Å; E372-K374 WeakPolarHBondContact OE1-CE 3.48Å; E372-K374 IonicContact OE1-NZ 3.61Å; E372-K374 PolarHBondContact OE1-NZ 2.8Å; E372-K374 IonicContact OE2-NZ 2.66Å; E372-K374 PolarHBondContact OE2-NZ 3.15Å
373K67.3Low77.1Confident71 Ų7191.2 Ų91.231%0.30943%0.43SS..  trans-72.278.3171.3-66.3174.8177.4173.20110.9R371 R383 F384 T385R371-K373 PolarHBondContact O-N 3.04Å; K373-R383 HydrophobicContact CB-CB 3.82Å; K373-R383 HydrophobicContact CD-CB 4.24Å; K373-R383 PolarHBondContact O-NE 3.33Å; K373-R383 PolarHBondContact O-NH2 3.19Å; K373-F384 CarbonylContact C-O 3.49Å; K373-F384 WeakPolarHBondContact CA-O 3.3Å; K373-T385 HydrophobicContact CG-CG2 3.88Å
374K74.4Confident77.1Confident134 Ų13488.1 Ų88.158%0.58341%0.414SS*.  trans-82.3-14.3-176-80.3169.5172.9162.20115.4E372 F384E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 HydrophobicContact CB-CD 4.17Å; E372-K374 HydrophobicContact CB-CG 4.22Å; E372-K374 VanDerWaalsContact CD-CE 3.43Å; E372-K374 PolarHBondContact O-N 2.92Å; E372-K374 WeakPolarHBondContact OE1-CE 3.48Å; E372-K374 IonicContact OE1-NZ 3.61Å; E372-K374 PolarHBondContact OE1-NZ 2.8Å; E372-K374 IonicContact OE2-NZ 2.66Å; E372-K374 PolarHBondContact OE2-NZ 3.15Å; K374-F384 PolarHBondContact N-O 3.37Å
375F75.3Confident77Confident71 Ų7186.2 Ų86.231%0.31141%0.412SS..EExtended strand (participates in β ladder)trans-112.5106.8-173.4-59.7-79.7000111.3F384 R386 L390F375-F384 HydrophobicContact CB-CB 4.3Å; F375-F384 PolarHBondContact N-O 3.42Å; F375-F384 PolarHBondContact O-N 2.87Å; F375-R386 VanDerWaalsContact CD2-C 3.46Å; F375-L390 HydrophobicContact CB-CB 4.18Å; F375-L390 HydrophobicContact CB-CD2 3.85Å
376T81.2Confident76.7Confident56 Ų5688.7 Ų88.734%0.34442%0.421SS..EExtended strand (participates in β ladder)trans-100.6136.4-177.9-53.20000111.6R383T376-R383 HydrophobicContact CG2-CG 4.17Å
377C85.2Confident76.8Confident0 Ų089.3 Ų89.30%043%0.427CS..  trans-82.6115.4172-170.30000111.1L379 C380 N381 K382 F384 L390C377-L379 PolarHBondContact O-N 2.38Å; C377-L379 VanDerWaalsContact O-N 3.09Å; C377-C380 PolarHBondContact O-N 2.52Å; C377-N381 WeakPolarHBondContact O-CA 3.34Å; C377-N381 PolarHBondContact O-N 2.91Å; C377-K382 PolarHBondContact N-O 2.91Å; C377-F384 HydrophobicContact CB-CE2 4.29Å; C377-L390 HydrophobicContact CB-CD1 3.53Å
378L81.5Confident77.1Confident150 Ų15087.5 Ų87.579%0.78543%0.425SS*.THydrogen-bonded Turntrans-65.6-12.8-176.8-57.1179.3000114.6
379L82.1Confident77.5Confident125 Ų12587.7 Ų87.765%0.65442%0.421SS*.THydrogen-bonded Turntrans-89.9-21.8-178.4-62.1173.8000113.8C377 H397C377-L379 PolarHBondContact O-N 2.38Å; C377-L379 VanDerWaalsContact O-N 3.09Å; L379-H397 HydrophobicContact CD1-CB 3.57Å
380C85.4Confident78Confident45 Ų4586.3 Ų86.330%0.30442%0.415SS..THydrogen-bonded Turntrans-150.713.4-178.367.90000114.2C377 K382 H393 H397C377-C380 PolarHBondContact O-N 2.52Å; C380-K382 PolarHBondContact O-N 2.87Å; C380-H393 PolarHBondContact SG-NE2 2.66Å; C380-H397 PolarHBondContact SG-CE1 3.19Å; C380-H397 PolarHBondContact SG-NE2 3.48Å; C380-H397 VanDerWaalsContact SG-NE2 3.36Å
