A0A2K5M285_CERAT Loading...

Protein naked cuticle homolog

Cell autonomous antagonist of the canonical Wnt signaling pathway.

AlphaFold DB , UniProt , Accession A0A2K5M285, Species CERAT (Cercocebus atys, Sooty mangabey), Gene NKD1, Length 470 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.7Very low47.8Very low246 Ų246146.1 Ų146.1100%1.21285%0.849SS**  0106.40-81.3-73.1-93.100108.9
2G43.3Very low47.3Very low75 Ų75143.9 Ų143.977%0.77385%0.845SS**  trans-157.4119.7176.400000109.4
3K49.2Very low47.6Very low193 Ų193148 Ų14884%0.83985%0.846SS**  trans-95.8108.9-176.5-68.7-177.5178-179.50109.4H5K3-H5 PolarHBondContact O-N 2.83Å; K3-H5 VanDerWaalsContact O-N 3.16Å
4L51.4Low47.4Very low178 Ų178151.2 Ų151.293%0.93284%0.838SS**  trans-70.6106.5172.1-69.4174000109.6S6L4-S6 PolarHBondContact O-N 2.57Å
5H45.5Very low47.7Very low164 Ų164156.5 Ų156.576%0.75984%0.84SS**  trans-79.194175.344.756.3000110.3K3 K7K3-H5 PolarHBondContact O-N 2.83Å; K3-H5 VanDerWaalsContact O-N 3.16Å; H5-K7 PolarHBondContact O-N 3.13Å
6S49.9Very low47.9Very low118 Ų118158.3 Ų158.383%0.82584%0.841SS**PPolyproline II helixtrans-62.6124.7169.9-1710000109.8L4L4-S6 PolarHBondContact O-N 2.57Å
7K56.6Low47.4Very low181 Ų181154.1 Ų154.179%0.78783%0.828SS**PPolyproline II helixtrans-83136.5171.4-66.1-178.7179.5179.70108.4H5 A9H5-K7 PolarHBondContact O-N 3.13Å; K7-A9 PolarHBondContact O-N 3.02Å
8P46.3Very low47.8Very low124 Ų124152.8 Ų152.881%0.80583%0.829SS**PPolyproline II helixtrans-60.9137.6169.727.3-33.5000109.4
9A44.3Very low47.8Very low97 Ų97153.3 Ų153.380%0.80283%0.825SS**PPolyproline II helixtrans-62.6139.3176.900000110.4K7K7-A9 PolarHBondContact O-N 3.02Å
10A46Very low47.7Very low91 Ų91149.1 Ų149.175%0.75282%0.82SS**PPolyproline II helixtrans-65.1139.8176.400000110.4C12A10-C12 PolarHBondContact O-N 2.98Å
11V46.3Very low47.3Very low140 Ų140147 Ų14785%0.84881%0.807SS**  trans-66.3105.7176.7176.30000109.3K13V11-K13 PolarHBondContact O-N 2.88Å
12C42.1Very low47.1Very low120 Ų120140.5 Ų140.581%0.81179%0.787SS**  trans-62.2115.8170.8-650000109.4A10A10-C12 PolarHBondContact O-N 2.98Å
13K50.6Low47.2Very low197 Ų197145.2 Ų145.286%0.85779%0.786SS**  trans-61.2137.9167.7-75.4-174.6172.7-1750109.2V11 R15V11-K13 PolarHBondContact O-N 2.88Å; K13-R15 PolarHBondContact O-N 3.28Å; K13-R15 VanDerWaalsContact O-N 3.14Å
14R45.8Very low47Very low193 Ų193140.6 Ų140.673%0.72878%0.784SS**  trans-55.1118.6171.4-164.2-178.4-160.7-1420.7107.9E16 D21R14-E16 PolarHBondContact O-N 2.95Å; R14-D21 IonicContact CZ-OD1 2.68Å; R14-D21 IonicContact CZ-OD2 2.81Å; R14-D21 IonicContact NH1-OD1 3.72Å; R14-D21 IonicContact NH1-OD2 2.79Å; R14-D21 PolarHBondContact NH1-OD2 3.1Å; R14-D21 IonicContact NH2-OD1 3.72Å; R14-D21 PolarHBondContact NH2-OD1 3.11Å; R14-D21 IonicContact NH2-OD2 3.21Å; R14-D21 PolarHBondContact NH2-OD2 3.32Å
15R51.4Low46.4Very low230 Ų230137.9 Ų137.987%0.86877%0.774SS**  trans-80.7113.1174.4-170.2178.8-175.1-142.7-1.9107.1K13 S17K13-R15 PolarHBondContact O-N 3.28Å; K13-R15 VanDerWaalsContact O-N 3.14Å; R15-S17 PolarHBondContact O-N 2.81Å
16E50.9Low46.1Very low185 Ų185135 Ų13586%0.86477%0.773SS**  trans-71.8121.5178-165.1169.8173.700109.1R14R14-E16 PolarHBondContact O-N 2.95Å
17S39.7Very low45.9Very low88 Ų88134 Ų13462%0.61577%0.772SS**  trans-94.6141.9170.8-66.20000108.5R15 E19R15-S17 PolarHBondContact O-N 2.81Å; S17-E19 PolarHBondContact O-N 3.47Å
18P53.9Low45.4Very low131 Ų131129.2 Ų129.285%0.85177%0.765SS**SBendtrans-73.67.4-17931.9-36.4000114.2
19E47.9Very low45.3Very low161 Ų161135 Ų13575%0.75277%0.771SS**SBendtrans-135.1117.4-170.6-69.6168.9-153.700110.2S17S17-E19 PolarHBondContact O-N 3.47Å
20G45.9Very low45.5Very low69 Ų69133.9 Ų133.971%0.71176%0.762SS**  trans48.295.9161.300000118.9S22G20-S22 VanDerWaalsContact C-N 3.32Å; G20-S22 PolarHBondContact O-N 3.05Å
21D40.1Very low45.6Very low105 Ų105139.9 Ų139.956%0.56177%0.765SS**  trans-72.980.2172.4-162.3-1.7000112.3R14 F23R14-D21 IonicContact CZ-OD1 2.68Å; R14-D21 IonicContact CZ-OD2 2.81Å; R14-D21 IonicContact NH1-OD1 3.72Å; R14-D21 IonicContact NH1-OD2 2.79Å; R14-D21 PolarHBondContact NH1-OD2 3.1Å; R14-D21 IonicContact NH2-OD1 3.72Å; R14-D21 PolarHBondContact NH2-OD1 3.11Å; R14-D21 IonicContact NH2-OD2 3.21Å; R14-D21 PolarHBondContact NH2-OD2 3.32Å; D21-F23 PolarHBondContact O-N 3.34Å
22S41.5Very low45.8Very low111 Ų111142.6 Ų142.678%0.77677%0.766SS**  trans-73.499.9175.7-69.50000111.2G20 A24G20-S22 VanDerWaalsContact C-N 3.32Å; G20-S22 PolarHBondContact O-N 3.05Å; S22-A24 PolarHBondContact O-N 3.01Å; S22-A24 VanDerWaalsContact O-N 3.1Å
23F45.7Very low46Very low174 Ų174139 Ų13976%0.76375%0.75SS**  trans-75.296-176.652.7-88.6000113.2D21 V25D21-F23 PolarHBondContact O-N 3.34Å; F23-V25 HydrophobicContact CD2-CG2 4.08Å; F23-V25 PolarHBondContact O-N 3.46Å
24A45.3Very low46.2Very low95 Ų95134.3 Ų134.379%0.78573%0.732SS**  trans-74.285.1166.600000111S22 S26S22-A24 PolarHBondContact O-N 3.01Å; S22-A24 VanDerWaalsContact O-N 3.1Å; A24-S26 PolarHBondContact O-N 3.13Å; A24-S26 VanDerWaalsContact O-N 3.16Å
25V39.4Very low46.7Very low122 Ų122132.7 Ų132.774%0.73973%0.733SS**  trans-64.8114175.3169.30000110F23 A27F23-V25 HydrophobicContact CD2-CG2 4.08Å; F23-V25 PolarHBondContact O-N 3.46Å; V25-A27 PolarHBondContact O-N 3.49Å
26S37.7Very low46.9Very low103 Ų103127.3 Ų127.372%0.7272%0.718SS**  trans-71.4119.3175.5-680000110.6A24 A28A24-S26 PolarHBondContact O-N 3.13Å; A24-S26 VanDerWaalsContact O-N 3.16Å; S26-A28 PolarHBondContact O-N 3.32Å
27A45.9Very low46.8Very low98 Ų98127 Ų12781%0.8171%0.709SS**THydrogen-bonded Turntrans-68.626.3-174.200000115.9V25V25-A27 PolarHBondContact O-N 3.49Å
28A46.2Very low47.7Very low79 Ų79127.5 Ų127.565%0.65370%0.704SS**THydrogen-bonded Turntrans-79.1-22.2-171.900000114.7S26S26-A28 PolarHBondContact O-N 3.32Å
29W44.2Very low47.8Very low246 Ų246124 Ų12493%0.93269%0.692SS**SBendtrans-93.9-12.3-170.8-95-40.9000116.4R31W29-R31 PolarHBondContact O-N 3.04Å
30A48.2Very low48.3Very low73 Ų73124.7 Ų124.760%0.60369%0.687SS**G310 helixtrans-68.6-3.1-170.700000116.2K32A30-K32 PolarHBondContact O-N 3.33Å
31R49.6Very low48.6Very low217 Ų217128.5 Ų128.582%0.81969%0.687SS**G310 helixtrans-9215.5-171.6-73.4-166.4-75.9-160.2-4.5116.3W29W29-R31 PolarHBondContact O-N 3.04Å
32K50.3Low49.2Very low197 Ų197133.2 Ų133.286%0.85770%0.697SS**G310 helixtrans-113.4-8177.7-147.7-174.1174.1-171.90115.8A30A30-K32 PolarHBondContact O-N 3.33Å
33G46.6Very low48.9Very low46 Ų46133.9 Ų133.947%0.47470%0.7SS.*THydrogen-bonded Turntrans-99.9-27179.400000115.2E35 E36 W37G33-E35 PolarHBondContact O-N 2.94Å; G33-E36 PolarHBondContact O-N 3.44Å; G33-W37 PolarHBondContact O-N 3.09Å
34I54Low48.7Very low97 Ų97131.9 Ų131.950%0.49770%0.704SS.*Hα-helixtrans-65.4-38.6-168.9-66.9170.6000112.5E36 W37 I38I34-E36 VanDerWaalsContact C-N 3.32Å; I34-E36 PolarHBondContact O-N 2.98Å; I34-W37 WeakPolarHBondContact O-CB 3.39Å; I34-W37 PolarHBondContact O-N 2.91Å; I34-I38 HydrophobicContact CG2-CD1 4.2Å; I34-I38 WeakPolarHBondContact O-CG1 3.21Å; I34-I38 PolarHBondContact O-N 2.83Å
35E57.1Low48.2Very low159 Ų159131.4 Ų131.474%0.74371%0.708SS**Hα-helixtrans-65.2-35.1-179.8-63.5177.7-163.400112.2G33 I38 G39G33-E35 PolarHBondContact O-N 2.94Å; E35-I38 PolarHBondContact O-N 3.01Å; E35-G39 PolarHBondContact O-N 3.27Å; E35-G39 VanDerWaalsContact O-N 3.11Å
36E54.9Low47.7Very low117 Ų117129.4 Ų129.455%0.54771%0.712SS.*Hα-helixtrans-71.7-31.9176.6-152.2-166.5143.300112.2G33 I34 R40G33-E36 PolarHBondContact O-N 3.44Å; I34-E36 VanDerWaalsContact C-N 3.32Å; I34-E36 PolarHBondContact O-N 2.98Å; E36-R40 VanDerWaalsContact CD-NH2 3.29Å; E36-R40 PolarHBondContact O-N 3.37Å; E36-R40 IonicContact OE1-CZ 4Å; E36-R40 IonicContact OE1-NH1 3.55Å; E36-R40 PolarHBondContact OE1-NH1 2.79Å; E36-R40 IonicContact OE1-NH2 3.28Å; E36-R40 PolarHBondContact OE1-NH2 3.41Å
37W48.2Very low47.6Very low178 Ų178131.4 Ų131.467%0.67472%0.72SS**Hα-helixtrans-66.6-46.6171.7146.6-80.4000111.7G33 I34 G39 R40 Q41G33-W37 PolarHBondContact O-N 3.09Å; I34-W37 WeakPolarHBondContact O-CB 3.39Å; I34-W37 PolarHBondContact O-N 2.91Å; W37-G39 VanDerWaalsContact C-N 3.27Å; W37-G39 PolarHBondContact O-N 3.3Å; W37-R40 PolarHBondContact O-N 2.8Å; W37-R40 VanDerWaalsContact O-N 3.16Å; W37-Q41 PolarHBondContact O-N 3.43Å
38I60.2Low47Very low100 Ų100132.4 Ų132.451%0.51372%0.721SS.*Hα-helixtrans-61.6-39.4177.5-62.9175.7000110.4I34 E35 R40 Q41I34-I38 HydrophobicContact CG2-CD1 4.2Å; I34-I38 WeakPolarHBondContact O-CG1 3.21Å; I34-I38 PolarHBondContact O-N 2.83Å; E35-I38 PolarHBondContact O-N 3.01Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.43Å; I38-Q41 PolarHBondContact O-N 2.69Å
39G54.6Low46.5Very low58 Ų58131.7 Ų131.760%0.59872%0.721SS**Hα-helixtrans-61.6-27.6177.600000114.8E35 W37E35-G39 PolarHBondContact O-N 3.27Å; E35-G39 VanDerWaalsContact O-N 3.11Å; W37-G39 VanDerWaalsContact C-N 3.27Å; W37-G39 PolarHBondContact O-N 3.3Å
40R58.5Low46.1Very low174 Ų174125.8 Ų125.866%0.65772%0.715SS**Hα-helixtrans-90.3-9179.3-86.4-169.6-76.6-91.14.9115.1E36 W37 I38E36-R40 VanDerWaalsContact CD-NH2 3.29Å; E36-R40 PolarHBondContact O-N 3.37Å; E36-R40 IonicContact OE1-CZ 4Å; E36-R40 IonicContact OE1-NH1 3.55Å; E36-R40 PolarHBondContact OE1-NH1 2.79Å; E36-R40 IonicContact OE1-NH2 3.28Å; E36-R40 PolarHBondContact OE1-NH2 3.41Å; W37-R40 PolarHBondContact O-N 2.8Å; W37-R40 VanDerWaalsContact O-N 3.16Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.43Å
41Q51.9Low45.3Very low149 Ų149133.1 Ų133.170%0.69673%0.727SS**SBendtrans-94.414.7177.8-82.8-68.1-23.800114.1W37 I38W37-Q41 PolarHBondContact O-N 3.43Å; I38-Q41 PolarHBondContact O-N 2.69Å
42R53.7Low44.4Very low205 Ų205131.7 Ų131.777%0.77473%0.729SS**SBendtrans-126.1135.2169.9-74.8-176.9171.4167.9-1.4110.9
43C34.4Very low43.5Very low124 Ų124129.6 Ų129.684%0.83873%0.727SS**  trans73.3104.7177.7-57.30000116.5
44P42.7Very low42.7Very low132 Ų132138.1 Ų138.186%0.85775%0.745SS**  trans-82.1141.9158.433.9-31.6000111.2
45G34.2Very low41.5Very low85 Ų85141.5 Ų141.588%0.87676%0.763SS**  trans82.8121167.300000116
46G28.7Very low40.2Very low80 Ų80138.5 Ų138.583%0.82577%0.765SS**  trans163.177.1176.800000112.8
47V35.7Very low39Very low146 Ų146136.1 Ų136.189%0.88577%0.772SS**  trans-87.5153.3-176.7-170.70000111.3
48S33.3Very low38.3Very low119 Ų119133.5 Ų133.583%0.83278%0.776SS**  trans92.8126.3163.1-158.10000117.4
49G35.5Very low37Very low63 Ų63137 Ų13765%0.64979%0.794SS**  trans-126145.5164.500000110
50P36.1Very low35.8Very low122 Ų122137.7 Ų137.779%0.79280%0.801SS**  trans-91120.8-174.532.9-32.5000113.4Q52P50-Q52 PolarHBondContact O-N 3.25Å
51R30.9Very low34.5Very low227 Ų227141.4 Ų141.486%0.85782%0.815SS**  trans-67.9107.3164.6167.7-178.4164.3-172.4-4.5109.5
52Q31.5Very low33.3Very low188 Ų188137.4 Ų137.488%0.87981%0.813SS**  trans-69.6131.6175.6-69.8-172.319.800112.1P50P50-Q52 PolarHBondContact O-N 3.25Å
53L30.1Very low32.3Very low153 Ų153134.5 Ų134.580%0.80182%0.818SS**  trans-110.4160.5160.2-110.8159.9000108.6
54R30.4Very low32.4Very low225 Ų225137.8 Ų137.885%0.84981%0.813SS**  trans-94164.1-166-66.6178.5173.3158.8-3.4113.3
55L29.7Very low31.8Very low168 Ų168138.1 Ų138.188%0.8880%0.804SS**  trans72.3144.3176.4-80.164.1000114.2
56A29.4Very low31.9Very low96 Ų96140 Ų14079%0.79379%0.793SS**  cis-162.3172.5-12.200000110.5
57G29.7Very low32Very low66 Ų66143 Ų14368%0.6880%0.795SS**  trans86.291.8148.300000119.9
58T32.3Very low31.7Very low124 Ų124139.7 Ų139.776%0.76179%0.79SS**  32.1125.212953.20000122.7
