A0A087X1J5_HUMAN Loading...

Sterile alpha motif domain containing 11

AlphaFold DB , UniProt , Accession A0A087X1J5, Species HUMAN (Homo sapiens, Human), Gene SAMD11, Length 619 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
1M38.3Very low46.7Very low246 Ų246150.9 Ų150.9100%1.21284%0.836SS**  01500-68.6171.871.800108.6
2S46.4Very low47.6Very low116 Ų116150.5 Ų150.581%0.81183%0.829SS**  trans-97.9144.1-169.1-41.70000113.4
3K45.9Very low48.5Very low219 Ų219143.8 Ų143.895%0.95280%0.798SS**  trans175.8138.7156.4-96.6152.2-175.7-176.80107.1
4G40.7Very low48.9Very low73 Ų73144.9 Ų144.975%0.75380%0.802SS**  cis164.999.9-6.800000109.5
5I49.4Very low49.9Very low168 Ų168139.3 Ų139.386%0.86278%0.776SS**  trans-85.7126.7-176.6-60.8175000109.5Q7I5-Q7 PolarHBondContact O-N 3.23Å; I5-Q7 VanDerWaalsContact O-N 3.1Å
6L44.3Very low49.8Very low164 Ų164140 Ų14086%0.85979%0.789SS**  trans-73.995.6174.1-91.5157.7000110.3V8L6-V8 PolarHBondContact O-N 3.31Å
7Q44.4Very low50.4Low158 Ų158135.9 Ų135.974%0.73879%0.785SS**  trans-8195.7175.9-172.7168.814.900110.3I5 H9I5-Q7 PolarHBondContact O-N 3.23Å; I5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-H9 PolarHBondContact O-N 3.15Å
8V48.8Very low51.1Low133 Ų133132.6 Ų132.681%0.80677%0.77SS**PPolyproline II helixtrans-70.7117.5171.6-75.70000110.2L6L6-V8 PolarHBondContact O-N 3.31Å
9H45.1Very low51.3Low151 Ų151138.8 Ų138.870%0.69978%0.779SS**PPolyproline II helixtrans-77.8141.8174.2-79.1-103.6000110.8Q7Q7-H9 PolarHBondContact O-N 3.15Å
10P56.5Low51Low102 Ų102140 Ų14066%0.66278%0.782SS**PPolyproline II helixtrans-66.6153.416830.3-34.8000110.6I12P10-I12 PolarHBondContact O-N 2.73Å
11P53.7Low50.5Low130 Ų130138.7 Ų138.784%0.84478%0.782SS**PPolyproline II helixtrans-63.4130.3-179.626.2-34.3000111.3
12I57.5Low50.5Low146 Ų146131.5 Ų131.575%0.74976%0.756SS**PPolyproline II helixtrans-77.7134.7174.8-57.2173.1000108.1P10P10-I12 PolarHBondContact O-N 2.73Å
13C59.7Low50.5Low64 Ų64132.2 Ų132.243%0.43276%0.758SS.*  trans-104.2105175.8136.60000109.1C15 C18C13-C15 WeakPolarHBondContact CB-SG 3.44Å; C13-C15 PolarHBondContact O-N 2.74Å; C13-C15 WeakPolarHBondContact SG-CB 3.38Å; C13-C15 CovalentContact SG-SG 2.04Å; C13-C15 PolarHBondContact SG-SG 3.03Å; C13-C18 PolarHBondContact SG-SG 2.99Å
14D53.6Low50.6Low158 Ų158126.7 Ų126.785%0.84574%0.742SS**  trans-75.745.4175-65.9-50.5000111.6
15C64.6Low50.3Low62 Ų62130.1 Ų130.142%0.41974%0.743SS.*  trans-92.3129.3-176-41.60000108.8C13 G17 C18C13-C15 WeakPolarHBondContact CB-SG 3.44Å; C13-C15 PolarHBondContact O-N 2.74Å; C13-C15 WeakPolarHBondContact SG-CB 3.38Å; C13-C15 CovalentContact SG-SG 2.04Å; C13-C15 PolarHBondContact SG-SG 3.03Å; C15-G17 PolarHBondContact O-N 3.2Å; C15-C18 HydrophobicContact CB-CB 4.47Å; C15-C18 PolarHBondContact O-N 3.16Å
16P48.5Very low50.1Low150 Ų150134.8 Ų134.897%0.97475%0.75SS**THydrogen-bonded Turntrans-70.320.2-167.927.8-36000116.4