381N81Confident78.7Confident118 Ų11886 Ų8663%0.63142%0.416SS*.  trans52.77.7-179-65.4-41.6000117.7C377 R383C377-N381 WeakPolarHBondContact O-CA 3.34Å; C377-N381 PolarHBondContact O-N 2.91Å; N381-R383 WeakPolarHBondContact O-CG 3.26Å; N381-R383 PolarHBondContact O-N 2.82Å
382K79.1Confident79.8Confident130 Ų13082.3 Ų82.357%0.56541%0.405SS*.  trans-60.6133.2173.9-68.5-174.6-171.6-670110.8C377 C380 F384C377-K382 PolarHBondContact N-O 2.91Å; C380-K382 PolarHBondContact O-N 2.87Å; K382-F384 HydrophobicContact CB-CE2 3.99Å; K382-F384 HydrophobicContact CB-CZ 4.18Å; K382-F384 WeakPolarHBondContact O-CE2 3.06Å
383R80.4Confident81Confident153 Ų15379.8 Ų79.858%0.57739%0.394SS*.EExtended strand (participates in β ladder)trans-109.1132.1-171.9-56.8179.358.3-178.7-1.8112K373 T376 N381K373-R383 HydrophobicContact CB-CB 3.82Å; K373-R383 HydrophobicContact CD-CB 4.24Å; K373-R383 PolarHBondContact O-NE 3.33Å; K373-R383 PolarHBondContact O-NH2 3.19Å; T376-R383 HydrophobicContact CG2-CG 4.17Å; N381-R383 WeakPolarHBondContact O-CG 3.26Å; N381-R383 PolarHBondContact O-N 2.82Å
384F80.3Confident81.8Confident44 Ų4480.6 Ų80.619%0.19340%0.399CS..EExtended strand (participates in β ladder)trans-120.1149.3-175.3-58.4-91.3000111.3K373 K374 F375 C377 K382 R386 H389 L390 H393K373-F384 CarbonylContact C-O 3.49Å; K373-F384 WeakPolarHBondContact CA-O 3.3Å; K374-F384 PolarHBondContact N-O 3.37Å; F375-F384 HydrophobicContact CB-CB 4.3Å; F375-F384 PolarHBondContact N-O 3.42Å; F375-F384 PolarHBondContact O-N 2.87Å; C377-F384 HydrophobicContact CB-CE2 4.29Å; K382-F384 HydrophobicContact CB-CE2 3.99Å; K382-F384 HydrophobicContact CB-CZ 4.18Å; K382-F384 WeakPolarHBondContact O-CE2 3.06Å; F384-R386 VanDerWaalsContact C-N 3.3Å; F384-H389 HydrophobicContact CD1-CB 3.92Å; F384-H389 HydrophobicContact CG-CB 4.49Å; F384-L390 HydrophobicContact CB-CB 4.49Å; F384-L390 HydrophobicContact CD2-CB 4.11Å; F384-L390 HydrophobicContact CD2-CD1 4.02Å; F384-L390 HydrophobicContact CE2-CD1 4.17Å; F384-L390 HydrophobicContact CG-CB 4.39Å; F384-H393 HydrophobicContact CE1-CB 4.2Å; F384-H393 HydrophobicContact CE2-CB 4.26Å; F384-H393 AromaticContact CE2-CD2 3.34Å; F384-H393 WeakPolarHBondContact CE2-CD2 3.29Å; F384-H393 AromaticContact CE2-CG 3.93Å; F384-H393 HydrophobicContact CZ-CB 3.7Å; F384-H393 AromaticContact CZ-CD2 3.3Å; F384-H393 WeakPolarHBondContact CZ-CD2 3.13Å; F384-H393 AromaticContact CZ-CG 3.43Å; F384-H393 VanDerWaalsContact CZ-CG 3.43Å; F384-H393 AromaticContact CZ-NE2 3.94Å
385T78.1Confident82.4Confident46 Ų4680.7 Ų80.728%0.28240%0.399SS..SBendtrans-78.9-13.1171.951.40000113.1K373K373-T385 HydrophobicContact CG-CG2 3.88Å