59I33.2Very low31.5Very low174 Ų174141.4 Ų141.489%0.89279%0.79SS**  trans73138.5141.8-58.6163.5000117.8
60G29.1Very low31.8Very low72 Ų72144.1 Ų144.174%0.74279%0.793SS**  trans154.977.9157.500000119
61R31.1Very low31.5Very low252 Ų252146.3 Ų146.395%0.95180%0.798SS**  trans-55.8137.7171.4174.6-156.2-57.9-93.12.4115
62G27.6Very low32Very low65 Ų65144.3 Ų144.367%0.6779%0.79SS**  trans102.6161.8160.500000115.3
63T31.8Very low31.8Very low143 Ų143140.5 Ų140.588%0.87778%0.775SS**  cis-152.5167.1-5.8-690000109.5
64R36.7Very low31.7Very low193 Ų193139 Ų13973%0.72877%0.773SS**  trans-43.8166.6175.6-165-162.7-172.9-121.92.3116.2
65E31.7Very low31.8Very low140 Ų140135.1 Ų135.165%0.65477%0.768SS**  trans96153.1157.5-54.7-167.9174.300117.3
66L36.5Very low31.8Very low125 Ų125132.2 Ų132.265%0.65476%0.762SS**  cis-166.3151.5-24.2-105.9170.1000107.8
67V30.8Very low32.1Very low143 Ų143135.4 Ų135.487%0.86776%0.761SS**  trans60.5146.5155.2174.20000118.4
68G28.6Very low32.5Very low75 Ų75141.5 Ų141.577%0.77377%0.771SS**  trans167.8116167.700000111.2
69D28.8Very low32.8Very low155 Ų155143.8 Ų143.883%0.82977%0.773SS**  trans-97.6171-170.4-132.1-36000113.8
70V41.5Very low33Very low120 Ų120144.8 Ų144.873%0.72777%0.774SS**  trans-25.9134.1171.5172.50000116.5
71L30Very low33.3Very low169 Ų169147.4 Ų147.489%0.88577%0.771SS**  trans-136.4147.9140-170.659.2000110.1
72R41.3Very low33.9Very low185 Ų185141 Ų14170%0.69876%0.756SS**  trans-135.8164.7178.7-150-162.668.9-139.6-14.2108.2
73D27.1Very low34.3Very low107 Ų107146.7 Ų146.757%0.57276%0.762SS**  trans76.8138.5179.6-52.3-13.2000113
74T29.1Very low34.9Very low121 Ų121150 Ų15074%0.74276%0.759SS**  cis-163.2169-2.68.50000112.3
75L31.5Very low35.2Very low145 Ų145148.4 Ų148.476%0.75976%0.764SS**  trans83.1161.6154.4-74.6158.4000121.1
76S30Very low35.8Very low107 Ų107150.3 Ų150.375%0.74877%0.773SS**  trans65.7100-170.6-60.30000114
77E35.5Very low36.1Very low163 Ų163149.7 Ų149.776%0.76277%0.774SS**  cis75.9143.448.9-56.8-177.797.100114
78E37.8Very low36.7Very low193 Ų193147.2 Ų147.290%0.90277%0.769SS**  trans65.7126.9-170.592.4-154.2144.100115.5
79E38.1Very low37.4Very low173 Ų173150.7 Ų150.781%0.80877%0.769SS**  cis-150.3129.83.1-171.7167.995.600109.3
80E37.7Very low38.2Very low194 Ų194148.6 Ų148.691%0.90776%0.764SS**  trans-105.8100-178.8-82.5-172.9107.100112.5D82E80-D82 VanDerWaalsContact C-N 3.31Å; E80-D82 PolarHBondContact O-N 3.45Å; E80-D82 VanDerWaalsContact O-N 3.09Å
81D36Very low38.6Very low128 Ų128148.3 Ų148.368%0.68476%0.764SS**  trans-81.472.1169.4-113-27.8000110.9F83D81-F83 HydrophobicContact CB-CE2 4.22Å; D81-F83 VanDerWaalsContact O-CD2 3.3Å; D81-F83 WeakPolarHBondContact O-CD2 3.33Å; D81-F83 PolarHBondContact O-N 2.74Å
82D44.4Very low39.2Very low118 Ų118148.6 Ų148.663%0.63176%0.761SS**  trans-76.3104.1172.1-179.432.5000110.6E80 R84E80-D82 VanDerWaalsContact C-N 3.31Å; E80-D82 PolarHBondContact O-N 3.45Å; E80-D82 VanDerWaalsContact O-N 3.09Å; D82-R84 PolarHBondContact O-N 3.1Å; D82-R84 VanDerWaalsContact OD2-CD 3.27Å; D82-R84 WeakPolarHBondContact OD2-CD 3.32Å; D82-R84 WeakPolarHBondContact OD2-CG 3.37Å
83F35.1Very low39.1Very low183 Ų183149.3 Ų149.380%0.80377%0.769SS**  trans-71.768-177.4-73.1-86.8000113.1D81 L85D81-F83 HydrophobicContact CB-CE2 4.22Å; D81-F83 VanDerWaalsContact O-CD2 3.3Å; D81-F83 WeakPolarHBondContact O-CD2 3.33Å; D81-F83 PolarHBondContact O-N 2.74Å; F83-L85 PolarHBondContact O-N 2.98Å
84R44.6Very low39.6Very low212 Ų212150 Ų15080%0.878%0.778SS**  trans-70.598.1176.2-66.2-17658.9-165.3-6111.2D82 E86D82-R84 PolarHBondContact O-N 3.1Å; D82-R84 VanDerWaalsContact OD2-CD 3.27Å; D82-R84 WeakPolarHBondContact OD2-CD 3.32Å; D82-R84 WeakPolarHBondContact OD2-CG 3.37Å; R84-E86 PolarHBondContact O-N 2.77Å
85L44Very low39.9Very low160 Ų160152.2 Ų152.284%0.83879%0.785SS**  trans-68.598.5178.5-170.871.2000111.7F83F83-L85 PolarHBondContact O-N 2.98Å
86E43.4Very low39.9Very low181 Ų181148.7 Ų148.785%0.84678%0.784SS**  trans-77.6120.4175.3-171175.8174.600111.4R84R84-E86 PolarHBondContact O-N 2.77Å
87V43.1Very low40.3Very low111 Ų111152.3 Ų152.367%0.67379%0.794SS**  trans-97.697.3176.5-178.70000109.2L89V87-L89 PolarHBondContact O-N 3.34Å
88A42.8Very low40.2Very low92 Ų92148.1 Ų148.176%0.7679%0.794SS**  trans-67.8111.2174.100000110.9
89L44.8Very low40Very low148 Ų148145.5 Ų145.578%0.77580%0.797SS**PPolyproline II helixtrans-75.8149.1170.3-64.8176.9000110.6V87V87-L89 PolarHBondContact O-N 3.34Å
90P45.2Very low39.7Very low111 Ų111141 Ų14172%0.72180%0.797SS**PPolyproline II helixtrans-58.6143.3170.6-21.633.2000111.1E92P90-E92 PolarHBondContact O-N 3.09Å
91P48.4Very low39.7Very low114 Ų114138.7 Ų138.774%0.7479%0.791SS**PPolyproline II helixtrans-65.6119.4-176.325.5-34000111.7
92E43.1Very low39.7Very low175 Ų175138.7 Ų138.782%0.81879%0.787SS**PPolyproline II helixtrans-61.5138.3167.1-74.7-168.179.700110.6P90P90-E92 PolarHBondContact O-N 3.09Å
93K39.5Very low39.3Very low199 Ų199140.5 Ų140.587%0.86579%0.789SS**  trans-104.766.7-177.6-59.4-178.9-172.9176.60110.2D95K93-D95 PolarHBondContact O-N 3.11Å
94T38.5Very low39.2Very low123 Ų123139.9 Ų139.976%0.75579%0.786SS**  trans-82.987.5172.429.10000110.1
95D33.9Very low38.5Very low167 Ų167136.2 Ų136.289%0.89378%0.779SS**  trans-62.1137.4168.7-125.7-44.5000110.2K93K93-D95 PolarHBondContact O-N 3.11Å
96G31.4Very low37.8Very low71 Ų71136.2 Ų136.273%0.73278%0.775SS**  trans-81.5130.5-157.300000115.4
97L40Very low37.7Very low183 Ų183138.6 Ų138.696%0.95878%0.776SS**  trans-110.2120.1159.3-78.5154.2000108.1
98G32.7Very low37.2Very low74 Ų74139.9 Ų139.976%0.76378%0.784SS**  trans-107.3-176.1-174.400000114.5
99S32.4Very low36.4Very low138 Ų138141.4 Ų141.497%0.96579%0.789SS**  trans74.6137.3179-159.70000116
100G32.8Very low35.8Very low78 Ų78141.5 Ų141.580%0.80479%0.786SS**  trans139.3101.3173.700000113.1
101D37.4Very low35.2Very low146 Ų146141.8 Ų141.878%0.78179%0.787SS**  trans-90.9159.9-173.1-171.3-150.7000114.3
102E36.3Very low34.6Very low128 Ų128141 Ų14160%0.59878%0.783SS**  trans61.1153.9150.774.7162.9-166.300126.5
103K36.1Very low34.2Very low156 Ų156138.8 Ų138.868%0.67878%0.784SS**  trans71.7104.3152.4-76.7-170.4-173.582.90122.7
104K32.7Very low33.7Very low170 Ų170133.2 Ų133.274%0.73978%0.783SS**  68.8123.9104.5-168.4-123.3177.5-149.50120.9
105M30.7Very low33.6Very low135 Ų135132 Ų13267%0.66578%0.78SS**  trans108.5148.5140.7-149.372.2179.400119.4
106E27.8Very low34.1Very low161 Ų161134.1 Ų134.175%0.75278%0.782SS**  trans85.5163.8150.5-132.9106.5114.900119.8
107R41.1Very low34.7Very low230 Ų230139.4 Ų139.487%0.86878%0.784SS**  trans-141.3167.4-169.9-80.8-79.8-167.2128.60109
108V33.8Very low34.7Very low139 Ų139139.2 Ų139.284%0.84278%0.778SS**  trans81.5104.7169.9-169.70000115.7
109S26.2Very low35Very low123 Ų123143.5 Ų143.586%0.8678%0.783SS**  trans-159116.3148.2-75.50000108.5
110E32.4Very low35.1Very low151 Ų151144.1 Ų144.171%0.70677%0.769SS**  trans-87.8148.3155.1-110.6-89109.600106.2C112E110-C112 PolarHBondContact OE1-N 3.25Å
111P31Very low35.5Very low116 Ų116149 Ų14975%0.75377%0.768SS**  -147.3167.163.739.2-19.9000118.1
112C36.2Very low35.6Very low97 Ų97148 Ų14866%0.65576%0.758SS**  trans-49.5150.9161.9-690000114E110E110-C112 PolarHBondContact OE1-N 3.25Å
113P34.3Very low35.6Very low129 Ų129149.3 Ų149.384%0.83876%0.764SS**  -145.815774.739.4-21.8000117.5
114G29.8Very low36Very low82 Ų82148.9 Ų148.985%0.84577%0.769SS**  trans-81.2-176.1-170.800000118.7
115S36.7Very low36Very low99 Ų99146.7 Ų146.769%0.69276%0.761SS**  trans-144.8117.615756.30000110.9K117S115-K117 PolarHBondContact O-N 3.29Å
116K45.3Very low36.2Very low211 Ų211145.4 Ų145.492%0.91776%0.764SS**  trans-83.696.5171.4-66.6177.1-177.7176.70108Q118K116-Q118 VanDerWaalsContact C-N 3.26Å; K116-Q118 PolarHBondContact O-N 3.46Å
117K43.9Very low36.8Very low181 Ų181144.2 Ų144.279%0.78776%0.763SS**  trans-74.780.8176.7-69.6-170.3179.5-178.60110.8S115 L119S115-K117 PolarHBondContact O-N 3.29Å; K117-L119 PolarHBondContact O-N 2.89Å; K117-L119 VanDerWaalsContact O-N 3.11Å
118Q38.7Very low36.5Very low179 Ų179137 Ų13784%0.83675%0.745SS**  trans-56.2108.4163.5174.5179.7-18.900108.5K116 K120K116-Q118 VanDerWaalsContact C-N 3.26Å; K116-Q118 PolarHBondContact O-N 3.46Å; Q118-K120 PolarHBondContact O-N 2.81Å
119L40.3Very low36.8Very low165 Ų165134.7 Ų134.786%0.86474%0.735SS**  trans-68.5106.3177-69174000109.1K117K117-L119 PolarHBondContact O-N 2.89Å; K117-L119 VanDerWaalsContact O-N 3.11Å
120K32.7Very low37.8Very low151 Ų151133.5 Ų133.566%0.65772%0.722SS**  trans-69.5128.7169.8-137.7-179.1171.1-125.90107.6Q118 E122Q118-K120 PolarHBondContact O-N 2.81Å; K120-E122 WeakPolarHBondContact CD-OE2 3.39Å; K120-E122 VanDerWaalsContact CE-OE2 3.22Å; K120-E122 WeakPolarHBondContact CE-OE2 3.43Å; K120-E122 WeakPolarHBondContact CG-OE2 3.41Å; K120-E122 IonicContact NZ-OE1 3.93Å; K120-E122 PolarHBondContact NZ-OE1 2.95Å; K120-E122 IonicContact NZ-OE2 2.75Å; K120-E122 PolarHBondContact NZ-OE2 2.79Å; K120-E122 PolarHBondContact O-N 2.68Å
121F41.6Very low38.2Very low179 Ų179133.2 Ų133.279%0.78572%0.721SS**  trans-82.457.6175.1-142.1-86.9000109.6L124F121-L124 HydrophobicContact CE1-CD1 4.46Å
122E40.7Very low39.3Very low125 Ų125135.8 Ų135.858%0.58472%0.722SS**  trans-78.5120.8170.3-132.487.6159.500107.8K120K120-E122 WeakPolarHBondContact CD-OE2 3.39Å; K120-E122 VanDerWaalsContact CE-OE2 3.22Å; K120-E122 WeakPolarHBondContact CE-OE2 3.43Å; K120-E122 WeakPolarHBondContact CG-OE2 3.41Å; K120-E122 IonicContact NZ-OE1 3.93Å; K120-E122 PolarHBondContact NZ-OE1 2.95Å; K120-E122 IonicContact NZ-OE2 2.75Å; K120-E122 PolarHBondContact NZ-OE2 2.79Å; K120-E122 PolarHBondContact O-N 2.68Å
123E36.1Very low39.9Very low156 Ų156137.4 Ų137.473%0.72973%0.725SS**  trans27.7108159.8-158.3160.4-169.400118.3Q125E123-Q125 HydrophobicContact CG-CB 4.29Å; E123-Q125 PolarHBondContact O-N 3.44Å
124L43.3Very low40.6Very low147 Ų147136.5 Ų136.577%0.7772%0.721SS**  trans-72.866.4166-70.9173.2000110.8F121 C126F121-L124 HydrophobicContact CE1-CD1 4.46Å; L124-C126 PolarHBondContact O-N 2.91Å
125Q33.9Very low41.9Very low125 Ų125136.5 Ų136.558%0.58470%0.696SS**  trans-71.292.8174.4-175.5175.6-28.100109.8E123 D127E123-Q125 HydrophobicContact CG-CB 4.29Å; E123-Q125 PolarHBondContact O-N 3.44Å; Q125-D127 PolarHBondContact NE2-OD1 3.27Å; Q125-D127 PolarHBondContact O-N 3.07Å
126C35.4Very low43.3Very low107 Ų107138 Ų13872%0.72369%0.692SS**  trans-74.390.6168.2-650000109.9L124 V128L124-C126 PolarHBondContact O-N 2.91Å; C126-V128 VanDerWaalsContact C-N 3.34Å; C126-V128 PolarHBondContact O-N 3.38Å
127D38.6Very low44.4Very low136 Ų136133.1 Ų133.173%0.72767%0.672SS**  trans-64.590.4171.6-79.7-26.5000111Q125Q125-D127 PolarHBondContact NE2-OD1 3.27Å; Q125-D127 PolarHBondContact O-N 3.07Å
128V35.3Very low45.6Very low80 Ų80131.6 Ų131.649%0.48566%0.662SS.*  trans-94.1117.6172.4178.50000108.7C126C126-V128 VanDerWaalsContact C-N 3.34Å; C126-V128 PolarHBondContact O-N 3.38Å
129S39.9Very low47.4Very low90 Ų90127 Ų12763%0.62965%0.646SS**  trans-62.4155.7-17660.10000113.9
130V47.7Very low49.1Very low97 Ų97122.5 Ų122.559%0.58862%0.62SS**  trans-102.695.3-177.7167.50000110.5E132V130-E132 HydrophobicContact CG1-CB 4.39Å
131E41.2Very low51.4Low146 Ų146118.6 Ų118.668%0.68261%0.608SS**  trans-99.6109.6151.7-94.766.1-14500107.5D133 R135E131-D133 PolarHBondContact O-N 3.4Å; E131-R135 PolarHBondContact O-NH1 2.93Å