17G60.3Low50.1Low70 Ų70129.7 Ų129.772%0.72274%0.737SS**THydrogen-bonded Turntrans-131.1-3.8170.200000114.9C15 R19C15-G17 PolarHBondContact O-N 3.2Å; G17-R19 PolarHBondContact O-N 2.73Å
18C62.8Low50.3Low76 Ų76134.2 Ų134.251%0.51475%0.747SS.*  trans-81.877.5-170.6-83.20000114.4C13 C15 I20C13-C18 PolarHBondContact SG-SG 2.99Å; C15-C18 HydrophobicContact CB-CB 4.47Å; C15-C18 PolarHBondContact O-N 3.16Å; C18-I20 VanDerWaalsContact C-N 3.3Å; C18-I20 PolarHBondContact O-N 2.93Å
19R53.6Low49.9Very low251 Ų251136 Ų13695%0.94775%0.751SS**  trans-8367.7164-78.6-170.4170.2-171.4-0.9112.2G17G17-R19 PolarHBondContact O-N 2.73Å
20I46.5Very low49.7Very low162 Ų162133.8 Ų133.883%0.83176%0.76SS**  trans-109.298.9160.5-58.3-177.9000107.7C18 S22C18-I20 VanDerWaalsContact C-N 3.3Å; C18-I20 PolarHBondContact O-N 2.93Å; I20-S22 PolarHBondContact O-N 3.14Å
21S39.3Very low48.7Very low113 Ų113134.3 Ų134.379%0.7976%0.757SS**  trans-73.7118.2-17751.20000111.8
22S38.3Very low48Very low96 Ų96135.9 Ų135.967%0.67175%0.75SS**  trans-65.2132.8169.2-176.10000110.9I20 V24I20-S22 PolarHBondContact O-N 3.14Å; S22-V24 VanDerWaalsContact C-N 3.28Å; S22-V24 PolarHBondContact O-N 3.18Å
23P47.9Very low47.3Very low130 Ų130140.2 Ų140.284%0.84476%0.757SS**SBendtrans-85.648.8-170.435.6-38000113.9
24V47.7Very low46.2Very low103 Ų103143.9 Ų143.962%0.62478%0.778SS**  trans-137.4144.8173.3-165.10000110.3S22S22-V24 VanDerWaalsContact C-N 3.28Å; S22-V24 PolarHBondContact O-N 3.18Å
25N34.5Very low45.4Very low146 Ų146142.9 Ų142.978%0.78178%0.778SS**  trans72.662.9178.5-54.3-50.5000116.9G27N25-G27 PolarHBondContact O-N 2.68Å
26R45.6Very low43.9Very low266 Ų266144.2 Ų144.2100%1.00479%0.793SS**  trans-87.144.1163.9-157.5177.9-174.5158.93.2112.5
27G42.3Very low43.3Very low57 Ų57144.9 Ų144.959%0.58879%0.787SS**SBendtrans-153.5136.1-177.100000112.7N25N25-G27 PolarHBondContact O-N 2.68Å
28R49.7Very low42.4Very low252 Ų252147.6 Ų147.695%0.95179%0.792SS**SBendtrans5483-178.8-67.8-178.1172.1-92.61.4116.2
29L40Very low41.1Very low170 Ų170148.4 Ų148.489%0.8981%0.805SS**  -16296115.9-166.264000110.7
30A40.5Very low40.2Very low106 Ų106141.3 Ų141.388%0.87680%0.799SS**  trans-129.180.9174.300000109.7
31D36.6Very low39.8Very low112 Ų112145.2 Ų145.260%0.59980%0.803SS**  trans-155.8148162.2-153.9-11.8000111.1
32K38.4Very low39.5Very low163 Ų163147.5 Ų147.571%0.70981%0.807SS**  trans37.2112.5158.7-82.3155-155.9132.40118.7
33R43.1Very low39.2Very low237 Ų237151.2 Ų151.289%0.89482%0.818SS**  -162.1136.763.7-100.2155.4-175.5159.61.7114.2
34T36.4Very low38.5Very low141 Ų141153.4 Ų153.487%0.86582%0.815SS**  trans-91126.8165.3-48.30000110.2
35V36.8Very low37.9Very low138 Ų138158 Ų15884%0.83683%0.826SS**  trans-141.7140.1157.8-176.40000107.4
36A33.3Very low37.9Very low89 Ų89157.8 Ų157.874%0.73682%0.821SS**PPolyproline II helixtrans-93.9157.3-16800000114.3
37L35.9Very low37.1Very low165 Ų165156.2 Ų156.286%0.86482%0.815SS**PPolyproline II helixtrans-78.3143.8159.8-64.8172.4000109.7