386R76.2Confident82.8Confident78 Ų7880.4 Ų80.429%0.29440%0.403SS..  trans-138.2141.5-172.9-68.516552.8173.2-2.7112.5F375 F384 D388 H389 L390F375-R386 VanDerWaalsContact CD2-C 3.46Å; F384-R386 VanDerWaalsContact C-N 3.3Å; R386-D388 WeakPolarHBondContact CB-OD1 3.07Å; R386-D388 IonicContact CZ-OD1 3.66Å; R386-D388 IonicContact CZ-OD2 2.72Å; R386-D388 IonicContact NE-OD1 3.83Å; R386-D388 PolarHBondContact NE-OD1 2.99Å; R386-D388 IonicContact NE-OD2 3.45Å; R386-D388 IonicContact NH2-OD1 2.74Å; R386-D388 PolarHBondContact NH2-OD1 3.33Å; R386-D388 IonicContact NH2-OD2 2.85Å; R386-D388 PolarHBondContact NH2-OD2 3.24Å; R386-H389 HydrophobicContact CB-CB 4.36Å; R386-H389 PolarHBondContact NH2-NE2 3.17Å; R386-L390 PolarHBondContact O-N 3.24Å
387S81.6Confident82.7Confident71 Ų7180 Ų8050%0.49740%0.398SS..Hα-helixtrans-70.5-31177.4500000113.7L390 S391S387-L390 PolarHBondContact O-N 3.3Å; S387-S391 WeakPolarHBondContact O-CB 3.4Å; S387-S391 PolarHBondContact O-N 3.4Å
388D82.8Confident82.3Confident64 Ų6483.1 Ų83.134%0.34242%0.423SS..Hα-helixtrans-70.9-33.5177.172.5-62.1000112.1R386 K392R386-D388 WeakPolarHBondContact CB-OD1 3.07Å; R386-D388 IonicContact CZ-OD1 3.66Å; R386-D388 IonicContact CZ-OD2 2.72Å; R386-D388 IonicContact NE-OD1 3.83Å; R386-D388 PolarHBondContact NE-OD1 2.99Å; R386-D388 IonicContact NE-OD2 3.45Å; R386-D388 IonicContact NH2-OD1 2.74Å; R386-D388 PolarHBondContact NH2-OD1 3.33Å; R386-D388 IonicContact NH2-OD2 2.85Å; R386-D388 PolarHBondContact NH2-OD2 3.24Å; D388-K392 WeakPolarHBondContact O-CG 3.43Å; D388-K392 PolarHBondContact O-N 3.03Å
389H84.4Confident81.5Confident78 Ų7881 Ų8136%0.36141%0.412SS..Hα-helixtrans-67.8-45170.1-66-28.1000111.9F384 R386 S391 K392 H393F384-H389 HydrophobicContact CD1-CB 3.92Å; F384-H389 HydrophobicContact CG-CB 4.49Å; R386-H389 HydrophobicContact CB-CB 4.36Å; R386-H389 PolarHBondContact NH2-NE2 3.17Å; H389-S391 VanDerWaalsContact C-N 3.33Å; H389-S391 PolarHBondContact O-N 2.81Å; H389-K392 PolarHBondContact O-N 3.12Å; H389-H393 WeakPolarHBondContact O-CB 3.44Å; H389-H393 PolarHBondContact O-N 3.45Å
390L87Confident80.4Confident19 Ų1978.3 Ų78.310%0.09940%0.404CS..Hα-helixtrans-57.6-45.4172.8173.360000111.4F375 C377 F384 R386 S387 K392 H393 Q394F375-L390 HydrophobicContact CB-CB 4.18Å; F375-L390 HydrophobicContact CB-CD2 3.85Å; C377-L390 HydrophobicContact CB-CD1 3.53Å; F384-L390 HydrophobicContact CB-CB 4.49Å; F384-L390 HydrophobicContact CD2-CB 4.11Å; F384-L390 HydrophobicContact CD2-CD1 4.02Å; F384-L390 HydrophobicContact CE2-CD1 4.17Å; F384-L390 HydrophobicContact CG-CB 4.39Å; R386-L390 PolarHBondContact O-N 3.24Å; S387-L390 PolarHBondContact O-N 3.3Å; L390-K392 PolarHBondContact O-N 2.85Å; L390-H393 CarbonylContact O-C 3.3Å; L390-H393 PolarHBondContact O-N 3.09Å; L390-Q394 HydrophobicContact CD1-CG 3.94Å; L390-Q394 HydrophobicContact CG-CG 4.34Å; L390-Q394 WeakPolarHBondContact O-CB 3.35Å; L390-Q394 WeakPolarHBondContact O-CG 3.42Å; L390-Q394 PolarHBondContact O-N 3.11Å
391S84.9Confident79Confident60 Ų6080.1 Ų80.142%0.4242%0.422SS..Hα-helixtrans-65.6-35.9-179.6-176.90000113.1S387 H389S387-S391 WeakPolarHBondContact O-CB 3.4Å; S387-S391 PolarHBondContact O-N 3.4Å; H389-S391 VanDerWaalsContact C-N 3.33Å; H389-S391 PolarHBondContact O-N 2.81Å