132E54.5Low53.3Low169 Ų169111 Ų11179%0.7958%0.576SS**  trans-89.186.7-171-168.8173.1179.200113.9V130V130-E132 HydrophobicContact CG1-CB 4.39Å
133D47.4Very low55.1Low132 Ų132112.1 Ų112.171%0.70658%0.576SS**SBendtrans-151.1153150-150.6-44.1000110.9E131 R135E131-D133 PolarHBondContact O-N 3.4Å; D133-R135 VanDerWaalsContact C-N 3.33Å; D133-R135 PolarHBondContact O-N 3.26Å; D133-R135 VanDerWaalsContact O-N 3.09Å
134S50Low57.3Low110 Ų110107 Ų10777%0.76955%0.554SS**  trans58.225.5161.9-630000118.1Q136S134-Q136 PolarHBondContact O-N 2.79Å
135R57Low58.8Low81 Ų81108.1 Ų108.131%0.30655%0.553SS.*  trans-71.8114.6174.1-77.5-169.8-89.2-87.4-2.1112.8E131 D133 E137E131-R135 PolarHBondContact O-NH1 2.93Å; D133-R135 VanDerWaalsContact C-N 3.33Å; D133-R135 PolarHBondContact O-N 3.26Å; D133-R135 VanDerWaalsContact O-N 3.09Å; R135-E137 HydrophobicContact CB-CG 4.11Å
136Q66.2Low61.1Low130 Ų130106.3 Ų106.361%0.60755%0.547SS*.  trans-88.6107.8159.8-70.9-174.2-19.200109.1S134 L181S134-Q136 PolarHBondContact O-N 2.79Å; Q136-L181 HydrophobicContact CB-CD2 4.49Å
137E68.6Low63.1Low110 Ų110108 Ų10851%0.51455%0.549SS..EExtended strand (participates in β ladder)trans-100.1126.1-178.2-54.5-155.8147.900111.2R135 R182R135-E137 HydrophobicContact CB-CG 4.11Å; E137-R182 WeakPolarHBondContact OE1-CD 3.31Å; E137-R182 IonicContact OE1-CZ 3.92Å; E137-R182 IonicContact OE1-NE 3.49Å; E137-R182 IonicContact OE1-NH1 3.17Å; E137-R182 PolarHBondContact OE1-NH1 3.47Å
138W69.3Low65.1Low149 Ų149105.9 Ų105.956%0.56454%0.537SS*.EExtended strand (participates in β ladder)trans-117118.8179.1-63.581.7000108.9F140 R182 K184W138-F140 HydrophobicContact CB-CE2 3.85Å; W138-F140 HydrophobicContact CB-CZ 4.41Å; W138-R182 PolarHBondContact N-O 3.31Å; W138-K184 PolarHBondContact O-N 3.41Å; W138-K184 VanDerWaalsContact O-N 3.12Å
139T76Confident67.1Low82 Ų82104.2 Ų104.250%0.50354%0.536SS..EExtended strand (participates in β ladder)trans-103.3128.3176.8-63.20000109.5K184T139-K184 WeakPolarHBondContact CA-O 3.27Å
140F75.3Confident69Low71 Ų71105.3 Ų105.331%0.31153%0.53SS..EExtended strand (participates in β ladder)trans-115.9125.6176-65-90.2000109.5W138 I163 V183 K184 L185 T186W138-F140 HydrophobicContact CB-CE2 3.85Å; W138-F140 HydrophobicContact CB-CZ 4.41Å; F140-I163 HydrophobicContact CD1-CD1 4.49Å; F140-I163 HydrophobicContact CD2-CD1 3.88Å; F140-I163 HydrophobicContact CE1-CD1 4.46Å; F140-I163 HydrophobicContact CE2-CD1 3.85Å; F140-I163 HydrophobicContact CE2-CG1 4.37Å; F140-I163 HydrophobicContact CG-CD1 4.21Å; F140-I163 HydrophobicContact CZ-CD1 4.15Å; F140-I163 HydrophobicContact CZ-CG1 4.27Å; F140-V183 HydrophobicContact CD2-CG1 4.09Å; F140-V183 HydrophobicContact CE2-CG1 4.35Å; F140-K184 PolarHBondContact N-O 3.48Å; F140-L185 HydrophobicContact CB-CD1 4.48Å; F140-T186 PolarHBondContact O-N 2.99Å
141T82.2Confident70.8Confident68 Ų68102.4 Ų102.442%0.41751%0.512SS..EExtended strand (participates in β ladder)trans-97.5118.4169.5-53.30000108.3Y143 T186T141-Y143 HydrophobicContact CG2-CD2 4.38Å; T141-Y143 HydrophobicContact CG2-CE1 4.23Å; T141-Y143 HydrophobicContact CG2-CE2 3.75Å; T141-T186 WeakPolarHBondContact CA-O 3.3Å
142L80.2Confident73Confident21 Ų2197.4 Ų97.411%0.1149%0.491CS..EExtended strand (participates in β ladder)trans-93.3129.7176.5-17853000109.7F145 V151 D155 I156 L159 L185 T186L142-F145 HydrophobicContact CD1-CE2 4.15Å; L142-V151 HydrophobicContact CD2-CG1 3.54Å; L142-V151 HydrophobicContact CD2-CG2 4.41Å; L142-V151 HydrophobicContact CG-CG1 4.22Å; L142-V151 HydrophobicContact CG-CG2 4.2Å; L142-D155 HydrophobicContact CD2-CB 4.39Å; L142-I156 HydrophobicContact CD2-CG1 4.21Å; L142-L159 HydrophobicContact CB-CD2 4.27Å; L142-L159 HydrophobicContact CD1-CD2 4.39Å; L142-L159 HydrophobicContact CD2-CD2 4.01Å; L142-L159 HydrophobicContact CG-CD2 4.47Å; L142-L185 HydrophobicContact CB-CD1 3.96Å; L142-T186 PolarHBondContact N-O 2.92Å
143Y78.4Confident74.7Confident148 Ų14897.7 Ų97.758%0.5849%0.486SS*.  trans-107.5151.2-178.9-66.4-86.9000111.1T141 F145T141-Y143 HydrophobicContact CG2-CD2 4.38Å; T141-Y143 HydrophobicContact CG2-CE1 4.23Å; T141-Y143 HydrophobicContact CG2-CE2 3.75Å; Y143-F145 WeakPolarHBondContact O-CD2 3.24Å; Y143-F145 PolarHBondContact O-N 3.36Å
144D82.3Confident76.8Confident49 Ų4996.9 Ų96.926%0.26248%0.477SS..  trans-80.179.7-176.7-166.878.8000110.5D146 N147 N148 G149 K150D144-D146 VanDerWaalsContact C-N 3.29Å; D144-D146 PolarHBondContact O-N 3.41Å; D144-N147 PolarHBondContact O-N 3.21Å; D144-N147 WeakPolarHBondContact OD2-CA 3.44Å; D144-N147 PolarHBondContact OD2-N 3.49Å; D144-N148 PolarHBondContact OD2-N 3.19Å; D144-G149 PolarHBondContact OD1-N 3.21Å; D144-G149 WeakPolarHBondContact OD2-CA 3.39Å; D144-G149 PolarHBondContact OD2-N 3.28Å; D144-K150 PolarHBondContact OD1-N 3.33Å
145F75.4Confident78.7Confident170 Ų17094.9 Ų94.975%0.74646%0.458SS*.THydrogen-bonded Turntrans-66.5-25.7-170.8-69.4-74.2000114.6L142 Y143 N147L142-F145 HydrophobicContact CD1-CE2 4.15Å; Y143-F145 WeakPolarHBondContact O-CD2 3.24Å; Y143-F145 PolarHBondContact O-N 3.36Å; F145-N147 PolarHBondContact O-ND2 3.32Å
146D82Confident80.2Confident87 Ų8793.5 Ų93.547%0.46546%0.456SS..THydrogen-bonded Turntrans-93.6-3.6-18072-17.5000113.4D144 N148D144-D146 VanDerWaalsContact C-N 3.29Å; D144-D146 PolarHBondContact O-N 3.41Å; D146-N148 VanDerWaalsContact C-N 3.25Å; D146-N148 PolarHBondContact O-N 3.12Å; D146-N148 WeakPolarHBondContact OD1-CB 3.2Å; D146-N148 PolarHBondContact OD1-N 3.35Å; D146-N148 WeakPolarHBondContact OD2-CB 3.41Å; D146-N148 PolarHBondContact OD2-ND2 3.34Å
147N78.2Confident81.4Confident143 Ų14390.9 Ų90.977%0.76545%0.449SS*.  trans61.727-179-53.6-105.2000113.5D144 F145 G149D144-N147 PolarHBondContact O-N 3.21Å; D144-N147 WeakPolarHBondContact OD2-CA 3.44Å; D144-N147 PolarHBondContact OD2-N 3.49Å; F145-N147 PolarHBondContact O-ND2 3.32Å; N147-G149 VanDerWaalsContact C-N 3.26Å; N147-G149 PolarHBondContact O-N 3.16Å
148N80.2Confident82.4Confident91 Ų9189.1 Ų89.149%0.48745%0.449SS..SBendtrans-76.7-8174.6-106.7-53.4000114D144 D146 K150D144-N148 PolarHBondContact OD2-N 3.19Å; D146-N148 VanDerWaalsContact C-N 3.25Å; D146-N148 PolarHBondContact O-N 3.12Å; D146-N148 WeakPolarHBondContact OD1-CB 3.2Å; D146-N148 PolarHBondContact OD1-N 3.35Å; D146-N148 WeakPolarHBondContact OD2-CB 3.41Å; D146-N148 PolarHBondContact OD2-ND2 3.34Å; N148-K150 VanDerWaalsContact C-N 3.25Å; N148-K150 HydrophobicContact CB-CD 4.22Å; N148-K150 HydrophobicContact CB-CG 4.1Å; N148-K150 PolarHBondContact O-N 3.07Å; N148-K150 PolarHBondContact OD1-NZ 3.17Å
149G77.4Confident83.4Confident45 Ų4584 Ų8446%0.46443%0.433SS..SBendtrans67.822.1-174.400000113.6D144 N147D144-G149 PolarHBondContact OD1-N 3.21Å; D144-G149 WeakPolarHBondContact OD2-CA 3.39Å; D144-G149 PolarHBondContact OD2-N 3.28Å; N147-G149 VanDerWaalsContact C-N 3.26Å; N147-G149 PolarHBondContact O-N 3.16Å
150K80.5Confident84.1Confident113 Ų11382.9 Ų82.949%0.49142%0.423SS..SBendtrans-156117-176.576.5-150.5179.6-139.80110.7D144 N148 T152D144-K150 PolarHBondContact OD1-N 3.33Å; N148-K150 VanDerWaalsContact C-N 3.25Å; N148-K150 HydrophobicContact CB-CD 4.22Å; N148-K150 HydrophobicContact CB-CG 4.1Å; N148-K150 PolarHBondContact O-N 3.07Å; N148-K150 PolarHBondContact OD1-NZ 3.17Å; K150-T152 PolarHBondContact O-N 3.29Å
151V84.8Confident84.9Confident36 Ų3685.3 Ų85.322%0.21844%0.435CS..  trans-67.7126.2163.9173.70000108.6L142 D155 I156 V187L142-V151 HydrophobicContact CD2-CG1 3.54Å; L142-V151 HydrophobicContact CD2-CG2 4.41Å; L142-V151 HydrophobicContact CG-CG1 4.22Å; L142-V151 HydrophobicContact CG-CG2 4.2Å; V151-D155 HydrophobicContact CG1-CB 4.19Å; V151-I156 HydrophobicContact CG1-CD1 3.85Å; V151-I156 HydrophobicContact CG1-CG1 3.56Å; V151-V187 HydrophobicContact CB-CG1 4.3Å; V151-V187 HydrophobicContact CG2-CG1 3.84Å; V151-V187 HydrophobicContact CG2-CG2 4.49Å
152T87.6Confident85.4Confident40 Ų4086 Ų8625%0.24544%0.439CS..  trans-82167.7178.572.20000111.8K150 E154 D155 I156K150-T152 PolarHBondContact O-N 3.29Å; T152-E154 WeakPolarHBondContact CB-OE2 3.43Å; T152-E154 PolarHBondContact O-N 3.41Å; T152-E154 PolarHBondContact OG1-N 2.96Å; T152-D155 VanDerWaalsContact CB-OD2 3.29Å; T152-D155 WeakPolarHBondContact CB-OD2 3.09Å; T152-D155 WeakPolarHBondContact CG2-OD2 3.11Å; T152-D155 PolarHBondContact N-OD2 3.46Å; T152-D155 PolarHBondContact OG1-N 3.34Å; T152-D155 VanDerWaalsContact OG1-N 3.11Å; T152-D155 PolarHBondContact OG1-OD2 2.78Å; T152-I156 WeakPolarHBondContact O-CG1 3.07Å; T152-I156 PolarHBondContact O-N 3.43Å
153R90.2Very high85.8Confident176 Ų17686 Ų8666%0.66444%0.439SS*.Hα-helixtrans-63.2-38.2172.1170.4-174.7-64.6-89.7-3.1109.7I156 T157R153-I156 PolarHBondContact O-N 2.78Å; R153-T157 HydrophobicContact CG-CG2 4.36Å; R153-T157 WeakPolarHBondContact O-CG2 3.49Å; R153-T157 PolarHBondContact O-N 3.08Å; R153-T157 PolarHBondContact O-OG1 3.41Å
154E91.9Very high86.2Confident114 Ų11486.7 Ų86.753%0.53344%0.442SS..Hα-helixtrans-62.6-46.8-175.6-65.558.7-135.200109.5T152 I156 T157 S158T152-E154 WeakPolarHBondContact CB-OE2 3.43Å; T152-E154 PolarHBondContact O-N 3.41Å; T152-E154 PolarHBondContact OG1-N 2.96Å; E154-I156 PolarHBondContact O-N 3.39Å; E154-T157 WeakPolarHBondContact CA-OG1 3.02Å; E154-T157 PolarHBondContact O-N 3.44Å; E154-T157 PolarHBondContact O-OG1 3.45Å; E154-S158 PolarHBondContact O-N 3.25Å; E154-S158 PolarHBondContact O-OG 2.92Å; E154-S158 VanDerWaalsContact O-OG 3.1Å
155D88.1Confident86.6Confident69 Ų6990.1 Ų90.137%0.36946%0.456SS..Hα-helixtrans-58.3-45.9174.4-56.6-51.2000112.5L142 V151 T152 S158 L159L142-D155 HydrophobicContact CD2-CB 4.39Å; V151-D155 HydrophobicContact CG1-CB 4.19Å; T152-D155 VanDerWaalsContact CB-OD2 3.29Å; T152-D155 WeakPolarHBondContact CB-OD2 3.09Å; T152-D155 WeakPolarHBondContact CG2-OD2 3.11Å; T152-D155 PolarHBondContact N-OD2 3.46Å; T152-D155 PolarHBondContact OG1-N 3.34Å; T152-D155 VanDerWaalsContact OG1-N 3.11Å; T152-D155 PolarHBondContact OG1-OD2 2.78Å; D155-S158 PolarHBondContact O-N 2.69Å; D155-L159 WeakPolarHBondContact O-CB 3.21Å; D155-L159 PolarHBondContact O-N 2.85Å
156I90.5Very high87.2Confident51 Ų5186.1 Ų86.126%0.26245%0.445SS..Hα-helixtrans-63.1-43.9178-65.2169.4000110.1L142 V151 T152 R153 E154 L159 L160 L185L142-I156 HydrophobicContact CD2-CG1 4.21Å; V151-I156 HydrophobicContact CG1-CD1 3.85Å; V151-I156 HydrophobicContact CG1-CG1 3.56Å; T152-I156 WeakPolarHBondContact O-CG1 3.07Å; T152-I156 PolarHBondContact O-N 3.43Å; R153-I156 PolarHBondContact O-N 2.78Å; E154-I156 PolarHBondContact O-N 3.39Å; I156-L159 PolarHBondContact O-N 2.57Å; I156-L160 HydrophobicContact CG2-CD1 3.92Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CB 3.24Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 2.92Å; I156-L160 PolarHBondContact O-N 2.87Å; I156-L185 HydrophobicContact CG1-CD2 4.26Å; I156-L185 HydrophobicContact CG2-CD2 3.85Å
157T90.4Very high87.3Confident75 Ų7584.1 Ų84.146%0.4644%0.436SS..Hα-helixtrans-67.4-35.4177.253.20000112.8R153 E154 H161R153-T157 HydrophobicContact CG-CG2 4.36Å; R153-T157 WeakPolarHBondContact O-CG2 3.49Å; R153-T157 PolarHBondContact O-N 3.08Å; R153-T157 PolarHBondContact O-OG1 3.41Å; E154-T157 WeakPolarHBondContact CA-OG1 3.02Å; E154-T157 PolarHBondContact O-N 3.44Å; E154-T157 PolarHBondContact O-OG1 3.45Å; T157-H161 VanDerWaalsContact O-CB 3.29Å; T157-H161 WeakPolarHBondContact O-CB 3.48Å; T157-H161 PolarHBondContact O-N 3.36Å