38P40.9Very low36.8Very low126 Ų126159.7 Ų159.782%0.81882%0.824SS**PPolyproline II helixtrans-73.6136.4177.630-34000111.8
39A35Very low36.4Very low94 Ų94153 Ų15378%0.77781%0.813SS**PPolyproline II helixtrans-84.3142.6177.600000112.3
40A34.8Very low36Very low101 Ų101148.8 Ų148.884%0.83580%0.798SS**PPolyproline II helixtrans-67.2134.217300000111.3
41R39.7Very low35.6Very low244 Ų244153 Ų15392%0.92180%0.797SS**PPolyproline II helixtrans-96.9120.7173.6-83.2-175.6160.4-177.8-6.2110.8
42N31.2Very low35.3Very low161 Ų161153.3 Ų153.386%0.86181%0.809SS**PPolyproline II helixtrans-67.3150.4163.5-83.6-96.4000110.1
43L33.7Very low35.3Very low174 Ų174150.3 Ų150.391%0.91181%0.814SS**  trans-131.7109.3164.8-152.6137.5000109
44K32.8Very low35Very low177 Ų177144.7 Ų144.777%0.7781%0.811SS**  trans-103.2125-174.9171.8179.7177.7174.70109.8
45K34.6Very low35.3Very low200 Ų200145.5 Ų145.587%0.8781%0.81SS**  trans-152.9131.5154-155.1163.4-174.41770112
46E33.6Very low35.5Very low141 Ų141142.9 Ų142.966%0.65981%0.811SS**  trans-89.5150.1172.6-56.4171.9140.100110.1
47R29.8Very low35.8Very low233 Ų233146 Ų14688%0.87982%0.816SS**  171.3132.2100.1-93.8-167.9173.8-160.9-4.7113.1
48T35.4Very low36.2Very low129 Ų129143.9 Ų143.979%0.79181%0.814SS**  trans-65.6164.9153.89.40000110.6
49P42.7Very low36.5Very low111 Ų111146 Ų14672%0.72182%0.819SS**  -156.9-177.657.445-23.6000119.8
50S31.6Very low36.7Very low82 Ų82145.1 Ų145.157%0.57382%0.818SS**  trans85.5110.8141.1-73.40000122.9
51F30.6Very low36.9Very low194 Ų194146.6 Ų146.685%0.85182%0.823SS**  trans63.7152.9140.5-50.8-55.9000118.7
52S31.7Very low36.6Very low120 Ų120138.3 Ų138.384%0.83981%0.813SS**  cis-138176.77-79.60000111.7
53A37.6Very low37.5Very low100 Ų100136.9 Ų136.983%0.82681%0.813SS**  trans-89.3168.7176.900000114.6
54S37.7Very low37.7Very low118 Ų118135.5 Ų135.583%0.82581%0.812SS**  trans-160138.6149-173.90000110.2
55D42.9Very low37.8Very low159 Ų159133.5 Ų133.585%0.8582%0.819SS**  trans-79.6170.1171.6-50.7-84.8000111.9
56G39.4Very low37.8Very low83 Ų83127.5 Ų127.586%0.85681%0.814SS**  trans178.4101175.700000113.6
57D40.1Very low37.7Very low155 Ų155132.1 Ų132.183%0.82983%0.825SS**  trans-105.6148.8-178.2-171.45.5000111.4
58S45.2Very low38.1Very low120 Ų120132.3 Ų132.384%0.83983%0.826SS**  trans171.2125.8157.6-79.70000113.7
59D46.9Very low38.5Very low170 Ų170131.8 Ų131.891%0.90982%0.824SS**  trans-72.6155.6159.5-92-52.3000112.6
60G39.3Very low37.9Very low75 Ų75129.8 Ų129.877%0.77382%0.824SS**  trans-161.3100.217800000114.9
61S38.7Very low38.2Very low132 Ų132134.4 Ų134.492%0.92384%0.842SS**  trans-76.1149.3-176.3-42.40000114.6
62G33.8Very low38.3Very low70 Ų70134.3 Ų134.372%0.72284%0.841SS**  trans162.5104.4161.600000116.9
63P49.5Very low38.5Very low131 Ų131137.1 Ų137.185%0.85184%0.841SS**  trans-93.8131.2174.434.3-30.2000112.5
64T37.8Very low38.3Very low146 Ų146139.7 Ų139.790%0.89684%0.835SS**  trans-133.2130.4163.354.40000111.6