392K86.2Confident77.6Confident132 Ų13282.6 Ų82.657%0.57443%0.432SS*.Hα-helixtrans-64.6-47.1170.2-74.8178.4178.5-172.10111.5D388 H389 L390 Q394 K395 T396D388-K392 WeakPolarHBondContact O-CG 3.43Å; D388-K392 PolarHBondContact O-N 3.03Å; H389-K392 PolarHBondContact O-N 3.12Å; L390-K392 PolarHBondContact O-N 2.85Å; K392-Q394 VanDerWaalsContact C-N 3.33Å; K392-Q394 PolarHBondContact O-N 3.32Å; K392-K395 WeakPolarHBondContact O-CB 3.48Å; K392-K395 PolarHBondContact O-N 2.86Å; K392-K395 VanDerWaalsContact O-N 3.1Å; K392-T396 PolarHBondContact O-N 3.31Å
393H87.1Confident76.2Confident31 Ų3183.8 Ų83.814%0.14444%0.44CS..Hα-helixtrans-66.1-30.6179171.961.1000113.5C380 F384 H389 L390 K395 T396 H397C380-H393 PolarHBondContact SG-NE2 2.66Å; F384-H393 HydrophobicContact CE1-CB 4.2Å; F384-H393 HydrophobicContact CE2-CB 4.26Å; F384-H393 AromaticContact CE2-CD2 3.34Å; F384-H393 WeakPolarHBondContact CE2-CD2 3.29Å; F384-H393 AromaticContact CE2-CG 3.93Å; F384-H393 HydrophobicContact CZ-CB 3.7Å; F384-H393 AromaticContact CZ-CD2 3.3Å; F384-H393 WeakPolarHBondContact CZ-CD2 3.13Å; F384-H393 AromaticContact CZ-CG 3.43Å; F384-H393 VanDerWaalsContact CZ-CG 3.43Å; F384-H393 AromaticContact CZ-NE2 3.94Å; H389-H393 WeakPolarHBondContact O-CB 3.44Å; H389-H393 PolarHBondContact O-N 3.45Å; L390-H393 CarbonylContact O-C 3.3Å; L390-H393 PolarHBondContact O-N 3.09Å; H393-K395 PolarHBondContact O-N 3.45Å; H393-T396 PolarHBondContact ND1-OG1 2.75Å; H393-T396 PolarHBondContact O-N 3.26Å; H393-T396 PolarHBondContact O-OG1 2.92Å; H393-H397 AromaticContact CD2-NE2 3.85Å; H393-H397 AromaticContact CE1-CD2 3.91Å; H393-H397 AromaticContact CE1-CE1 3.93Å; H393-H397 AromaticContact CE1-NE2 3.12Å; H393-H397 PolarHBondContact CE1-NE2 3.01Å; H393-H397 AromaticContact ND1-NE2 3.95Å; H393-H397 AromaticContact NE2-CD2 3.84Å; H393-H397 AromaticContact NE2-NE2 3.02Å; H393-H397 PolarHBondContact NE2-NE2 3.08Å; H393-H397 PolarHBondContact O-CD2 2.05Å; H393-H397 VanDerWaalsContact O-CD2 3.22Å
394Q84.5Confident74.6Confident88 Ų8880.8 Ų80.841%0.41146%0.456SS..Hα-helixtrans-63.9-26.9172.4-78.7171.7-40.600112.5L390 K392L390-Q394 HydrophobicContact CD1-CG 3.94Å; L390-Q394 HydrophobicContact CG-CG 4.34Å; L390-Q394 WeakPolarHBondContact O-CB 3.35Å; L390-Q394 WeakPolarHBondContact O-CG 3.42Å; L390-Q394 PolarHBondContact O-N 3.11Å; K392-Q394 VanDerWaalsContact C-N 3.33Å; K392-Q394 PolarHBondContact O-N 3.32Å
395K86.1Confident72.8Confident135 Ų13587.5 Ų87.559%0.58749%0.485SS*.Hα-helixtrans-72.3-40174-62.3178.6-177.9-168.80111.9K392 H393 H397 A398 D399K392-K395 WeakPolarHBondContact O-CB 3.48Å; K392-K395 PolarHBondContact O-N 2.86Å; K392-K395 VanDerWaalsContact O-N 3.1Å; H393-K395 PolarHBondContact O-N 3.45Å; K395-H397 PolarHBondContact O-N 3.3Å; K395-A398 WeakPolarHBondContact O-CA 3.38Å; K395-A398 WeakPolarHBondContact O-CB 3.48Å; K395-A398 PolarHBondContact O-N 3.18Å; K395-D399 VanDerWaalsContact C-OD2 3.29Å; K395-D399 VanDerWaalsContact O-CG 3.25Å; K395-D399 PolarHBondContact O-N 2.92Å