158S90.4Very high87.5Confident73 Ų7382.1 Ų82.151%0.5143%0.426SS..Hα-helixtrans-66.1-46.8174.5-64.60000111.5E154 D155 L160 H161 T162E154-S158 PolarHBondContact O-N 3.25Å; E154-S158 PolarHBondContact O-OG 2.92Å; E154-S158 VanDerWaalsContact O-OG 3.1Å; D155-S158 PolarHBondContact O-N 2.69Å; S158-L160 PolarHBondContact O-N 3.17Å; S158-H161 PolarHBondContact O-N 3.26Å; S158-T162 PolarHBondContact O-N 3.42Å; S158-T162 PolarHBondContact O-OG1 3.02Å
159L89.9Confident87.6Confident43 Ų4382.4 Ų82.423%0.22544%0.435CS..Hα-helixtrans-58.9-47.4175.217660.7000111.5L142 D155 I156 T162 I163 L185L142-L159 HydrophobicContact CB-CD2 4.27Å; L142-L159 HydrophobicContact CD1-CD2 4.39Å; L142-L159 HydrophobicContact CD2-CD2 4.01Å; L142-L159 HydrophobicContact CG-CD2 4.47Å; D155-L159 WeakPolarHBondContact O-CB 3.21Å; D155-L159 PolarHBondContact O-N 2.85Å; I156-L159 PolarHBondContact O-N 2.57Å; L159-T162 PolarHBondContact O-N 2.99Å; L159-I163 HydrophobicContact CD1-CD1 3.9Å; L159-I163 HydrophobicContact CD1-CG1 4.3Å; L159-I163 HydrophobicContact CG-CD1 3.91Å; L159-I163 VanDerWaalsContact O-CG1 3.3Å; L159-I163 WeakPolarHBondContact O-CG1 3.43Å; L159-I163 PolarHBondContact O-N 3.16Å; L159-L185 HydrophobicContact CD2-CD1 3.64Å
160L90.4Very high87.2Confident57 Ų5783.9 Ų83.930%0.29844%0.438SS..Hα-helixtrans-63-42.1177.5-72.7172.7000111.9I156 S158 T162 I163 Y164I156-L160 HydrophobicContact CG2-CD1 3.92Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CB 3.24Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 2.92Å; I156-L160 PolarHBondContact O-N 2.87Å; S158-L160 PolarHBondContact O-N 3.17Å; L160-T162 PolarHBondContact O-N 3.47Å; L160-I163 PolarHBondContact O-N 2.77Å; L160-Y164 HydrophobicContact CB-CD2 4.43Å; L160-Y164 HydrophobicContact CB-CE2 4.32Å; L160-Y164 WeakPolarHBondContact O-CD2 3.45Å; L160-Y164 PolarHBondContact O-N 3.36Å
161H91.6Very high86.8Confident123 Ų12380.6 Ų80.657%0.56943%0.427SS*.Hα-helixtrans-59.9-45.4176.2-171.1-61.7000111.7T157 S158 I163 Y164 E165T157-H161 VanDerWaalsContact O-CB 3.29Å; T157-H161 WeakPolarHBondContact O-CB 3.48Å; T157-H161 PolarHBondContact O-N 3.36Å; S158-H161 PolarHBondContact O-N 3.26Å; H161-I163 PolarHBondContact O-N 3.21Å; H161-Y164 PolarHBondContact O-N 3.38Å; H161-E165 IonicContact CE1-OE2 3.19Å; H161-E165 IonicContact ND1-OE2 2.72Å; H161-E165 WeakPolarHBondContact O-CB 3.21Å; H161-E165 PolarHBondContact O-N 2.99Å
162T92.5Very high85.7Confident81 Ų8185.4 Ų85.450%0.49745%0.452SS..Hα-helixtrans-63.3-40.4175.7-56.30000111.9S158 L159 L160 V166S158-T162 PolarHBondContact O-N 3.42Å; S158-T162 PolarHBondContact O-OG1 3.02Å; L159-T162 PolarHBondContact O-N 2.99Å; L160-T162 PolarHBondContact O-N 3.47Å; T162-V166 HydrophobicContact CG2-CG2 4.48Å; T162-V166 WeakPolarHBondContact O-CB 3.49Å; T162-V166 VanDerWaalsContact O-CG2 3.31Å; T162-V166 WeakPolarHBondContact O-CG2 3.48Å; T162-V166 PolarHBondContact O-N 2.91Å
163I88.3Confident84.3Confident21 Ų2190.2 Ų90.211%0.10847%0.471CS..Hα-helixtrans-63.1-46.3175.5-69.5166.9000110.5F140 L159 L160 H161 V166 V167 V183F140-I163 HydrophobicContact CD1-CD1 4.49Å; F140-I163 HydrophobicContact CD2-CD1 3.88Å; F140-I163 HydrophobicContact CE1-CD1 4.46Å; F140-I163 HydrophobicContact CE2-CD1 3.85Å; F140-I163 HydrophobicContact CE2-CG1 4.37Å; F140-I163 HydrophobicContact CG-CD1 4.21Å; F140-I163 HydrophobicContact CZ-CD1 4.15Å; F140-I163 HydrophobicContact CZ-CG1 4.27Å; L159-I163 HydrophobicContact CD1-CD1 3.9Å; L159-I163 HydrophobicContact CD1-CG1 4.3Å; L159-I163 HydrophobicContact CG-CD1 3.91Å; L159-I163 VanDerWaalsContact O-CG1 3.3Å; L159-I163 WeakPolarHBondContact O-CG1 3.43Å; L159-I163 PolarHBondContact O-N 3.16Å; L160-I163 PolarHBondContact O-N 2.77Å; H161-I163 PolarHBondContact O-N 3.21Å; I163-V166 PolarHBondContact O-N 3.32Å; I163-V167 HydrophobicContact CG2-CG2 4.21Å; I163-V167 VanDerWaalsContact O-CB 3.29Å; I163-V167 WeakPolarHBondContact O-CB 3.44Å; I163-V167 WeakPolarHBondContact O-CG2 3.36Å; I163-V167 PolarHBondContact O-N 3.28Å; I163-V183 HydrophobicContact CD1-CG1 4.2Å; I163-V183 HydrophobicContact CG2-CG2 4.11Å
164Y87.5Confident82.5Confident163 Ų16385 Ų8564%0.63946%0.462SS*.Hα-helixtrans-61.6-46.1177.7-77.9-61.5000112.2L160 H161 V166 V167 D168L160-Y164 HydrophobicContact CB-CD2 4.43Å; L160-Y164 HydrophobicContact CB-CE2 4.32Å; L160-Y164 WeakPolarHBondContact O-CD2 3.45Å; L160-Y164 PolarHBondContact O-N 3.36Å; H161-Y164 PolarHBondContact O-N 3.38Å; Y164-V166 PolarHBondContact O-N 3.43Å; Y164-V167 PolarHBondContact O-N 3.4Å; Y164-D168 VanDerWaalsContact O-CB 3.24Å; Y164-D168 WeakPolarHBondContact O-CB 3.45Å; Y164-D168 PolarHBondContact O-N 3.11Å
165E90.6Very high80.8Confident122 Ų12286 Ų8657%0.5748%0.478SS*.Hα-helixtrans-61.7-41.2179.1-173.9179.7165.100112.6H161 S169H161-E165 IonicContact CE1-OE2 3.19Å; H161-E165 IonicContact ND1-OE2 2.72Å; H161-E165 WeakPolarHBondContact O-CB 3.21Å; H161-E165 PolarHBondContact O-N 2.99Å; E165-S169 WeakPolarHBondContact O-CB 3.29Å; E165-S169 PolarHBondContact O-N 3.1Å; E165-S169 VanDerWaalsContact O-N 3.15Å; E165-S169 PolarHBondContact O-OG 2.94Å
166V88.6Confident78.8Confident85 Ų8589.1 Ų89.152%0.51550%0.5SS..Hα-helixtrans-72.7-34.9176.5173.60000111.9T162 I163 Y164 S169 S170T162-V166 HydrophobicContact CG2-CG2 4.48Å; T162-V166 WeakPolarHBondContact O-CB 3.49Å; T162-V166 VanDerWaalsContact O-CG2 3.31Å; T162-V166 WeakPolarHBondContact O-CG2 3.48Å; T162-V166 PolarHBondContact O-N 2.91Å; I163-V166 PolarHBondContact O-N 3.32Å; Y164-V166 PolarHBondContact O-N 3.43Å; V166-S169 PolarHBondContact O-OG 3.39Å; V166-S170 VanDerWaalsContact O-CB 3.23Å; V166-S170 WeakPolarHBondContact O-CB 3.49Å; V166-S170 PolarHBondContact O-N 3.19Å; V166-S170 VanDerWaalsContact O-N 3.16Å; V166-S170 PolarHBondContact O-OG 3.02Å
167V84.3Confident77Confident45 Ų4589.1 Ų89.127%0.27350%0.504SS..Hα-helixtrans-69.9-46.4175.8165.70000111.2I163 Y164 S169 S170 V171 L181I163-V167 HydrophobicContact CG2-CG2 4.21Å; I163-V167 VanDerWaalsContact O-CB 3.29Å; I163-V167 WeakPolarHBondContact O-CB 3.44Å; I163-V167 WeakPolarHBondContact O-CG2 3.36Å; I163-V167 PolarHBondContact O-N 3.28Å; Y164-V167 PolarHBondContact O-N 3.4Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 3Å; V167-S170 PolarHBondContact O-N 3.48Å; V167-S170 PolarHBondContact O-OG 3.14Å; V167-V171 HydrophobicContact CG1-CG2 4Å; V167-V171 WeakPolarHBondContact O-CB 3.41Å; V167-V171 WeakPolarHBondContact O-CG2 3.42Å; V167-V171 PolarHBondContact O-N 3.41Å; V167-L181 HydrophobicContact CB-CD1 4.37Å; V167-L181 HydrophobicContact CG1-CD1 3.74Å; V167-L181 HydrophobicContact CG2-CD1 3.64Å
168D82.4Confident75.4Confident102 Ų10291.2 Ų91.255%0.54552%0.522SS..Hα-helixtrans-57.9-47.4178.2-16668.8000110.6Y164 S170 H173Y164-D168 VanDerWaalsContact O-CB 3.24Å; Y164-D168 WeakPolarHBondContact O-CB 3.45Å; Y164-D168 PolarHBondContact O-N 3.11Å; D168-S170 PolarHBondContact O-N 2.99Å; D168-H173 PolarHBondContact O-CE1 3.39Å; D168-H173 VanDerWaalsContact O-CE1 3.24Å; D168-H173 PolarHBondContact O-NE2 3.44Å; D168-H173 IonicContact OD1-CE1 3.55Å; D168-H173 PolarHBondContact OD1-CE1 3.34Å; D168-H173 VanDerWaalsContact OD1-CE1 3.28Å; D168-H173 IonicContact OD1-NE2 2.72Å
169S80.8Confident74Confident97 Ų9795 Ų9568%0.67853%0.529SS*.Hα-helixtrans-74.5-14.4179.157.80000115.8E165 V166 V167E165-S169 WeakPolarHBondContact O-CB 3.29Å; E165-S169 PolarHBondContact O-N 3.1Å; E165-S169 VanDerWaalsContact O-N 3.15Å; E165-S169 PolarHBondContact O-OG 2.94Å; V166-S169 PolarHBondContact O-OG 3.39Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 3Å
170S70.9Confident72.6Confident76 Ų76101 Ų10153%0.53156%0.558SS.*Hα-helixtrans-109.6-24.4-179.163.90000114.7V166 V167 D168 N172V166-S170 VanDerWaalsContact O-CB 3.23Å; V166-S170 WeakPolarHBondContact O-CB 3.49Å; V166-S170 PolarHBondContact O-N 3.19Å; V166-S170 VanDerWaalsContact O-N 3.16Å; V166-S170 PolarHBondContact O-OG 3.02Å; V167-S170 PolarHBondContact O-N 3.48Å; V167-S170 PolarHBondContact O-OG 3.14Å; D168-S170 PolarHBondContact O-N 2.99Å; S170-N172 PolarHBondContact O-N 3.23Å
171V71.9Confident71.6Confident43 Ų43101 Ų10126%0.26156%0.558SS.*SBendtrans-89.896.8176.4-179.40000109.7V167 H173 L181V167-V171 HydrophobicContact CG1-CG2 4Å; V167-V171 WeakPolarHBondContact O-CB 3.41Å; V167-V171 WeakPolarHBondContact O-CG2 3.42Å; V167-V171 PolarHBondContact O-N 3.41Å; V171-H173 PolarHBondContact O-N 2.72Å; V171-L181 HydrophobicContact CG2-CD1 4.41Å
172N61.4Low70.5Confident138 Ų13899.9 Ų99.974%0.73855%0.549SS*.  trans-42.5111.6174.1-71.3-94.3000112.2S170 S174S170-N172 PolarHBondContact O-N 3.23Å; N172-S174 PolarHBondContact O-N 3.44Å
173H56.9Low69.4Low140 Ų14098.9 Ų98.965%0.64854%0.543SS*.  trans-70.861.9-178.3-47.2-70.9000113.5D168 V171 P175D168-H173 PolarHBondContact O-CE1 3.39Å; D168-H173 VanDerWaalsContact O-CE1 3.24Å; D168-H173 PolarHBondContact O-NE2 3.44Å; D168-H173 IonicContact OD1-CE1 3.55Å; D168-H173 PolarHBondContact OD1-CE1 3.34Å; D168-H173 VanDerWaalsContact OD1-CE1 3.28Å; D168-H173 IonicContact OD1-NE2 2.72Å; V171-H173 PolarHBondContact O-N 2.72Å; H173-P175 WeakPolarHBondContact O-CD 3.45Å
174S53.3Low68.7Low68 Ų68103.8 Ų103.848%0.47656%0.564SS.*  trans-75.3118166.1-66.60000108.3N172 T176 S177N172-S174 PolarHBondContact O-N 3.44Å; S174-T176 PolarHBondContact O-N 2.69Å; S174-S177 PolarHBondContact O-N 2.86Å; S174-S177 VanDerWaalsContact O-N 3.12Å
175P55.4Low68.2Low134 Ų13498.5 Ų98.587%0.8755%0.546SS*.THydrogen-bonded Turntrans-72.427.9-175.432.2-37.8000113.5H173H173-P175 WeakPolarHBondContact O-CD 3.45Å
176T46Very low67.4Low135 Ų13595.6 Ų95.683%0.82854%0.537SS*.THydrogen-bonded Turntrans-140-1.5-177.6-35.30000111.6S174S174-T176 PolarHBondContact O-N 2.69Å
177S53.8Low66.5Low50 Ų5094.7 Ų94.735%0.3553%0.531SS..  trans-127.778.1177.766.80000111.9S174 K179S174-S177 PolarHBondContact O-N 2.86Å; S174-S177 VanDerWaalsContact O-N 3.12Å; S177-K179 VanDerWaalsContact C-N 3.29Å; S177-K179 PolarHBondContact O-N 3.19Å
178S55.7Low65.4Low120 Ų12095.4 Ų95.484%0.83954%0.542SS*.  trans-69.778.1176-54.30000111.9M180S178-M180 PolarHBondContact O-N 3.15Å
179K62Low64.1Low151 Ų15196.5 Ų96.566%0.65756%0.555SS**  trans-79.9101176.4-66.7-177.6-180-177.80110.3S177S177-K179 VanDerWaalsContact C-N 3.29Å; S177-K179 PolarHBondContact O-N 3.19Å
180M61.4Low62.5Low170 Ų17096 Ų9684%0.83754%0.541SS*.  trans-79.7120.8172.3-63.8-169.6-67.200110.4S178S178-M180 PolarHBondContact O-N 3.15Å
181L67.6Low61.4Low57 Ų5795.9 Ų95.930%0.29855%0.552SS.*  trans-91.7128.5172-62.1-178.9000109.9Q136 V167 V171 V183Q136-L181 HydrophobicContact CB-CD2 4.49Å; V167-L181 HydrophobicContact CB-CD1 4.37Å; V167-L181 HydrophobicContact CG1-CD1 3.74Å; V167-L181 HydrophobicContact CG2-CD1 3.64Å; V171-L181 HydrophobicContact CG2-CD1 4.41Å; L181-V183 PolarHBondContact O-N 3.37Å
182R69.2Low60.5Low99 Ų9997.8 Ų97.837%0.37457%0.568SS.*EExtended strand (participates in β ladder)trans-88.9105.5171.6-65.2-177.982.7-151.914.3108.9E137 W138E137-R182 WeakPolarHBondContact OE1-CD 3.31Å; E137-R182 IonicContact OE1-CZ 3.92Å; E137-R182 IonicContact OE1-NE 3.49Å; E137-R182 IonicContact OE1-NH1 3.17Å; E137-R182 PolarHBondContact OE1-NH1 3.47Å; W138-R182 PolarHBondContact N-O 3.31Å
183V69.6Low59.9Low61 Ų6199 Ų9937%0.3757%0.569SS.*EExtended strand (participates in β ladder)trans-91.8113.2173.2-179.30000108.2F140 I163 L181F140-V183 HydrophobicContact CD2-CG1 4.09Å; F140-V183 HydrophobicContact CE2-CG1 4.35Å; I163-V183 HydrophobicContact CD1-CG1 4.2Å; I163-V183 HydrophobicContact CG2-CG2 4.11Å; L181-V183 PolarHBondContact O-N 3.37Å