65C35.2Very low38.1Very low135 Ų135141.3 Ų141.391%0.91284%0.835SS**  trans-92.1128.7179.552.10000110.8
66G33.9Very low37.8Very low74 Ų74135.9 Ų135.976%0.76382%0.816SS**  trans-158.390.3-171.400000116.4
67R31.5Very low38.3Very low238 Ų238137.8 Ų137.890%0.89881%0.814SS**  trans60.9100.3142.2-152.7167.1-160.8-94.84.1119.3
68R38.5Very low38.1Very low237 Ų237138.4 Ų138.489%0.89481%0.811SS**  trans-51.8154.2148.1-80.2-174.3179.8-152.30.1110.3
69P44Very low37.7Very low117 Ų117140 Ų14076%0.7681%0.809SS**  cis-152.6159.74741.4-21000120.1
70G30.7Very low37.3Very low70 Ų70142.3 Ų142.372%0.72281%0.805SS**  trans95.7143.1130.200000119.1
71L37.4Very low37.4Very low179 Ų179145.9 Ų145.994%0.93781%0.805SS**  trans58.291.5157-52-179.3000118.2
72K33.5Very low37.2Very low191 Ų191147.6 Ų147.683%0.8380%0.8SS**  -147.7158.2116.7-148.3168.2-179.1-176.70111.5E74K72-E74 WeakPolarHBondContact CB-OE1 3.47Å
73Q34.4Very low37.4Very low180 Ų180153.8 Ų153.884%0.84181%0.807SS**  trans-118.6118.3179.2178.5171.60.700107.4
74E34.3Very low36.7Very low153 Ų153157.8 Ų157.872%0.71581%0.805SS**  trans-99.4127.1-177.4-40.9-65.598.800108.6K72K72-E74 WeakPolarHBondContact CB-OE1 3.47Å
75D34.1Very low36.6Very low153 Ų153161.1 Ų161.182%0.81880%0.801SS**  trans-83.6138.7-174.3-139.5-48.8000112.3
76G36.5Very low36.5Very low44 Ų44159.4 Ų159.445%0.45479%0.786SS.*  trans-121.5121.6-178.200000110.7H78G76-H78 PolarHBondContact O-N 3.48Å; G76-H78 VanDerWaalsContact O-N 3.15Å; G76-H78 PolarHBondContact O-ND1 2.86Å
77P48.3Very low36.6Very low124 Ų124163.8 Ų163.881%0.80579%0.787SS**  trans-63.9118.6-165.523-33.4000112.9I79P77-I79 PolarHBondContact O-N 2.97Å
78H36.8Very low37Very low168 Ų168157 Ų15778%0.77877%0.772SS**  trans-6897.5179.9-80.741.6000112.5G76 R80G76-H78 PolarHBondContact O-N 3.48Å; G76-H78 VanDerWaalsContact O-N 3.15Å; G76-H78 PolarHBondContact O-ND1 2.86Å; H78-R80 PolarHBondContact O-N 3.27Å
79I37.1Very low37Very low154 Ų154152.8 Ų152.879%0.7976%0.762SS**  trans-73.793.2165.5-59-177.7000108.8P77 I81P77-I79 PolarHBondContact O-N 2.97Å; I79-I81 PolarHBondContact O-N 2.87Å
80R37.5Very low36.5Very low218 Ų218157.1 Ų157.182%0.82376%0.763SS**  trans-68.694.1177.5-61.7176.577.8-170.37.1110.1H78 M82H78-R80 PolarHBondContact O-N 3.27Å; R80-M82 PolarHBondContact O-N 2.87Å
81I42.4Very low36.7Very low150 Ų150160 Ų16077%0.76976%0.763SS**  trans-63.197.2172.5-58.8178.2000109I79 K83I79-I81 PolarHBondContact O-N 2.87Å; I81-K83 PolarHBondContact O-N 2.92Å
82M33.8Very low36.7Very low167 Ų167156.6 Ų156.682%0.82375%0.749SS**  trans-69.193.4175.4-70.5-169.87400109.8R80 R84R80-M82 PolarHBondContact O-N 2.87Å; M82-R84 PolarHBondContact O-N 3.29Å
83K37.9Very low36.5Very low200 Ų200154.3 Ų154.387%0.8775%0.746SS**  trans-68.375.9178-158.1168.5-170.7171.10110.3I81 R85I81-K83 PolarHBondContact O-N 2.92Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.31Å