396T83.4Confident71Confident66 Ų6691.9 Ų91.941%0.40551%0.512SS..Hα-helixtrans-59.6-26.5178.564.20000112.7K392 H393 D399 S400K392-T396 PolarHBondContact O-N 3.31Å; H393-T396 PolarHBondContact ND1-OG1 2.75Å; H393-T396 PolarHBondContact O-N 3.26Å; H393-T396 PolarHBondContact O-OG1 2.92Å; T396-D399 WeakPolarHBondContact CA-OD2 3.47Å; T396-S400 VanDerWaalsContact O-CB 3.29Å; T396-S400 WeakPolarHBondContact O-CB 3.47Å; T396-S400 PolarHBondContact O-N 2.78Å; T396-S400 PolarHBondContact O-OG 3.46Å
397H79.6Confident69.6Low48 Ų4894.5 Ų94.522%0.22254%0.537CS..Hα-helixtrans-71.3-36.3170.6-68.7-73.2000113.7L379 C380 H393 K395 A401L379-H397 HydrophobicContact CD1-CB 3.57Å; C380-H397 PolarHBondContact SG-CE1 3.19Å; C380-H397 PolarHBondContact SG-NE2 3.48Å; C380-H397 VanDerWaalsContact SG-NE2 3.36Å; H393-H397 AromaticContact CD2-NE2 3.85Å; H393-H397 AromaticContact CE1-CD2 3.91Å; H393-H397 AromaticContact CE1-CE1 3.93Å; H393-H397 AromaticContact CE1-NE2 3.12Å; H393-H397 PolarHBondContact CE1-NE2 3.01Å; H393-H397 AromaticContact ND1-NE2 3.95Å; H393-H397 AromaticContact NE2-CD2 3.84Å; H393-H397 AromaticContact NE2-NE2 3.02Å; H393-H397 PolarHBondContact NE2-NE2 3.08Å; H393-H397 PolarHBondContact O-CD2 2.05Å; H393-H397 VanDerWaalsContact O-CD2 3.22Å; K395-H397 PolarHBondContact O-N 3.3Å; H397-A401 PolarHBondContact O-N 3.44Å
398A75.9Confident67.4Low64 Ų6494.7 Ų94.753%0.52954%0.542SS..Hα-helixtrans-69-37.9173.300000111.4K395 A401K395-A398 WeakPolarHBondContact O-CA 3.38Å; K395-A398 WeakPolarHBondContact O-CB 3.48Å; K395-A398 PolarHBondContact O-N 3.18Å; A398-A401 WeakPolarHBondContact O-CB 3.31Å; A398-A401 PolarHBondContact O-N 3.14Å
399D65.3Low65.9Low105 Ų10598.8 Ų98.856%0.56157%0.569SS**Hα-helixtrans-66.8-43.1174.7-52.4-42.9000110.8K395 T396 A401 M402K395-D399 VanDerWaalsContact C-OD2 3.29Å; K395-D399 VanDerWaalsContact O-CG 3.25Å; K395-D399 PolarHBondContact O-N 2.92Å; T396-D399 WeakPolarHBondContact CA-OD2 3.47Å; D399-A401 VanDerWaalsContact C-N 3.29Å; D399-A401 PolarHBondContact O-N 3.06Å; D399-M402 PolarHBondContact O-N 3.1Å
400S58.8Low63.5Low70 Ų70103.5 Ų103.549%0.4959%0.591SS.*Hα-helixtrans-67.6-22.2174.6-64.40000114.1T396 M402 Q403T396-S400 VanDerWaalsContact O-CB 3.29Å; T396-S400 WeakPolarHBondContact O-CB 3.47Å; T396-S400 PolarHBondContact O-N 2.78Å; T396-S400 PolarHBondContact O-OG 3.46Å; S400-M402 PolarHBondContact O-N 2.91Å; S400-M402 VanDerWaalsContact O-N 3.17Å; S400-Q403 CarbonylContact O-C 3.59Å; S400-Q403 PolarHBondContact O-N 3.46Å
401A56.5Low61.2Low82 Ų82105 Ų10568%0.67861%0.612SS**THydrogen-bonded Turntrans-64.5-18.2177.700000113.4H397 A398 D399 Q403H397-A401 PolarHBondContact O-N 3.44Å; A398-A401 WeakPolarHBondContact O-CB 3.31Å; A398-A401 PolarHBondContact O-N 3.14Å; D399-A401 VanDerWaalsContact C-N 3.29Å; D399-A401 PolarHBondContact O-N 3.06Å; A401-Q403 VanDerWaalsContact C-N 3.34Å