184K74.6Confident59.1Low124 Ų12496.8 Ų96.854%0.53957%0.569SS.*EExtended strand (participates in β ladder)trans-103.5105171.5-167.3-177.969.5-178.80109.6W138 T139 F140W138-K184 PolarHBondContact O-N 3.41Å; W138-K184 VanDerWaalsContact O-N 3.12Å; T139-K184 WeakPolarHBondContact CA-O 3.27Å; F140-K184 PolarHBondContact N-O 3.48Å
185L77.2Confident59Low52 Ų52101.9 Ų101.927%0.27258%0.583SS.*EExtended strand (participates in β ladder)trans-80136.8168.2-178.858.2000109.3F140 L142 I156 L159F140-L185 HydrophobicContact CB-CD1 4.48Å; L142-L185 HydrophobicContact CB-CD1 3.96Å; I156-L185 HydrophobicContact CG1-CD2 4.26Å; I156-L185 HydrophobicContact CG2-CD2 3.85Å; L159-L185 HydrophobicContact CD2-CD1 3.64Å
186T73.6Confident58.9Low60 Ų60107.3 Ų107.337%0.36859%0.586SS.*EExtended strand (participates in β ladder)trans-132.3123.4170.5-59.40000109.1F140 T141 L142F140-T186 PolarHBondContact O-N 2.99Å; T141-T186 WeakPolarHBondContact CA-O 3.3Å; L142-T186 PolarHBondContact N-O 2.92Å
187V69.4Low58.5Low66 Ų66105.4 Ų105.440%0.458%0.578SS.*EExtended strand (participates in β ladder)trans-91.9132.9171179.40000107.3V151 P189V151-V187 HydrophobicContact CB-CG1 4.3Å; V151-V187 HydrophobicContact CG2-CG1 3.84Å; V151-V187 HydrophobicContact CG2-CG2 4.49Å; V187-P189 WeakPolarHBondContact O-CD 3.4Å
188A61.4Low58.2Low61 Ų61109.9 Ų109.950%0.50460%0.597SS.*PPolyproline II helixtrans-66.5123.6175.300000109.8E190A188-E190 PolarHBondContact O-N 3.1Å
189P55.1Low57.7Low125 Ų125112.1 Ų112.181%0.81260%0.598SS**PPolyproline II helixtrans-71.6127.4-179.428.1-33.5000110.8V187 G191V187-P189 WeakPolarHBondContact O-CD 3.4Å; P189-G191 PolarHBondContact O-N 3.05Å
190E46.7Very low57Low85 Ų85111.3 Ų111.340%0.39761%0.605SS.*PPolyproline II helixtrans-62.6128.1-177.3-131.3-67.583.200111.7A188 S192A188-E190 PolarHBondContact O-N 3.1Å; E190-S192 PolarHBondContact O-N 2.95Å; E190-S192 WeakPolarHBondContact OE2-CB 3.29Å
191G48.3Very low56Low74 Ų74111.2 Ų111.276%0.76361%0.608SS**THydrogen-bonded Turntrans-75.617.6-168.500000115.4P189P189-G191 PolarHBondContact O-N 3.05Å
192S51.6Low54.9Low83 Ų83117.9 Ų117.958%0.5864%0.638SS**THydrogen-bonded Turntrans-122.7-11.4-155.5-164.80000114.4E190E190-S192 PolarHBondContact O-N 2.95Å; E190-S192 WeakPolarHBondContact OE2-CB 3.29Å
193Q48.8Very low53.3Low165 Ų165118.3 Ų118.377%0.77166%0.663SS**  trans-105.127.4-162-63.6-70.9-14.600116.1
194S41Very low51.7Low92 Ų92122.6 Ų122.664%0.64368%0.683SS**  trans-144.673.1179-1610000116.5
195K50.8Low50.3Low176 Ų176124.3 Ų124.377%0.76570%0.698SS**SBendtrans-139.317.5158.4-77.3-169.2177.1171.20113.9
196R53.5Low48.3Very low247 Ų247131.1 Ų131.193%0.93273%0.728SS**SBendtrans-139.519.2-176.5-69.1-162.5-71.2172.9-3.5116
197S37.4Very low46.3Very low95 Ų95133.1 Ų133.166%0.66475%0.745SS**SBendtrans-11422.5-179.950.30000113.9
198I46.4Very low44.5Very low145 Ų145135.9 Ų135.974%0.74476%0.762SS**SBendtrans-125149.6174.9-54176.9000107.3
199L46.3Very low43.4Very low167 Ų167144.7 Ų144.787%0.87478%0.782SS**SBendtrans85.412.1-177.8-48.9-179.4000118.3
200V48.1Very low42.8Very low133 Ų133144.8 Ų144.881%0.80678%0.783SS**SBendtrans-133.376.4163.8-172.20000110.5
201N40.3Very low42.1Very low168 Ų168151.4 Ų151.490%0.89880%0.804SS**SBendtrans177.961.1158.9-96.8-37.6000111.9
202Q43.1Very low41.3Very low198 Ų198152.6 Ų152.693%0.92581%0.807SS**SBendtrans-157.747.2170.7-158.3178.490.400113.2
203A35.4Very low40.6Very low107 Ų107156.3 Ų156.388%0.88482%0.815SS**  trans-155.335.5-176.400000115.9
204D36.2Very low39.8Very low151 Ų151155.3 Ų155.381%0.80782%0.82SS**  trans-14762170.7-16513.2000113.7
205L46Very low39.7Very low160 Ų160160.3 Ų160.384%0.83883%0.83SS**SBendtrans-15773.1159.1-83-167.9000110.7
206Q35.4Very low39.2Very low196 Ų196157.3 Ų157.392%0.91683%0.829SS**  trans177.7152.8140.8-104.4165.191.700116
207S31.5Very low38.1Very low102 Ų102150.6 Ų150.671%0.71382%0.815SS**  trans67.895.3155-151.80000120.1
208T31.4Very low38Very low123 Ų123153.5 Ų153.576%0.75582%0.818SS**  11.3129.9125.740.60000120
209R38.5Very low37.7Very low247 Ų247155.4 Ų155.493%0.93282%0.824SS**  trans-42.7148.4163.4-72.4177.8168.3170.9-3.5113.1
210P42.2Very low37.1Very low127 Ų127153.3 Ų153.383%0.82581%0.813SS**  -129.9159.297.337.3-31.3000116.1
211R32.5Very low36.4Very low224 Ų224157.6 Ų157.685%0.84582%0.815SS**  trans-65.5134.4175.3161.7-162-178.9-168.73113
212A31.7Very low36.1Very low99 Ų99155.4 Ų155.482%0.81881%0.813SS**  trans-154.3150.8149.800000110.1
213E35.6Very low35.3Very low161 Ų161156.2 Ų156.275%0.75281%0.807SS**  trans-102.5147.2174.5-65168.576.400109.7
214T32.9Very low35.1Very low144 Ų144156.1 Ų156.188%0.88379%0.789SS**  trans174.7137.9134.926.20000113.3
215K37.9Very low35.1Very low197 Ų197156.4 Ų156.486%0.85778%0.783SS**  trans-120.8170.1142.6-70.8-172.9177.8-1770104.9
216P41.8Very low34.8Very low113 Ų113158.8 Ų158.873%0.73479%0.786SS**  cis-144.1-15520.430.5-2.7000114.3
217T29.3Very low35.2Very low106 Ų106158.9 Ų158.965%0.6579%0.787SS**  trans96.3119.7141.4-61.90000120.7
218E35.5Very low35.5Very low156 Ų156165.8 Ų165.873%0.72980%0.797SS**  trans54.3164.5154.5-68175.6107.400118.7
219E39.1Very low35.5Very low185 Ų185164.1 Ų164.186%0.86480%0.796SS**  cis-121.3158.39.2-52-170.3117.900110.5
220L34.7Very low36.1Very low123 Ų123158.5 Ų158.564%0.64479%0.791SS**  cis97.4100.523.8-149.8105.7000116.2
221R33.9Very low35.9Very low223 Ų223158.9 Ų158.984%0.84279%0.786SS**  trans81.5122.9163.7-54.2-170.2-65.4165.8-3121.7
222S33.5Very low36.4Very low122 Ų122158 Ų15885%0.85378%0.782SS**  176.680.112733.40000109.9
223W25.8Very low37Very low214 Ų214163.1 Ų163.181%0.81179%0.786SS**  67.48884.3-164.9-108.9000117.4
224E31.4Very low37Very low105 Ų105163.5 Ų163.549%0.49179%0.788SS.*  trans53.8149.5130.2-139.5-146.329.800124
225K35.4Very low37Very low157 Ų157160.4 Ų160.468%0.68379%0.785SS**  trans76.786.8146-112.7-169.5-155.677.10119.4
226K41.3Very low36.9Very low211 Ų211156.7 Ų156.792%0.91778%0.775SS**  -153.8120110.9-116.4166.6-174.4168.70112.1
227Q43.7Very low37.1Very low198 Ų198157 Ų15793%0.92578%0.779SS**  trans-84139.6162.2-75.5-166.4-18.200110
228R36.8Very low38Very low247 Ų247163 Ų16393%0.93279%0.79SS**  trans-143155.3148.7-150.3165.8-168.5159.85.7109
229A32Very low38.4Very low87 Ų87162.7 Ų162.772%0.71979%0.793SS**  trans-65.7148.7-159.100000114.8
230P51Low38.7Very low129 Ų129163.3 Ų163.384%0.83880%0.796SS**  trans-80.1123-179.731.9-33.8000111.8
231L37.7Very low39.1Very low136 Ų136165.1 Ų165.171%0.71280%0.801SS**  trans-152.4118.2168-102.2167.8000111.5
232R42.6Very low39.6Very low206 Ų206158.7 Ų158.778%0.77779%0.79SS**SBendtrans75.2127153-59.3-141.2170.792.24.4119.7
233F45.6Very low40.2Very low205 Ų205154.9 Ų154.990%0.89977%0.77SS**  trans57.482.1157.4-76.5-98.7000118
234Q35.7Very low41.4Very low169 Ų169149.8 Ų149.879%0.7977%0.766SS**  trans-132.4107138.7-172.4164.915.400108.4D236Q234-D236 WeakPolarHBondContact CG-OD2 3.46Å; Q234-D236 PolarHBondContact NE2-OD2 3.23Å
235G32.3Very low42.3Very low79 Ų79153 Ų15381%0.81478%0.775SS**  trans-126.288.6173.400000107.2
236D35.2Very low43.2Very low120 Ų120151.6 Ų151.664%0.64277%0.77SS**  trans-67.1154.2-169.2-98.9-68.6000113.5Q234 R238Q234-D236 WeakPolarHBondContact CG-OD2 3.46Å; Q234-D236 PolarHBondContact NE2-OD2 3.23Å; D236-R238 VanDerWaalsContact C-N 3.27Å; D236-R238 PolarHBondContact O-N 3.48Å
237S47.4Very low43.9Very low119 Ų119147 Ų14783%0.83275%0.752SS**SBendtrans-71.873.6-179.3580000112.6
238R46.9Very low44.7Very low232 Ų232141.6 Ų141.688%0.87574%0.735SS**  trans-152.6102.2167.4-88.3-169.5175.7-122.90.9111.3D236D236-R238 VanDerWaalsContact C-N 3.27Å; D236-R238 PolarHBondContact O-N 3.48Å
239L45Very low45.7Very low150 Ų150133.8 Ų133.879%0.78571%0.714SS**  trans-172.917.5139.8-106165.6000115.1Q241L239-Q241 PolarHBondContact O-N 2.94Å
240E45.6Very low47.6Very low198 Ų198132.8 Ų132.893%0.92570%0.697SS**THydrogen-bonded Turntrans-75.262.9176-159179.5172.200112.2
241Q41.7Very low49Very low161 Ų161130 Ų13075%0.75267%0.673SS**THydrogen-bonded Turntrans-138.98.3171.9-135.3170.5113.700112.5L239L239-Q241 PolarHBondContact O-N 2.94Å
242S44.1Very low51.1Low87 Ų87128.6 Ų128.661%0.60867%0.666SS**SBendtrans-93-10.4173.3-57.80000113.8C244S242-C244 PolarHBondContact O-N 3.29Å
243G47.5Very low53.1Low42 Ų42122.6 Ų122.643%0.43365%0.649SS.*Hα-helixtrans-64.1-38.4-165.400000115.7Y245 H246 H247G243-Y245 PolarHBondContact O-N 3.48Å; G243-H246 PolarHBondContact O-N 2.82Å; G243-H247 WeakPolarHBondContact O-CB 3.4Å; G243-H247 PolarHBondContact O-N 2.88Å
244C51.3Low55.3Low108 Ų108119 Ų11973%0.7363%0.634SS**Hα-helixtrans-59.5-41.8-165.9-1650000114.3S242 C248S242-C244 PolarHBondContact O-N 3.29Å; C244-C248 PolarHBondContact O-SG 3.18Å
245Y50.6Low57.9Low173 Ų173116.4 Ų116.468%0.67862%0.617SS**Hα-helixtrans-85.5-32.3-177.4-114.1-79000113.5G243G243-Y245 PolarHBondContact O-N 3.48Å
246H54.1Low60.7Low127 Ų127120.7 Ų120.759%0.58861%0.609SS**Hα-helixtrans-73.7-46.9177.8-142.9-69.4000110.3G243 C248 V249 D250G243-H246 PolarHBondContact O-N 2.82Å; H246-C248 VanDerWaalsContact C-N 3.34Å; H246-C248 PolarHBondContact O-N 2.78Å; H246-V249 PolarHBondContact O-N 3.21Å; H246-V249 VanDerWaalsContact O-N 3.07Å; H246-D250 IonicContact CE1-OD1 3.34Å; H246-D250 PolarHBondContact CE1-OD1 3.05Å; H246-D250 IonicContact CE1-OD2 3.45Å; H246-D250 IonicContact CG-OD2 2.71Å; H246-D250 VanDerWaalsContact ND1-CG 3.26Å; H246-D250 IonicContact ND1-OD1 2.69Å; H246-D250 PolarHBondContact ND1-OD1 2.96Å; H246-D250 VanDerWaalsContact ND1-OD1 3.1Å; H246-D250 IonicContact ND1-OD2 2.68Å; H246-D250 PolarHBondContact ND1-OD2 2.68Å; H246-D250 PolarHBondContact O-N 3.12Å
247H56.2Low63.2Low114 Ų114118.4 Ų118.453%0.52860%0.597SS.*Hα-helixtrans-60.8-37.4-175.4-168.937.1000113G243 V249 D250 E251G243-H247 WeakPolarHBondContact O-CB 3.4Å; G243-H247 PolarHBondContact O-N 2.88Å; H247-V249 VanDerWaalsContact C-N 3.34Å; H247-V249 PolarHBondContact O-N 2.89Å; H247-D250 PolarHBondContact O-N 3.36Å; H247-E251 WeakPolarHBondContact O-CB 3.22Å; H247-E251 PolarHBondContact O-N 2.71Å
248C58.8Low65.3Low84 Ų84117.6 Ų117.657%0.56858%0.58SS**Hα-helixtrans-67-32.1177-68.10000113.7C244 H246C244-C248 PolarHBondContact O-SG 3.18Å; H246-C248 VanDerWaalsContact C-N 3.34Å; H246-C248 PolarHBondContact O-N 2.78Å
249V59.5Low67.5Low83 Ų83114 Ų11450%0.50357%0.567SS.*Hα-helixtrans-78-45.6175.6178.20000109.7H246 H247 N252 I253H246-V249 PolarHBondContact O-N 3.21Å; H246-V249 VanDerWaalsContact O-N 3.07Å; H247-V249 VanDerWaalsContact C-N 3.34Å; H247-V249 PolarHBondContact O-N 2.89Å; V249-N252 PolarHBondContact O-N 3.11Å; V249-I253 HydrophobicContact CG1-CD1 3.89Å; V249-I253 WeakPolarHBondContact O-CG1 3.18Å; V249-I253 PolarHBondContact O-N 3.28Å; V249-I253 VanDerWaalsContact O-N 3.11Å
250D71.8Confident69.6Low66 Ų66110.4 Ų110.435%0.35355%0.548SS..Hα-helixtrans-58.8-48.4176.2-62.8-28.9000111.2H246 H247 N252 I253 E254H246-D250 IonicContact CE1-OD1 3.34Å; H246-D250 PolarHBondContact CE1-OD1 3.05Å; H246-D250 IonicContact CE1-OD2 3.45Å; H246-D250 IonicContact CG-OD2 2.71Å; H246-D250 VanDerWaalsContact ND1-CG 3.26Å; H246-D250 IonicContact ND1-OD1 2.69Å; H246-D250 PolarHBondContact ND1-OD1 2.96Å; H246-D250 VanDerWaalsContact ND1-OD1 3.1Å; H246-D250 IonicContact ND1-OD2 2.68Å; H246-D250 PolarHBondContact ND1-OD2 2.68Å; H246-D250 PolarHBondContact O-N 3.12Å; H247-D250 PolarHBondContact O-N 3.36Å; D250-N252 PolarHBondContact O-N 3.36Å; D250-I253 CarbonylContact O-C 3.53Å; D250-I253 PolarHBondContact O-N 3.42Å; D250-I253 VanDerWaalsContact O-N 3.09Å; D250-E254 WeakPolarHBondContact O-CB 3.46Å; D250-E254 PolarHBondContact O-N 3.48Å