84R34.8Very low36.5Very low216 Ų216152.1 Ų152.182%0.81574%0.738SS**  trans-70.478.6-172.4-161.9-169.2-59.5176.82.4111M82 V86M82-R84 PolarHBondContact O-N 3.29Å; R84-V86 VanDerWaalsContact C-N 3.33Å; R84-V86 HydrophobicContact CG-CG2 4.22Å; R84-V86 PolarHBondContact O-N 3.23Å
85R36.8Very low36.3Very low215 Ų215149.3 Ų149.381%0.81174%0.735SS**  trans-66.389.2171.6-174.6-165.1-63.6-143.42.8109.1K83 H87K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.31Å; R85-H87 PolarHBondContact O-N 3.43Å; R85-H87 VanDerWaalsContact O-N 3.13Å
86V32.8Very low36Very low99 Ų99151.2 Ų151.260%0.674%0.737SS**  trans-7599168.4179.50000107.7R84 T88R84-V86 VanDerWaalsContact C-N 3.33Å; R84-V86 HydrophobicContact CG-CG2 4.22Å; R84-V86 PolarHBondContact O-N 3.23Å; V86-T88 HydrophobicContact CG1-CG2 3.69Å
87H35.4Very low35.7Very low167 Ų167160.1 Ų160.177%0.77376%0.757SS**  trans-90.9111.5162.7-123.138.3000106.8R85R85-H87 PolarHBondContact O-N 3.43Å; R85-H87 VanDerWaalsContact O-N 3.13Å
88T39.9Very low34.9Very low95 Ų95162.1 Ų162.158%0.58376%0.755SS**  trans-118.690.7172.344.40000109.1V86 W90V86-T88 HydrophobicContact CG1-CG2 3.69Å; T88-W90 PolarHBondContact O-N 3.27Å
89H37.8Very low34.6Very low148 Ų148159.1 Ų159.169%0.68576%0.76SS**  trans-66.8120.9164179.4-85.4000108.8D91H89-D91 IonicContact CE1-OD2 3.45Å; H89-D91 PolarHBondContact CE1-OD2 2.92Å; H89-D91 IonicContact NE2-OD2 2.72Å
90W33.9Very low34.5Very low208 Ų208156 Ų15679%0.78875%0.752SS**  trans-132.676.7173.7-73.1115.8000109.7T88 V92T88-W90 PolarHBondContact O-N 3.27Å; W90-V92 PolarHBondContact O-N 3.36Å
91D36.4Very low34.1Very low132 Ų132151.3 Ų151.371%0.70675%0.751SS**  trans-59.2116.3156.4-93.6-28.8000108.6H89H89-D91 IonicContact CE1-OD2 3.45Å; H89-D91 PolarHBondContact CE1-OD2 2.92Å; H89-D91 IonicContact NE2-OD2 2.72Å
92V36.1Very low33.5Very low106 Ų106149.1 Ų149.164%0.64275%0.749SS**  trans-122.283166.9-170.70000107.4W90 I94W90-V92 PolarHBondContact O-N 3.36Å; V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 HydrophobicContact CG1-CD1 4.29Å; V92-I94 HydrophobicContact CG1-CG1 3.87Å; V92-I94 PolarHBondContact O-N 3.23Å
93N30.8Very low33.6Very low144 Ų144148.7 Ų148.777%0.7775%0.745SS**  trans-7084177.1-177.4-4000110.5S95N93-S95 PolarHBondContact O-N 2.96Å; N93-S95 VanDerWaalsContact O-N 3.12Å
94I33.1Very low33.4Very low133 Ų133146 Ų14668%0.68274%0.74SS**  trans-80.687.8171.3-52.7-174.5000108.4V92 F96V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 HydrophobicContact CG1-CD1 4.29Å; V92-I94 HydrophobicContact CG1-CG1 3.87Å; V92-I94 PolarHBondContact O-N 3.23Å; I94-F96 PolarHBondContact O-N 2.67Å
95S30.2Very low33.2Very low94 Ų94139.3 Ų139.366%0.65774%0.738SS**  trans-71.892.1171.942.30000110.4N93 R97N93-S95 PolarHBondContact O-N 2.96Å; N93-S95 VanDerWaalsContact O-N 3.12Å; S95-R97 VanDerWaalsContact C-N 3.33Å; S95-R97 PolarHBondContact O-N 2.68Å