402M51.1Low59.1Low171 Ų171110.6 Ų110.684%0.84264%0.637SS**THydrogen-bonded Turntrans-82.1-8.9172-70.2-67.7178.800113.7D399 S400D399-M402 PolarHBondContact O-N 3.1Å; S400-M402 PolarHBondContact O-N 2.91Å; S400-M402 VanDerWaalsContact O-N 3.17Å
403Q50.1Low56.8Low155 Ų155110.2 Ų110.272%0.72465%0.646SS**SBendtrans-130.485.9-176.8-66.3175.213.100108.3S400 A401 K405S400-Q403 CarbonylContact O-C 3.59Å; S400-Q403 PolarHBondContact O-N 3.46Å; A401-Q403 VanDerWaalsContact C-N 3.34Å; Q403-K405 PolarHBondContact O-N 3.47Å
404G47.2Very low54.5Low90 Ų90115.2 Ų115.293%0.92867%0.674SS**  trans-64.166.9-170.200000115.4
405K41.2Very low52.3Low185 Ų185116 Ų11680%0.80469%0.686SS**  trans-105114.2175.7-168.5169.3-174.4176.40108.7Q403 V407Q403-K405 PolarHBondContact O-N 3.47Å; K405-V407 PolarHBondContact O-N 3.45Å; K405-V407 VanDerWaalsContact O-N 3.11Å
406T41.8Very low50.3Low138 Ų138119.7 Ų119.785%0.84770%0.697SS**  trans-60.3111.9175.937.10000110.1A408T406-A408 PolarHBondContact O-N 3.07Å; T406-A408 VanDerWaalsContact O-N 3.15Å
407V45.6Very low48.3Very low133 Ų133122.1 Ų122.181%0.80671%0.711SS**  trans-75.5103.9172.5-179.50000107.7K405K405-V407 PolarHBondContact O-N 3.45Å; K405-V407 VanDerWaalsContact O-N 3.11Å
408A36.9Very low46.2Very low74 Ų74128.8 Ų128.861%0.61274%0.743SS**  trans-58.4142.8170.100000110.1T406 E410T406-A408 PolarHBondContact O-N 3.07Å; T406-A408 VanDerWaalsContact O-N 3.15Å; A408-E410 VanDerWaalsContact C-N 3.27Å; A408-E410 PolarHBondContact O-N 3.29Å
409V49.6Very low44.4Very low150 Ų150131.8 Ų131.891%0.90975%0.75SS**  trans-79.681.4174.5-177.40000108.3
410E34.6Very low43.3Very low177 Ų177133.3 Ų133.383%0.82776%0.763SS**  trans-79.6136.2165-62.6-161.713900109.8A408A408-E410 VanDerWaalsContact C-N 3.27Å; A408-E410 PolarHBondContact O-N 3.29Å
411G39.7Very low42.2Very low52 Ų52134.1 Ų134.154%0.53677%0.769SS.*  trans-83.1-157.1-162.500000115.6T413G411-T413 VanDerWaalsContact C-N 3.32Å; G411-T413 PolarHBondContact O-N 3.25Å; G411-T413 PolarHBondContact O-OG1 3.34Å
412D40Very low41Very low177 Ų177138.1 Ų138.195%0.94777%0.774SS**  trans-58.779.3-169.2-63.1-94.8000115.3
413T37.6Very low40.2Very low123 Ų123137.5 Ų137.576%0.75577%0.773SS**  trans-93.2103.8159.536.80000108.7G411 P415G411-T413 VanDerWaalsContact C-N 3.32Å; G411-T413 PolarHBondContact O-N 3.25Å; G411-T413 PolarHBondContact O-OG1 3.34Å; T413-P415 WeakPolarHBondContact O-CD 3.34Å
414D38.8Very low39.4Very low137 Ų137135.2 Ų135.273%0.73377%0.765SS**  trans-65.3118.9177.3-150.5-7.7000109.1R416D414-R416 PolarHBondContact O-N 3.49Å
415P39.7Very low38.8Very low103 Ų103133.7 Ų133.767%0.66974%0.74SS**  trans-75.481.4-177.430.4-34.7000109.9T413T413-P415 WeakPolarHBondContact O-CD 3.34Å
416R42.2Very low38.7Very low214 Ų214130.9 Ų130.981%0.80873%0.734SS**  trans-87.6147.6169.8-165.9174.1177134.4-2.5108.9D414D414-R416 PolarHBondContact O-N 3.49Å
417T41.4Very low38.1Very low116 Ų116127.9 Ų127.971%0.71272%0.723SS**SBendtrans56.955.4171.145.10000117.5