251E79.4Confident71.5Confident71 Ų71106.8 Ų106.833%0.33254%0.535SS..Hα-helixtrans-69.9-18-176.8-159.5-150.8-161.500112.5H247 R255H247-E251 WeakPolarHBondContact O-CB 3.22Å; H247-E251 PolarHBondContact O-N 2.71Å; E251-R255 VanDerWaalsContact CG-NH1 3.33Å; E251-R255 WeakPolarHBondContact O-CB 3.45Å; E251-R255 WeakPolarHBondContact O-CG 3.4Å; E251-R255 PolarHBondContact O-N 3.16Å; E251-R255 PolarHBondContact O-NH1 3.41Å; E251-R255 IonicContact OE1-CZ 3.69Å; E251-R255 IonicContact OE1-NH1 3.68Å; E251-R255 IonicContact OE1-NH2 2.74Å; E251-R255 PolarHBondContact OE1-NH2 2.71Å; E251-R255 IonicContact OE2-CZ 3.1Å; E251-R255 IonicContact OE2-NH1 3.68Å; E251-R255 PolarHBondContact OE2-NH1 3.28Å; E251-R255 IonicContact OE2-NH2 3.77Å; E251-R255 PolarHBondContact OE2-NH2 3.46Å
252N81.3Confident73.9Confident107 Ų107104.8 Ų104.857%0.57253%0.529SS*.Hα-helixtrans-78.4-45.8167.9-169.3-87.1000111.2V249 D250 R256V249-N252 PolarHBondContact O-N 3.11Å; D250-N252 PolarHBondContact O-N 3.36Å; N252-R256 WeakPolarHBondContact O-CB 3.4Å; N252-R256 PolarHBondContact O-N 3.35Å
253I84.6Confident75.8Confident80 Ų80103.4 Ų103.441%0.4152%0.523SS..Hα-helixtrans-66.1-40.2178.1-67.4169.9000111V249 D250 R256 N257V249-I253 HydrophobicContact CG1-CD1 3.89Å; V249-I253 WeakPolarHBondContact O-CG1 3.18Å; V249-I253 PolarHBondContact O-N 3.28Å; V249-I253 VanDerWaalsContact O-N 3.11Å; D250-I253 CarbonylContact O-C 3.53Å; D250-I253 PolarHBondContact O-N 3.42Å; D250-I253 VanDerWaalsContact O-N 3.09Å; I253-R256 WeakPolarHBondContact O-CB 3.29Å; I253-R256 PolarHBondContact O-N 3.32Å; I253-N257 WeakPolarHBondContact O-CB 3.23Å; I253-N257 PolarHBondContact O-N 3.45Å; I253-N257 PolarHBondContact O-ND2 3.06Å; I253-N257 PolarHBondContact O-OD1 3.15Å
254E91.3Very high77.4Confident128 Ų128103.5 Ų103.560%0.59852%0.524SS*.Hα-helixtrans-67.1-44.8178.2-175.4173.8-132.800111D250 R256 N257 H258D250-E254 WeakPolarHBondContact O-CB 3.46Å; D250-E254 PolarHBondContact O-N 3.48Å; E254-R256 VanDerWaalsContact C-N 3.32Å; E254-R256 PolarHBondContact O-N 3.3Å; E254-N257 PolarHBondContact O-N 3.44Å; E254-H258 VanDerWaalsContact O-CB 3.24Å; E254-H258 WeakPolarHBondContact O-CB 3.2Å; E254-H258 PolarHBondContact O-N 2.94Å
255R91.3Very high78.3Confident115 Ų115103.3 Ų103.343%0.43452%0.515SS..Hα-helixtrans-58.2-44.2169.4-77.6-178-167.6101.5-7.8111.7E251 H258 Y259E251-R255 VanDerWaalsContact CG-NH1 3.33Å; E251-R255 WeakPolarHBondContact O-CB 3.45Å; E251-R255 WeakPolarHBondContact O-CG 3.4Å; E251-R255 PolarHBondContact O-N 3.16Å; E251-R255 PolarHBondContact O-NH1 3.41Å; E251-R255 IonicContact OE1-CZ 3.69Å; E251-R255 IonicContact OE1-NH1 3.68Å; E251-R255 IonicContact OE1-NH2 2.74Å; E251-R255 PolarHBondContact OE1-NH2 2.71Å; E251-R255 IonicContact OE2-CZ 3.1Å; E251-R255 IonicContact OE2-NH1 3.68Å; E251-R255 PolarHBondContact OE2-NH1 3.28Å; E251-R255 IonicContact OE2-NH2 3.77Å; E251-R255 PolarHBondContact OE2-NH2 3.46Å; R255-H258 PolarHBondContact O-N 3.34Å; R255-Y259 HydrophobicContact CB-CE2 4.4Å; R255-Y259 WeakPolarHBondContact O-CD2 3.29Å; R255-Y259 PolarHBondContact O-N 3.5Å
256R90.1Very high79.2Confident169 Ų169102.5 Ų102.564%0.63852%0.517SS*.Hα-helixtrans-62.1-43.2178.1-178.7-176.7173.9-152-4.1111.8N252 I253 E254 Y259 L260N252-R256 WeakPolarHBondContact O-CB 3.4Å; N252-R256 PolarHBondContact O-N 3.35Å; I253-R256 WeakPolarHBondContact O-CB 3.29Å; I253-R256 PolarHBondContact O-N 3.32Å; E254-R256 VanDerWaalsContact C-N 3.32Å; E254-R256 PolarHBondContact O-N 3.3Å; R256-Y259 PolarHBondContact O-N 3.44Å; R256-L260 HydrophobicContact CG-CD1 4.25Å; R256-L260 WeakPolarHBondContact O-CG 3.24Å; R256-L260 PolarHBondContact O-N 2.88Å
257N87.7Confident79.7Confident73 Ų73103.1 Ų103.139%0.3953%0.525SS..Hα-helixtrans-67.3-45.3177.4-67.2-12.8000110.8I253 E254 Y259 L260 D261I253-N257 WeakPolarHBondContact O-CB 3.23Å; I253-N257 PolarHBondContact O-N 3.45Å; I253-N257 PolarHBondContact O-ND2 3.06Å; I253-N257 PolarHBondContact O-OD1 3.15Å; E254-N257 PolarHBondContact O-N 3.44Å; N257-Y259 VanDerWaalsContact C-N 3.28Å; N257-Y259 PolarHBondContact O-N 2.64Å; N257-L260 CarbonylContact O-C 3.57Å; N257-L260 WeakPolarHBondContact O-CA 3.09Å; N257-L260 WeakPolarHBondContact O-CB 3.46Å; N257-L260 PolarHBondContact O-N 3.26Å; N257-D261 PolarHBondContact O-N 2.85Å
258H92.7Very high79.6Confident102 Ų102107.4 Ų107.447%0.47254%0.538SS..Hα-helixtrans-56-40.7174.2-178.662.4000112.5E254 R255 L262E254-H258 VanDerWaalsContact O-CB 3.24Å; E254-H258 WeakPolarHBondContact O-CB 3.2Å; E254-H258 PolarHBondContact O-N 2.94Å; R255-H258 PolarHBondContact O-N 3.34Å; H258-L262 WeakPolarHBondContact NE2-CD1 3.41Å; H258-L262 WeakPolarHBondContact O-CB 3.4Å; H258-L262 VanDerWaalsContact O-CG 3.27Å; H258-L262 WeakPolarHBondContact O-CG 3.37Å; H258-L262 PolarHBondContact O-N 3.48Å
259Y91.9Very high79.5Confident156 Ų156108.6 Ų108.661%0.61254%0.542SS*.Hα-helixtrans-72.7-27.9173.5-68.3-52.6000113.9R255 R256 N257 L262 A263R255-Y259 HydrophobicContact CB-CE2 4.4Å; R255-Y259 WeakPolarHBondContact O-CD2 3.29Å; R255-Y259 PolarHBondContact O-N 3.5Å; R256-Y259 PolarHBondContact O-N 3.44Å; N257-Y259 VanDerWaalsContact C-N 3.28Å; N257-Y259 PolarHBondContact O-N 2.64Å; Y259-L262 HydrophobicContact CD1-CD1 4.21Å; Y259-A263 WeakPolarHBondContact O-CB 3.3Å; Y259-A263 PolarHBondContact O-N 2.69Å; Y259-A263 VanDerWaalsContact O-N 3.09Å
260L89.4Confident79Confident74 Ų74108.9 Ų108.939%0.38755%0.548SS..Hα-helixtrans-67.8-44.1170.6-76.9160.7000111.3R256 N257 A263 G264 I265R256-L260 HydrophobicContact CG-CD1 4.25Å; R256-L260 WeakPolarHBondContact O-CG 3.24Å; R256-L260 PolarHBondContact O-N 2.88Å; N257-L260 CarbonylContact O-C 3.57Å; N257-L260 WeakPolarHBondContact O-CA 3.09Å; N257-L260 WeakPolarHBondContact O-CB 3.46Å; N257-L260 PolarHBondContact O-N 3.26Å; L260-A263 PolarHBondContact O-N 2.88Å; L260-G264 PolarHBondContact O-N 3.01Å; L260-I265 HydrophobicContact CD2-CD1 4Å; L260-I265 HydrophobicContact CD2-CG1 4.27Å
261D86.8Confident78.3Confident123 Ų123113.3 Ų113.366%0.65857%0.567SS**Hα-helixtrans-65.1-48177.7-60.1-27.6000110.9N257 A263 G264N257-D261 PolarHBondContact O-N 2.85Å; D261-A263 VanDerWaalsContact C-N 3.25Å; D261-A263 PolarHBondContact O-N 3.34Å; D261-G264 PolarHBondContact O-N 2.81Å
262L90.6Very high76.8Confident119 Ų119119.1 Ų119.162%0.62359%0.591SS**Hα-helixtrans-61.1-31.6175-78.1177.7000113.3H258 Y259 G264H258-L262 WeakPolarHBondContact NE2-CD1 3.41Å; H258-L262 WeakPolarHBondContact O-CB 3.4Å; H258-L262 VanDerWaalsContact O-CG 3.27Å; H258-L262 WeakPolarHBondContact O-CG 3.37Å; H258-L262 PolarHBondContact O-N 3.48Å; Y259-L262 HydrophobicContact CD1-CD1 4.21Å; L262-G264 VanDerWaalsContact C-N 3.26Å; L262-G264 PolarHBondContact O-N 3.11Å
263A84.6Confident75.3Confident58 Ų58116.2 Ų116.248%0.47959%0.587SS.*Hα-helixtrans-74.1-17.3176.600000112.7Y259 L260 D261 I265Y259-A263 WeakPolarHBondContact O-CB 3.3Å; Y259-A263 PolarHBondContact O-N 2.69Å; Y259-A263 VanDerWaalsContact O-N 3.09Å; L260-A263 PolarHBondContact O-N 2.88Å; D261-A263 VanDerWaalsContact C-N 3.25Å; D261-A263 PolarHBondContact O-N 3.34Å; A263-I265 HydrophobicContact CB-CD1 4.49Å; A263-I265 HydrophobicContact CB-CG1 4.1Å; A263-I265 HydrophobicContact CB-CG2 4.13Å; A263-I265 PolarHBondContact O-N 2.87Å; A263-I265 VanDerWaalsContact O-N 3.13Å
264G80.8Confident73.8Confident44 Ų44119.2 Ų119.245%0.45461%0.611SS.*THydrogen-bonded Turntrans61.318.7-179.600000114.1L260 D261 L262 E266L260-G264 PolarHBondContact O-N 3.01Å; D261-G264 PolarHBondContact O-N 2.81Å; L262-G264 VanDerWaalsContact C-N 3.26Å; L262-G264 PolarHBondContact O-N 3.11Å; G264-E266 PolarHBondContact O-N 2.76Å; G264-E266 VanDerWaalsContact O-N 3.11Å
265I70.1Confident71.6Confident103 Ų103116.4 Ų116.453%0.52862%0.616SS.*  trans-83.927-175.862.1171.4000113L260 A263 N267L260-I265 HydrophobicContact CD2-CD1 4Å; L260-I265 HydrophobicContact CD2-CG1 4.27Å; A263-I265 HydrophobicContact CB-CD1 4.49Å; A263-I265 HydrophobicContact CB-CG1 4.1Å; A263-I265 HydrophobicContact CB-CG2 4.13Å; A263-I265 PolarHBondContact O-N 2.87Å; A263-I265 VanDerWaalsContact O-N 3.13Å; I265-N267 PolarHBondContact O-N 3.32Å; I265-N267 VanDerWaalsContact O-N 3.1Å
266E71.3Confident69Low157 Ų157115.9 Ų115.973%0.73463%0.63SS**THydrogen-bonded Turntrans-59114.9177.250.5172170.900111.1G264 Y268G264-E266 PolarHBondContact O-N 2.76Å; G264-E266 VanDerWaalsContact O-N 3.11Å; E266-Y268 PolarHBondContact O-N 3.06Å
267N63.3Low66.9Low140 Ų140113.3 Ų113.375%0.74964%0.636SS**THydrogen-bonded Turntrans64.325.1166.4-55-69.4000117.7I265 T269I265-N267 PolarHBondContact O-N 3.32Å; I265-N267 VanDerWaalsContact O-N 3.1Å; N267-T269 PolarHBondContact O-N 2.75Å
268Y55.3Low64.7Low204 Ų204115.6 Ų115.680%0.866%0.657SS**  trans-78.155.2159.6-69-79.5000112E266 S270E266-Y268 PolarHBondContact O-N 3.06Å; Y268-S270 PolarHBondContact O-N 2.72Å
269T55.5Low62.2Low108 Ų108117.1 Ų117.166%0.66367%0.674SS**  trans-64.3132.6166.451.90000108.9N267 Q271N267-T269 PolarHBondContact O-N 2.75Å; T269-Q271 PolarHBondContact O-N 3.22Å
270S50Low59.5Low90 Ų90114.1 Ų114.163%0.62968%0.681SS**  trans-60110.7-166.7-176.60000112.6Y268 F272 G273Y268-S270 PolarHBondContact O-N 2.72Å; S270-F272 PolarHBondContact O-N 3.16Å; S270-F272 PolarHBondContact OG-N 3.39Å; S270-G273 PolarHBondContact O-N 3.44Å
271Q55.4Low57.4Low158 Ų158119.7 Ų119.774%0.73871%0.705SS**THydrogen-bonded Turntrans-69.65.5171.3-62.5-700.400113T269 G273T269-Q271 PolarHBondContact O-N 3.22Å; Q271-G273 VanDerWaalsContact C-N 3.31Å
272F48.9Very low54.9Low194 Ų194122 Ų12285%0.85171%0.709SS**THydrogen-bonded Turntrans-93.320.3174-60.1-76.6000113.1S270S270-F272 PolarHBondContact O-N 3.16Å; S270-F272 PolarHBondContact OG-N 3.39Å
273G50.8Low52.5Low46 Ų46121.5 Ų121.547%0.47472%0.716SS.*SBendtrans-77122.4162.700000110.9S270 Q271 G275S270-G273 PolarHBondContact O-N 3.44Å; Q271-G273 VanDerWaalsContact C-N 3.31Å; G273-G275 PolarHBondContact O-N 3.3Å
274P52.9Low49.8Very low143 Ų143126 Ų12693%0.92973%0.727SS**SBendtrans-77.186.2-176.931-35.2000111.9
275G43.7Very low47.9Very low68 Ų68131.6 Ų131.670%0.70175%0.746SS**  trans154.371.4170.700000116.1G273G273-G275 PolarHBondContact O-N 3.3Å
276S36.4Very low46.7Very low104 Ų104131.2 Ų131.273%0.72775%0.749SS**  trans-84.9136.2167.7-41.50000111.7
277P47Very low44.9Very low116 Ų116130.1 Ų130.175%0.75376%0.756SS**  trans-106.6134.3145.733.6-28000110.4
278S42Very low43.7Very low120 Ų120134.6 Ų134.684%0.83976%0.762SS**  trans-82.9130.4179.555.70000112.5
279V38.9Very low42.6Very low135 Ų135131.5 Ų131.582%0.81877%0.765SS**  trans-136.7129167177.90000111.5
280A35.8Very low41.5Very low93 Ų93131.6 Ų131.677%0.76977%0.77SS**  trans43119.3158.500000120.7
281Q45.1Very low41Very low191 Ų191135.2 Ų135.289%0.89378%0.782SS**  trans-65.1136.9152.1-57.1164.1-84.500110.1
282K34.2Very low40.7Very low171 Ų171133.1 Ų133.174%0.74378%0.783SS**  trans-135.691148.5-171.8169.2-177.5-770109.5E284K282-E284 IonicContact NZ-OE2 2.57Å; K282-E284 PolarHBondContact NZ-OE2 3.24Å
283S40.7Very low39.9Very low108 Ų108130.2 Ų130.276%0.75578%0.781SS**  trans-72.6123.9174.851.50000110.8
284E28.7Very low39.2Very low153 Ų153138.8 Ų138.872%0.71580%0.799SS**  trans-141.4118.3168.1-151.4160.2143.900109.1K282K282-E284 IonicContact NZ-OE2 2.57Å; K282-E284 PolarHBondContact NZ-OE2 3.24Å
285L40.1Very low38.3Very low162 Ų162137.5 Ų137.585%0.84879%0.793SS**  trans-145.8158.4-170.2-77-176.8000107.5
286P45.6Very low38.3Very low94 Ų94145.7 Ų145.761%0.6180%0.803SS**  -123.7174-97.721.61.1000113.1R288P286-R288 PolarHBondContact O-N 2.85Å
287P33.8Very low38.3Very low134 Ų134145.9 Ų145.987%0.8781%0.805SS**  trans-68.8100.2165.129.6-33.3000110.1
288R36.6Very low37.5Very low234 Ų234148.9 Ų148.988%0.88381%0.808SS**PPolyproline II helixtrans-66.8135.4172.2-70.4-178.4172.2-173-2.7111.1P286P286-R288 PolarHBondContact O-N 2.85Å
289T33.5Very low37.6Very low140 Ų140148.8 Ų148.886%0.85979%0.794SS**PPolyproline II helixtrans-87.4154.6148.552.20000109.6
290S32Very low37.7Very low109 Ų109148 Ų14876%0.76279%0.792SS**PPolyproline II helixtrans-101.9127.1-160.746.40000114.8
291N38.7Very low37.7Very low167 Ų167151 Ų15189%0.89379%0.79SS**PPolyproline II helixtrans-94.7135.4158.8-74-29000110
292P49.8Very low37.2Very low114 Ų114146.9 Ų146.974%0.7479%0.789SS**  trans-138.569.2163.439.5-23.5000115
293T31.9Very low37.3Very low133 Ų133144.6 Ų144.682%0.81678%0.783SS**  trans-145.8101.7160.6-9.30000114.8
294R36.1Very low37.1Very low225 Ų225148.2 Ų148.285%0.84979%0.788SS**  trans40.1112.4132-163.9-178.8-163-104.29.9118.8
295S33.9Very low37.3Very low116 Ų116147 Ų14781%0.81179%0.791SS**  -164.6174.3106.7-80.60000112.4
296R43.1Very low38.1Very low240 Ų240144.8 Ų144.891%0.90679%0.786SS**  trans-136.3159.3-155.6174.6-175.5177-152.31.9111.9
297S36.2Very low37.4Very low109 Ų109147.6 Ų147.676%0.76279%0.791SS**  trans76.3153.2173.179.50000115.4
298H32.2Very low37.2Very low179 Ų179151.2 Ų151.283%0.82979%0.787SS**  cis-140.9158.1-1.3-163.3-72.8000109.4
299E43.4Very low37.3Very low117 Ų117149.4 Ų149.455%0.54779%0.786SS.*  trans-130.7153.7-177.2-163-75.4152.700109.9E301E299-E301 VanDerWaalsContact CD-N 3.3Å; E299-E301 PolarHBondContact OE1-N 3.35Å; E299-E301 VanDerWaalsContact OE1-N 3.13Å; E299-E301 PolarHBondContact OE2-N 2.82Å
300P41.6Very low38Very low118 Ų118147.5 Ų147.577%0.76678%0.776SS**  trans-138.1104.3157.634.4-16.8000114.6
301E35.1Very low38Very low156 Ų156151.6 Ų151.673%0.72978%0.783SS**  trans-54.3143.7172.4-74.5-178.488.400113.8E299E299-E301 VanDerWaalsContact CD-N 3.3Å; E299-E301 PolarHBondContact OE1-N 3.35Å; E299-E301 VanDerWaalsContact OE1-N 3.13Å; E299-E301 PolarHBondContact OE2-N 2.82Å
302A35.1Very low37.6Very low105 Ų105147.2 Ų147.287%0.86878%0.777SS**  trans-124104160.500000109.4
303I36.3Very low37Very low123 Ų123148.4 Ų148.463%0.63178%0.782SS**  trans-74138.8-172.2-61159.8000111
304H34.7Very low37.1Very low184 Ų184148.9 Ų148.985%0.85278%0.78SS**  178.5152.4121.3-96.8-70.4000113.3
305V33.6Very low38.2Very low127 Ų127143.4 Ų143.477%0.7777%0.773SS**  trans-126.1-171.5-169.8-149.40000110.2
306P57.7Low38Very low116 Ų116141.4 Ų141.475%0.75377%0.77SS**  -94.9-173.9-117.343.3-30.3000114.8
307H29.7Very low37.6Very low154 Ų154134.2 Ų134.271%0.71376%0.757SS**  trans-170.6153.4130.2-151-166.3000116.1
308R30.5Very low37.2Very low210 Ų210138.4 Ų138.479%0.79276%0.762SS**  trans66105.9153.4-88.7174.4-175.31683.5123.8
309K37.4Very low37.6Very low195 Ų195138.3 Ų138.385%0.84876%0.762SS**  -71.2172.2127.5-96.5178.3178.5179.30110
310P48.9Very low37Very low101 Ų101141.3 Ų141.366%0.65677%0.773SS**  cis-155.9-178.541.345.1-23.2000120.4
311Q32.3Very low36.8Very low194 Ų194142.2 Ų142.291%0.90777%0.771SS**  trans65.8142.4146.3-81.7164.9-49.900123
312G30.9Very low36.6Very low75 Ų75141.2 Ų141.277%0.77377%0.771SS**  trans17461178.500000115.9
313V36.1Very low36.5Very low139 Ų139141.6 Ų141.684%0.84276%0.762SS**  trans1.9114.9167.1-158.70000121
314D34.4Very low37.3Very low144 Ų144140.9 Ų140.977%0.7777%0.765SS**  29.3165.2114.3-127.636.9000122.7
315P58.3Low37.1Very low110 Ų110139.2 Ų139.271%0.71476%0.761SS**  -137-172.4-8544.6-27.9000115.2
316G30.8Very low37Very low73 Ų73137.3 Ų137.375%0.75376%0.759SS**  trans121158.7153.800000116.8
317S34.3Very low35.8Very low90 Ų90141.2 Ų141.263%0.62976%0.764SS**  cis-162.6163.1-14.9-158.10000112.6
318F27.7Very low36Very low196 Ų196140.1 Ų140.186%0.8677%0.768SS**  trans63.8129.6163.6-58.1-60.6000121.1
319H40.4Very low36.4Very low178 Ų178135 Ų13582%0.82476%0.764SS**  trans-74.7163.8157.2-51-107.2000110.5
320F31.5Very low36.5Very low180 Ų180134.2 Ų134.279%0.78976%0.764SS**  -175.5125.7119.6-118.9-124.9000112.7
321L37Very low35.7Very low136 Ų136137.5 Ų137.571%0.71278%0.775SS**  trans53.9168.2152-53.2-178.3000118.5
322D30.8Very low35.8Very low136 Ų136135.2 Ų135.273%0.72776%0.764SS**  cis-138.1-167.7-1.6-151-21.9000111.5
323T33.4Very low35.9Very low113 Ų113138.6 Ų138.669%0.69376%0.76SS**  trans-121.3-159.8-163.6-8.40000109.9
324P52.6Low35.7Very low107 Ų107143.8 Ų143.870%0.69576%0.764SS**  -115.3-154.2-69.824.2-2.7000112.5
325I30.6Very low35.8Very low149 Ų149142.3 Ų142.376%0.76476%0.756SS**  trans95.784.5152.7-49.3175.3000118.8
326A31.4Very low34.6Very low88 Ų88147.7 Ų147.773%0.72776%0.762SS**  64.4160.9113.500000124.1
327K32.4Very low34.6Very low198 Ų198147.3 Ų147.386%0.86176%0.758SS**  trans76.2118.8175.8-58-179.9-177.4177.50114.3
328V35.1Very low34.4Very low131 Ų131149.9 Ų149.979%0.79477%0.77SS**  cis93.611542.9171.90000112.5
329S37.4Very low34.8Very low101 Ų101148 Ų14871%0.70676%0.764SS**  trans68.6115.8160.5-62.80000121.4
330E41.1Very low34.5Very low179 Ų179146.2 Ų146.284%0.83676%0.761SS**  70.2112.2122.8-163.4171.9176.900119.9
331L30.3Very low34.7Very low170 Ų170140.9 Ų140.989%0.8976%0.756SS**  trans-137.2136.9149.8-169.164.5000112.3
332Q34.9Very low34.6Very low147 Ų147139.1 Ų139.169%0.68776%0.755SS**  trans-53140-178.9-88.7179.6-12.100117.6
333Q33.3Very low35.1Very low146 Ų146141.7 Ų141.768%0.68276%0.76SS**  64123.3117-158.6178.612.600120.4
334R32.1Very low35.6Very low248 Ų248144.3 Ų144.394%0.93676%0.764SS**  trans-132.5159.3143.9-165150.5-71.2173.30.2110.3
335L35.8Very low34.9Very low113 Ų113149 Ų14959%0.59277%0.774SS**  trans-119.8169.8-150.7179.962000112.7
336R33.9Very low35.4Very low222 Ų222148.2 Ų148.284%0.83878%0.775SS**  trans89.4132.9174.6-47.1-63.5178-155.4-3113.9
337G30.7Very low35.6Very low65 Ų65155 Ų15567%0.6778%0.782SS**  cis132.1155.5-9.400000114.1
338T29Very low35.9Very low144 Ų144151.1 Ų151.188%0.88378%0.78SS**  trans77.1144.4175.5-48.30000115.4
339Q36.5Very low36.4Very low157 Ų157151.3 Ų151.373%0.73478%0.784SS**  cis-164.6162.5-38-166.1178.5-67.800107.8
340D34.7Very low36.1Very low141 Ų141156 Ų15675%0.75479%0.791SS**  trans68.1153.3165.6-77.5-59.2000118.7
341G35.3Very low36.1Very low68 Ų68152.3 Ų152.370%0.70179%0.792SS**  cis147.589.6-7.200000114.1
342S34.7Very low36.4Very low98 Ų98152.5 Ų152.569%0.68579%0.788SS**  trans-151.2155.1165-171.70000111.8H344S342-H344 PolarHBondContact OG-NE2 3.09Å
343K41.4Very low36.4Very low191 Ų191148.8 Ų148.883%0.8379%0.79SS**  trans-127.6126.4-178.3-54.2177.1-173177.60108.9
344H43.5Very low37.1Very low167 Ų167151.1 Ų151.177%0.77380%0.798SS**  trans-126.5106.9172.9-72.9-70.1000112S342S342-H344 PolarHBondContact OG-NE2 3.09Å
345F39.6Very low37.2Very low207 Ų207144.7 Ų144.791%0.90879%0.79SS**  trans-83.4115164.2-87.4-96.8000109.7
346V39.2Very low37.1Very low131 Ų131146.3 Ų146.379%0.79481%0.805SS**  trans-164.1147.8160-95.60000109.4
347R36.4Very low37Very low232 Ų232138.7 Ų138.788%0.87580%0.795SS**  cis-172.4111.8-26.3172.4174.7-179.5178.6-0107.1
348S38.5Very low37.2Very low116 Ų116142.7 Ų142.781%0.81181%0.806SS**  trans-67.3131.8-177.7-47.40000112.4K350S348-K350 PolarHBondContact O-N 3.26Å
349P46.3Very low37.3Very low135 Ų135139.2 Ų139.288%0.87780%0.799SS**  trans-71.7118.3169.1-16.531.4000110.6
350K31.1Very low37.4Very low198 Ų198139.9 Ų139.986%0.86180%0.802SS**  trans-112.6112.7168.6-176.2170.2-177.3172.30108.5S348S348-K350 PolarHBondContact O-N 3.26Å
351A40.3Very low37.5Very low102 Ų102138.7 Ų138.784%0.84380%0.799SS**  trans-66.2144.3174.100000110.5
352Q37.1Very low37.5Very low174 Ų174140.1 Ų140.181%0.81381%0.805SS**  trans-108.4123.5-168.6-179.6178.87.400110.9
353G34Very low37.6Very low70 Ų70147.3 Ų147.372%0.72282%0.817SS**  trans-74.1151.2167.300000112.1
354K48.1Very low37.1Very low195 Ų195141.6 Ų141.685%0.84881%0.812SS**  trans-126.3148.9162.6-73.3-172.9177.3-178.20109
355S34.5Very low36.6Very low112 Ų112139 Ų13978%0.78382%0.82SS**  trans-127-168.6-174.858.60000110.6
356V35.1Very low36.7Very low147 Ų147139.9 Ų139.989%0.89182%0.817SS**  trans80120.9-178.2-169.10000113.7
357G31.7Very low36.5Very low62 Ų62139.8 Ų139.864%0.63981%0.812SS**  cis165.5169.5-9.200000114.3
358V33.9Very low36.7Very low150 Ų150138 Ų13891%0.90981%0.811SS**  trans43.8127.9151.7-166.60000118.4
359G32Very low37.5Very low71 Ų71137.6 Ų137.673%0.73281%0.805SS**  cis-162.9-154.84.100000109
360H38.3Very low38Very low170 Ų170136.7 Ų136.779%0.78780%0.799SS**  cis-161.11417.9-160.9-105.5000111
361V37.1Very low38.3Very low116 Ų116135.9 Ų135.970%0.70380%0.803SS**  trans23.2126155.7-177.40000121.9
362A34.9Very low37.8Very low99 Ų99134 Ų13482%0.81880%0.795SS**  trans-154.5155.6135.100000112.5
363R36.8Very low38.7Very low249 Ų249131.9 Ų131.994%0.9480%0.795SS**  trans-110.4164.5175.3-58172.4-179.9169.6-1.7108.7
364G30.8Very low38.4Very low70 Ų70133.1 Ų133.172%0.72280%0.799SS**  cis155.4-173.3-0.800000111.5
365A33.8Very low37.9Very low114 Ų114133.5 Ų133.594%0.94280%0.801SS**  trans71-177.4166.800000119.5
366R41.5Very low38.6Very low224 Ų224133.9 Ų133.985%0.84580%0.801SS**  trans-153.4151.7-144.8-141.6179.8-176.4-178.71.5113.5
367N34.8Very low38.5Very low130 Ų130130.7 Ų130.770%0.69579%0.79SS**  trans83.5118.9152.3-68-29.2000124.6
368K39.2Very low38.7Very low195 Ų195134.6 Ų134.685%0.84880%0.801SS**  91.6152.2129.9-67.2-77.1-174.1173.50123.1
369P55.5Low38.6Very low107 Ų107132.6 Ų132.670%0.69579%0.794SS**  trans-114.5-153-171.947.4-33.4000111.8
370P57.2Low39.7Very low115 Ų115134.9 Ų134.975%0.74780%0.796SS**  cis-140.7-172.9-2.644.1-24.9000117.2
371L36.6Very low39.6Very low181 Ų181132.3 Ų132.395%0.94880%0.797SS**  trans-162.7158.6155.5-108.8157.6000112.1
372G31.4Very low39.4Very low64 Ų64129.9 Ų129.966%0.6679%0.789SS**  trans-127.8-144-178.800000112.5
373P56.4Low39.4Very low128 Ų128133.3 Ų133.383%0.83179%0.788SS**  cis-140.3-179.8-4.944.1-27.4000115.7
374A27.1Very low39.5Very low97 Ų97129.3 Ų129.380%0.80278%0.784SS**  trans-179157.4144.700000113.7
375F37.4Very low39.5Very low202 Ų202130.7 Ų130.789%0.88679%0.789SS**  trans-131.5179.9-179.8-80.7-73.1000109.9
376P49.9Very low39.4Very low120 Ų120130.4 Ų130.478%0.77979%0.786SS**  cis-128.8-1489.544-23.8000112.5
377A32.2Very low39Very low81 Ų81125.2 Ų125.267%0.66979%0.785SS**  cis-159.1151.83.500000113.9
378V35Very low40Very low143 Ų143124.6 Ų124.687%0.86779%0.788SS**  trans48131135.3178.80000122.9
379S33Very low39.6Very low109 Ų109119.6 Ų119.676%0.76278%0.783SS**  trans-92.6-164.2173.7-25.30000112.5
380P55.1Low38.5Very low119 Ų119122.8 Ų122.877%0.77379%0.793SS**  cis-146-179.527.144.3-22.4000119.2
381S35.1Very low37.7Very low116 Ų116125.2 Ų125.281%0.81180%0.799SS**  trans6.5156.3142.9-132.60000121
382A34.1Very low37.9Very low65 Ų65122.8 Ų122.854%0.53779%0.794SS.*  cis-173.5177.733.900000116.2
383H35.1Very low38.2Very low171 Ų171125 Ų12579%0.79280%0.799SS**  trans71.3109.7149.7-59-51.9000124.4
384L37.6Very low37.1Very low164 Ų164127 Ų12786%0.85980%0.802SS**  31127.9123.3-58172.9000122
385A31Very low37.6Very low100 Ų100126 Ų12683%0.82679%0.794SS**  -176.8162.8123.300000114.2
386A32.9Very low38.1Very low107 Ų107121.7 Ų121.788%0.88479%0.786SS**  trans71.5122.3157.300000122.1
387S32.1Very low37.5Very low116 Ų116122.9 Ų122.981%0.81179%0.785SS**  trans-125.3-179154.9-1520000106.2
388P55.3Low37.5Very low116 Ų116122.6 Ų122.675%0.75379%0.79SS**  cis-136173.9-4.843.1-26.7000115.9