418E36.6Very low37.7Very low188 Ų188127.6 Ų127.688%0.87972%0.722SS**  trans-140.245.1155.5-78.3-58.4164.700111.6
419D37.3Very low37.5Very low128 Ų128129.3 Ų129.368%0.68473%0.727SS**  trans-151.256.4162.6-160.18000112.4S421D419-S421 PolarHBondContact OD1-OG 3.45Å
420T41.9Very low36.7Very low137 Ų137128.1 Ų128.184%0.8472%0.72SS**  trans-107.539.215448.10000110E422T420-E422 PolarHBondContact O-N 3.43Å
421S35.8Very low36.6Very low87 Ų87126.7 Ų126.761%0.60872%0.718SS**  trans-80.691.2166.969.90000108.7D419 L423D419-S421 PolarHBondContact OD1-OG 3.45Å; S421-L423 PolarHBondContact O-N 3.34Å
422E31.5Very low36.3Very low166 Ų166130.3 Ų130.378%0.77673%0.732SS**  trans-65.4104.2174.2-68.5-144.2116.100109.8T420 N424T420-E422 PolarHBondContact O-N 3.43Å; E422-N424 PolarHBondContact O-N 3.24Å
423L35.7Very low35.8Very low158 Ų158128.4 Ų128.483%0.82773%0.726SS**  trans-70.468.6159.9-71.4179.4000109.5S421 S425S421-L423 PolarHBondContact O-N 3.34Å; L423-S425 VanDerWaalsContact C-N 3.33Å; L423-S425 PolarHBondContact O-N 3.24Å; L423-S425 PolarHBondContact O-OG 3.23Å; L423-S425 VanDerWaalsContact O-OG 3.08Å
424N32.7Very low35.5Very low106 Ų106126.7 Ų126.757%0.56773%0.725SS**  trans-58.397.1168177.39.6000108.3E422 N426E422-N424 PolarHBondContact O-N 3.24Å; N424-N426 PolarHBondContact O-N 3.29Å; N424-N426 VanDerWaalsContact O-N 3.13Å; N424-N426 WeakPolarHBondContact OD1-CB 3.38Å; N424-N426 PolarHBondContact OD1-N 3.04Å; N424-N426 VanDerWaalsContact OD1-N 3.11Å
425S35Very low35Very low58 Ų58127 Ų12741%0.40673%0.727SS.*  trans-79.814.2-176.9-55.30000113.2W338 L423W338-S425 PolarHBondContact NE1-O 3.1Å; L423-S425 VanDerWaalsContact C-N 3.33Å; L423-S425 PolarHBondContact O-N 3.24Å; L423-S425 PolarHBondContact O-OG 3.23Å; L423-S425 VanDerWaalsContact O-OG 3.08Å
426N38Very low34.6Very low126 Ų126130.3 Ų130.367%0.67473%0.733SS**  trans-109.454.5174.6-60.9-0.9000110.6N424N424-N426 PolarHBondContact O-N 3.29Å; N424-N426 VanDerWaalsContact O-N 3.13Å; N424-N426 WeakPolarHBondContact OD1-CB 3.38Å; N424-N426 PolarHBondContact OD1-N 3.04Å; N424-N426 VanDerWaalsContact OD1-N 3.11Å
427A30.2Very low34.1Very low75 Ų75127.3 Ų127.362%0.6273%0.731SS**  trans-107.1116.5168.800000109.5
428V36.1Very low33.5Very low128 Ų128125.1 Ų125.178%0.77673%0.726SS**  trans-78.1126.4172175.80000108.4T430V428-T430 PolarHBondContact O-N 3.18Å; V428-T430 VanDerWaalsContact O-N 3.13Å
429P32.6Very low33.1Very low110 Ų110124 Ų12471%0.71473%0.725SS**  trans-77.998.7177.331-33.2000110.7
430T34.1Very low32.7Very low124 Ų124121.6 Ų121.676%0.76173%0.731SS**PPolyproline II helixtrans-79.5129.3164.847.20000110.1V428V428-T430 PolarHBondContact O-N 3.18Å; V428-T430 VanDerWaalsContact O-N 3.13Å
431N31Very low32.1Very low147 Ų147122.5 Ų122.579%0.78673%0.731SS**PPolyproline II helixtrans-66.7139.4175.2-69.2-36.6000111.2V433N431-V433 PolarHBondContact O-N 3.31Å
432P34.4Very low31.9Very low128 Ų128125.6 Ų125.683%0.83174%0.736SS**PPolyproline II helixtrans-75.9119.3159.831.2-30.1000109.5