389A31.3Very low37.6Very low90 Ų90123.3 Ų123.374%0.74478%0.784SS**  trans-169.4115153.100000109.2
390L32.1Very low38.2Very low174 Ų174128.1 Ų128.191%0.91179%0.791SS**  70.3117.581-68.7178.8000116
391L40.7Very low37.5Very low166 Ų166132 Ų13287%0.86980%0.796SS**  trans-80.5161.3162.3-60.7172.9000110.1
392P41.7Very low37.7Very low130 Ų130134.1 Ų134.184%0.84479%0.793SS**  -148.3176.698.838.6-21.8000116.1
393S36.8Very low38.2Very low110 Ų110140.9 Ų140.977%0.76981%0.81SS**  trans-79.4160.4174.7175.90000113.3
394L33.7Very low38.6Very low171 Ų171139.2 Ų139.290%0.89580%0.802SS**  trans-169.7151.5138.4-104.1167.8000113.8
395A36.5Very low38.7Very low77 Ų77141.8 Ų141.864%0.63680%0.8SS**  trans-116.6-170.5163.700000107.7
396P48.8Very low38.8Very low110 Ų110141.3 Ų141.371%0.71480%0.796SS**  cis-146.8-151.613.739.3-13.5000115.2
397L37.5Very low39.5Very low146 Ų146145.6 Ų145.676%0.76480%0.795SS**  trans80.1136.7162.9-68.9157.3000119.5
398G31.5Very low39.7Very low75 Ų75147.5 Ų147.577%0.77379%0.791SS**  trans16654.917900000117.1
399H38.6Very low38.8Very low158 Ų158146.2 Ų146.273%0.73178%0.784SS**  trans-69.6137.7-174.3-32.5-93.3000114.5
400K45.1Very low39.1Very low210 Ų210149.5 Ų149.591%0.91378%0.784SS**  trans-133.5152.4155.3-76.7-162.3174.9-179.80113.1
401K40.3Very low39.4Very low201 Ų201149.8 Ų149.887%0.87478%0.781SS**  trans-88.6140-152.7-61.4-76.8-173.9173.80114.1
402H40Very low38.8Very low160 Ų160145.6 Ų145.674%0.74178%0.778SS**  trans-40.2135.3150.9161.7109.5000113H404H402-H404 WeakPolarHBondContact NE2-CB 3.27Å
403K44.3Very low38.3Very low206 Ų206144.7 Ų144.790%0.89677%0.773SS**  trans-124133.8161.5-173178.1179.5-176.80108.7
404H43.5Very low38.3Very low136 Ų136151.3 Ų151.363%0.6378%0.781SS**  trans-123.6169.6-172.4154.9-113.3000111.1H402H402-H404 WeakPolarHBondContact NE2-CB 3.27Å
405R38.9Very low38.1Very low219 Ų219146.6 Ų146.683%0.82677%0.774SS**  trans73.6149.2-176.7-94.8177.3170.2-135.2-0.8115.2
406A34Very low38.4Very low89 Ų89151.2 Ų151.274%0.73679%0.787SS**  cis-133.2154.67.200000114.1
407K47.3Very low37.6Very low198 Ų198155.2 Ų155.286%0.86180%0.796SS**  trans-88.4123.3163.7171.7-174.8179.9179.40107.7
408E35.6Very low37.7Very low156 Ų156152.5 Ų152.573%0.72979%0.794SS**  trans-114.7148.6162.2-175.4163-177.500110Q410E408-Q410 PolarHBondContact OE1-NE2 2.69Å
409S35.8Very low38.3Very low88 Ų88154.5 Ų154.562%0.61579%0.794SS**  trans-153.3101.2-177.3158.60000109.2
410Q37.6Very low38.2Very low159 Ų159154.9 Ų154.974%0.74380%0.801SS**  trans-123.3117.2160.1-54.9-169.737.800105.5E408E408-Q410 PolarHBondContact OE1-NE2 2.69Å
411Q38.5Very low37.8Very low181 Ų181149.6 Ų149.685%0.84680%0.796SS**  57.994.561.6-65.8-163.6-22.900113
412G28.7Very low37.6Very low77 Ų77146.4 Ų146.479%0.79480%0.799SS**  trans-144.8104.5161.800000108.1
413C32Very low37.3Very low111 Ų111142.1 Ų142.175%0.7580%0.798SS**  trans-129.4146.2-176.9-76.30000111
414R36.4Very low36.7Very low250 Ų250136 Ų13694%0.94379%0.793SS**  trans69.2155.8-174.3-43.2-61.5-170.6-129.1-1.4112.5
415G29.2Very low36.9Very low71 Ų71135 Ų13573%0.73280%0.799SS**  cis-167.8-175.31.500000113.3
416L43.4Very low36.9Very low174 Ų174132 Ų13291%0.91180%0.798SS**  trans-70.9134.1179.5-62160000111.8
417Q31.8Very low37.5Very low195 Ų195136 Ų13691%0.91181%0.806SS**  175162.1124.7-98.2179.833.300112.2
418A38.3Very low37Very low88 Ų88129.5 Ų129.573%0.72780%0.795SS**  trans-122.8153.8165.600000109.2
419P44.7Very low37.2Very low117 Ų117132.8 Ų132.876%0.7680%0.801SS**  trans-142.6133.9146.434.2-17.7000116.3
420L37.3Very low37.2Very low167 Ų167136.6 Ų136.687%0.87481%0.809SS**  trans54.5102131.2-57.9173.2000122.2
421A36.8Very low37.1Very low99 Ų99136.8 Ų136.882%0.81881%0.809SS**  56.3112.2112.400000123
422S35.4Very low37Very low133 Ų133134.3 Ų134.393%0.9380%0.801SS**  trans-171.3139.5141.1-175.30000107.9
423G32.9Very low37.5Very low70 Ų70140.8 Ų140.872%0.72280%0.802SS**  cis-156.6-177.9-4.500000110.2
424G32.1Very low37.4Very low78 Ų78144.3 Ų144.380%0.80481%0.807SS**  trans-81.1-166.7-173.400000116.3
425P48.3Very low37.4Very low114 Ų114140.2 Ų140.274%0.7480%0.803SS**  cis-137.1149.420.641-23.3000119.1
426I39.2Very low38Very low157 Ų157142.6 Ų142.681%0.80581%0.806SS**  42.6120.4127.5-50.8168.5000120.5
427L46.5Very low37.6Very low174 Ų174138.7 Ų138.791%0.91180%0.798SS**  -170.4137.5129-105.8167.7000111.6
428G36.9Very low38.2Very low61 Ų61136.4 Ų136.463%0.62980%0.798SS**  trans72.3144.7-176.900000114.4
429R40Very low38.4Very low225 Ų225138.4 Ų138.485%0.84980%0.801SS**  cis59.2138.611.9-52.6-173170.6-110.5-0113.6
430E34.8Very low38Very low168 Ų168139.1 Ų139.179%0.78580%0.802SS**  cis-120.3176.826.6-52.3-52.8137.200116.8
431H36.1Very low37.8Very low162 Ų162141 Ų14175%0.7580%0.799SS**  trans-82.5132.6-168.7-172.189.6000115.8
432L35.9Very low37.8Very low130 Ų130144.9 Ų144.968%0.68180%0.8SS**  trans49.5138.2138-146.588.6000122.3
433R39.5Very low37.9Very low213 Ų213142.9 Ų142.980%0.80479%0.786SS**  trans87.290.3146.3-164.7-154-51.4-1471.6119.3
434E29.6Very low38.3Very low184 Ų184148.7 Ų148.786%0.8680%0.795SS**  -161151.8128.1-121.4178.8144.600113.8
435L36.6Very low39Very low164 Ų164149.7 Ų149.786%0.85980%0.796SS**  trans-154.1154.2164.9-75.4-178.4000106.9
436P42.2Very low39.2Very low121 Ų121147.8 Ų147.879%0.78680%0.797SS**  cis-121.7164.7-140-27.3000113.8
437A34.1Very low40Very low92 Ų92148.8 Ų148.876%0.7680%0.798SS**  trans-122.9127.4161.400000109.5V439A437-V439 PolarHBondContact O-N 3.29Å
438V45.3Very low40.6Very low148 Ų148146.3 Ų146.390%0.89779%0.792SS**  trans-76.6118.1179.2176.10000109.3
439V41.7Very low41.8Very low130 Ų130149.4 Ų149.479%0.78880%0.799SS**  trans-119.1140.6168.4-177.50000108.9A437A437-V439 PolarHBondContact O-N 3.29Å
440V36.1Very low43.4Very low131 Ų131146.1 Ų146.179%0.79479%0.793SS**  trans-64.2142.6-172.4177.80000111.4E442V440-E442 PolarHBondContact O-N 3.28Å
441Y33Very low44.9Very low206 Ų206148.3 Ų148.381%0.80879%0.794SS**  trans-73.988.5176.8-165.9-84.6000110.8S443Y441-S443 WeakPolarHBondContact CE1-OG 3.07Å; Y441-S443 PolarHBondContact O-N 3.01Å
442E38.6Very low46.3Very low181 Ų181146.9 Ų146.985%0.84679%0.787SS**  trans-82.6106.8166.5-170.2169-173.900109.3V440 Q444V440-E442 PolarHBondContact O-N 3.28Å; E442-Q444 PolarHBondContact O-N 2.75Å
443S36.8Very low47.7Very low91 Ų91147.8 Ų147.864%0.63679%0.788SS**PPolyproline II helixtrans-63.6118.2-177.2-63.80000111.7Y441Y441-S443 WeakPolarHBondContact CE1-OG 3.07Å; Y441-S443 PolarHBondContact O-N 3.01Å
444Q41.9Very low49Very low192 Ų192144.8 Ų144.890%0.89778%0.783SS**PPolyproline II helixtrans-60.7150.8172.3-72.2-171.6-3.100112.3E442E442-Q444 PolarHBondContact O-N 2.75Å
445A46.9Very low50.7Low100 Ų100142.6 Ų142.683%0.82677%0.772SS**PPolyproline II helixtrans-63.4150.9-171.200000114
446G50.4Low52.2Low74 Ų74141.9 Ų141.976%0.76377%0.765SS**PPolyproline II helixtrans-68.8148.8-176.100000114.5
447Q56.9Low53.2Low178 Ų178144.7 Ų144.783%0.83277%0.767SS**PPolyproline II helixtrans-61.5133.7171.7-68.3-81.4-61.300111.1V449Q447-V449 PolarHBondContact O-N 2.87Å
448P58.6Low54.8Low122 Ų122147.5 Ų147.579%0.79276%0.764SS**  trans-73.1112.8173.929.3-32.9000110.6Q450P448-Q450 PolarHBondContact O-N 3.38Å; P448-Q450 VanDerWaalsContact O-N 3.12Å
449V62.7Low55.7Low126 Ų126148.1 Ų148.176%0.76476%0.757SS**  trans-75.4102178.6-179.90000110Q447 R451Q447-V449 PolarHBondContact O-N 2.87Å; V449-R451 HydrophobicContact CG1-CG 4.23Å; V449-R451 PolarHBondContact O-N 3.29Å
450Q72.8Confident56.8Low155 Ų155149 Ų14972%0.72475%0.752SS**  trans-7385177.7-170.1-179.1-5.400111.5P448 H452P448-Q450 PolarHBondContact O-N 3.38Å; P448-Q450 VanDerWaalsContact O-N 3.12Å; Q450-H452 PolarHBondContact NE2-CE1 3.12Å; Q450-H452 VanDerWaalsContact NE2-CE1 3.35Å; Q450-H452 PolarHBondContact O-N 2.75Å; Q450-H452 PolarHBondContact O-ND1 3.26Å
451R66.8Low58Low215 Ų215149.4 Ų149.481%0.81175%0.745SS**  trans-68117.2172.7-54.4-171.778.2-114.80.9109V449V449-R451 HydrophobicContact CG1-CG 4.23Å; V449-R451 PolarHBondContact O-N 3.29Å
452H64.9Low59.5Low131 Ų131147.5 Ų147.561%0.60674%0.743SS**  trans-85.4140.9171-74.769.7000109.7Q450Q450-H452 PolarHBondContact NE2-CE1 3.12Å; Q450-H452 VanDerWaalsContact NE2-CE1 3.35Å; Q450-H452 PolarHBondContact O-N 2.75Å; Q450-H452 PolarHBondContact O-ND1 3.26Å
453E66.8Low60.6Low150 Ų150146.7 Ų146.770%0.70174%0.739SS**  trans-118119.9-173.6-166.2168.5139.100110H455E453-H455 IonicContact OE1-CE1 2.69Å; E453-H455 PolarHBondContact OE1-CE1 3.37Å; E453-H455 IonicContact OE1-NE2 3.68Å
454H67.2Low61.5Low149 Ų149152.1 Ų152.169%0.6975%0.747SS**  trans-106.9103.2-173.7-66.8-83.6000110H456H454-H456 PolarHBondContact O-CD2 3.3Å
455H65Low62.5Low138 Ų138150.6 Ų150.664%0.63974%0.74SS**  trans-81.2125.1175.1-76.870.2000110.4E453E453-H455 IonicContact OE1-CE1 2.69Å; E453-H455 PolarHBondContact OE1-CE1 3.37Å; E453-H455 IonicContact OE1-NE2 3.68Å
456H66.6Low63.1Low150 Ų150153.2 Ų153.269%0.69473%0.734SS**  trans-108.895.3177.4-71.1-85.4000110.8H454 H458H454-H456 PolarHBondContact O-CD2 3.3Å; H456-H458 PolarHBondContact O-ND1 3.03Å; H456-H458 VanDerWaalsContact O-ND1 3.08Å
457H64.3Low63.3Low179 Ų179159.2 Ų159.283%0.82974%0.74SS**  trans-70.5134.2170.6-63.3-31.7000110.6
458H67.2Low63.1Low152 Ų152160.6 Ų160.670%0.70474%0.739SS**  trans-114.3128.8174.6-71.468.7000108.2H456H456-H458 PolarHBondContact O-ND1 3.03Å; H456-H458 VanDerWaalsContact O-ND1 3.08Å
459E64Low63.1Low161 Ų161164.2 Ų164.275%0.75275%0.745SS**  trans-103.8128.1178.7-168.5174.9165.100109.6H461E459-H461 IonicContact OE1-CE1 3.14Å; E459-H461 PolarHBondContact OE1-CE1 2.77Å; E459-H461 IonicContact OE1-ND1 3.47Å
460H65.4Low62.6Low149 Ų149167.8 Ų167.869%0.6977%0.768SS**  trans-106.3104.8-176.4-68.9-79.7000110.7H462H460-H462 PolarHBondContact O-N 3.19Å
461H61.1Low62.1Low138 Ų138168.5 Ų168.564%0.63977%0.77SS**  trans-85.2100.9178.2-61-44.9000112.1E459 H463E459-H461 IonicContact OE1-CE1 3.14Å; E459-H461 PolarHBondContact OE1-CE1 2.77Å; E459-H461 IonicContact OE1-ND1 3.47Å; H461-H463 PolarHBondContact O-N 3.09Å; H461-H463 PolarHBondContact O-ND1 3.05Å
462H65.6Low61.8Low166 Ų166166 Ų16677%0.76977%0.768SS**  trans-70.3121.8173.8-62.1-77.5000111.7H460H460-H462 PolarHBondContact O-N 3.19Å
463H60.4Low61.7Low164 Ų164167.9 Ų167.976%0.75978%0.777SS**  trans-90.8116.4172.1-77.762.3000110.3H461H461-H463 PolarHBondContact O-N 3.09Å; H461-H463 PolarHBondContact O-ND1 3.05Å
464Y56.7Low61.4Low206 Ų206169 Ų16981%0.80878%0.781SS**  trans-85116172.5-89.3-92.8000110.8
465H62.8Low61Low160 Ų160170.3 Ų170.374%0.74179%0.787SS**  trans-86.2108.8168.2-80.2-89.6000110.4F467H465-F467 HydrophobicContact CB-CE2 4.5Å; H465-F467 PolarHBondContact O-N 3.2Å
466H58.2Low60.7Low155 Ų155172.4 Ų172.472%0.71880%0.797SS**  trans-76.6108.6167.5-72.3-83.1000110Y468H466-Y468 HydrophobicContact CB-CE2 4.46Å; H466-Y468 PolarHBondContact O-N 3.22Å
467F55.3Low60.3Low200 Ų200174 Ų17488%0.87780%0.804SS**PPolyproline II helixtrans-77.6116.9164.4-80.6-89.9000109.4H465H465-F467 HydrophobicContact CB-CE2 4.5Å; H465-F467 PolarHBondContact O-N 3.2Å
468Y53.8Low60Low206 Ų206173.6 Ų173.681%0.80880%0.802SS**PPolyproline II helixtrans-82.6125.9162.8-75.8-90.9000108.4H466H466-Y468 HydrophobicContact CB-CE2 4.46Å; H466-Y468 PolarHBondContact O-N 3.22Å
469Q56.8Low59.4Low198 Ų198175.4 Ų175.493%0.92581%0.81SS**PPolyproline II helixtrans-93128.3175.1-166.9165.519.300109.3
470T52.8Low59Low202 Ų202176.7 Ų176.7100%1.23982%0.816SS**  trans-124.40178.457.30000109.7

Retrieved 470 of 470 residues in 72.2 ms (Link to these results)