433V29.6Very low32Very low137 Ų137125.4 Ų125.483%0.8373%0.732SS**PPolyproline II helixtrans-93.9141.7156.8175.10000106.6N431N431-V433 PolarHBondContact O-N 3.31Å
434A31.8Very low31.7Very low88 Ų88123.9 Ų123.973%0.72773%0.73SS**PPolyproline II helixtrans-77.1151.2178.800000111.5
435D28.4Very low31.5Very low144 Ų144125.2 Ų125.277%0.7774%0.742SS**  -149.8170.8127.1-135.5-39.6000111.4
436Q30.3Very low31.5Very low172 Ų172127.7 Ų127.780%0.80476%0.755SS**  trans-91.4-179.1-179.1-64.5164.489.800110.2
437I31.6Very low31.6Very low150 Ų150127.4 Ų127.477%0.76976%0.76SS**  -179.8150.282.6-85.8164.3000109.7
438A29.9Very low31.6Very low71 Ų71131.7 Ų131.759%0.58777%0.772SS**  trans73.4103.4157.500000122.4
439N27.8Very low31.2Very low164 Ų164129.1 Ų129.188%0.87777%0.772SS**  64.4134.2112.8-52.8-7.4000122
440G28.8Very low31.1Very low78 Ų78130.4 Ų130.480%0.80478%0.777SS**  trans170.490.1170.200000111.3
441D29.9Very low31.1Very low156 Ų156133.4 Ų133.483%0.83478%0.783SS**  trans-82.4172-173.8-82.2-84.8000115
442E31.3Very low31Very low152 Ų152133.5 Ų133.571%0.7178%0.783SS**  trans80.2112162.7-73.3-140.881.800121.6
443K32.8Very low31Very low161 Ų161132.7 Ų132.770%0.778%0.781SS**  84.493.8115.8-168.8-175.6-98.3146.20119.6
444T28.8Very low31.3Very low126 Ų126132 Ų13277%0.77378%0.782SS**  25.8117.1119.5-46.20000119.6
445T30.1Very low31.4Very low134 Ų134131.8 Ų131.882%0.82279%0.788SS**  trans-165.1155.8132.2-79.30000110.5
446T34.6Very low31.8Very low111 Ų111132.3 Ų132.368%0.68179%0.79SS**  trans-78.3154.5-175.349.30000114.7
447P39.6Very low32.1Very low120 Ų120130.3 Ų130.378%0.77978%0.784SS**  trans-76139.9170.433.3-34.6000111.9
448N31.1Very low32.3Very low165 Ų165130.9 Ų130.988%0.88278%0.783SS**  trans-168.1164.2168-110.2-30.4000110
449G27Very low33.1Very low74 Ų74138.8 Ų138.876%0.76381%0.813SS**  trans92.386.5160.100000116.2
450V31.1Very low33.4Very low136 Ų136137.5 Ų137.582%0.82481%0.81SS**  trans-61.8138.3154.3172.60000109.6
451E32.9Very low33.6Very low188 Ų188140.6 Ų140.688%0.87981%0.81SS**  trans-160.6161.6139.3-119.3167.7-168.800114.2
452N29.4Very low33.8Very low148 Ų148139.8 Ų139.879%0.79181%0.809SS**  trans-88.5154.5-175.6-64.4-55.8000111.8
453S35.4Very low34Very low112 Ų112139.1 Ų139.178%0.78382%0.815SS**  175.3142.8104.5440000115.5
454S35.8Very low34Very low123 Ų123137.7 Ų137.786%0.8682%0.822SS**  trans23.8113.9143-49.20000120.7
455G33.8Very low34.4Very low82 Ų82138.5 Ų138.585%0.84583%0.825SS**  trans-141.4113163.500000111.1
456L35.7Very low34.7Very low155 Ų155138.8 Ų138.881%0.81283%0.825SS**  trans-87.1147-167.7-130.272.7000113.6
457L37Very low34.7Very low130 Ų130140.9 Ų140.968%0.68184%0.836SS**  trans52.5141.3146-74.8170.9000123.2
458E35.6Very low34.3Very low163 Ų163142.7 Ų142.776%0.76284%0.841SS**  trans64.3147.7149.8-68.3166.4102.300117.7
459I46.8Very low34.6Very low236 Ų236140.6 Ų140.6100%1.2184%0.837SS**  cis-123.4013.6-51.6165.9000110.1

Retrieved 459 of 459 residues in 552.9 ms (Link to these results)