96F27.9Very low32.9Very low194 Ų194137 Ų13785%0.85174%0.742SS**  trans-73.490.4171-140.5-85.4000109.3I94 E98I94-F96 PolarHBondContact O-N 2.67Å; F96-E98 PolarHBondContact O-N 2.83Å
97R30.5Very low32.9Very low230 Ų230140.2 Ų140.287%0.86876%0.755SS**  trans-79.2110.4-173.6-160.1172.9-165.6-104.23.8109.9S95 A99S95-R97 VanDerWaalsContact C-N 3.33Å; S95-R97 PolarHBondContact O-N 2.68Å; R97-A99 PolarHBondContact O-N 3.46Å
98E31.3Very low33.5Very low166 Ų166137.1 Ų137.178%0.77675%0.75SS**  trans-54.2133.6174.2-73.1-179.6103.900111.6F96F96-E98 PolarHBondContact O-N 2.83Å
99A31Very low33.1Very low106 Ų106137.8 Ų137.888%0.87675%0.754SS**  trans-109.969.4170.200000109R97R97-A99 PolarHBondContact O-N 3.46Å
100S34.8Very low33Very low88 Ų88137.9 Ų137.962%0.61576%0.759SS**  trans-80.7126.6-175.7-61.10000112.9
101C27.7Very low33Very low120 Ų120134.7 Ų134.781%0.81176%0.755SS**  trans-145.3120.8153-90.60000106.7
102S30.8Very low32.7Very low104 Ų104133.6 Ų133.673%0.72776%0.758SS**  78129.163.7179.20000111.8
103Q35.9Very low32.4Very low157 Ų157133.5 Ų133.573%0.73476%0.763SS**  cis-166.1162-7.1169.2170.83.200109.9
104D33.1Very low32.3Very low143 Ų143132 Ų13277%0.76576%0.758SS**  trans13134.4163.5-53.9-39.1000121.8
105G30.3Very low32.3Very low76 Ų76132.7 Ų132.778%0.78476%0.758SS**  trans-171.3121.9167.200000115.7
106N30.6Very low32.4Very low168 Ų168137.8 Ų137.890%0.89876%0.763SS**  trans-78157.8-174.9-66.2-86.8000114.8
107L33Very low32.3Very low166 Ų166133.9 Ų133.987%0.86976%0.76SS**  trans-61.1168.5154.1-126.667.5000110.2
108P49.5Very low32.5Very low102 Ų102133 Ų13366%0.66276%0.756SS**  cis-146.5-179.35.938.6-16.4000118.3
109T31.5Very low32.6Very low109 Ų109133 Ų13367%0.66976%0.756SS**  trans76.9123.1151.5-14.50000120.8I111T109-I111 HydrophobicContact CG2-CD1 4.41Å; T109-I111 HydrophobicContact CG2-CG1 4.38Å
110L34.9Very low32.6Very low150 Ų150133.9 Ų133.979%0.78575%0.746SS**  -176.1116.3112-85.8-179.8000106.5
111I33.4Very low32.3Very low140 Ų140135.2 Ų135.272%0.71875%0.75SS**  67.6126.382.1-69.2-175.9000111.3T109T109-I111 HydrophobicContact CG2-CD1 4.41Å; T109-I111 HydrophobicContact CG2-CG1 4.38Å
112S30.5Very low32.8Very low109 Ų109137.9 Ų137.976%0.76275%0.753SS**  cis-153.9-174.732.4-152.20000116.4
113S29Very low33.3Very low105 Ų105138.2 Ų138.273%0.73475%0.752SS**  trans76.8102.9169.7-123.70000116.8
114V28.9Very low33.3Very low113 Ų113139.7 Ų139.769%0.68576%0.759SS**  69.3112.753.5-174.20000110.5
115H33.4Very low33Very low147 Ų147141.4 Ų141.468%0.68176%0.762SS**  -152166.756.1-116.9-40.8000110.2
116R31.5Very low33.2Very low200 Ų200145.6 Ų145.676%0.75576%0.761SS**  cis-159.7167.54.6-160.8164.2-165.2143.31.2110.3
117S27.2Very low32.9Very low112 Ų112143 Ų14378%0.78376%0.756SS**  trans6295.2163.2-62.70000119.4
118R34.4Very low32.7Very low211 Ų211144 Ų14480%0.79675%0.748SS**  trans-100.9158.2151.6-60.5170.9176.7177-3.2109.2
119H32.8Very low31.6Very low167 Ų167145.5 Ų145.577%0.77376%0.76SS**  158.5150.1119.7-97.5-99.5000110.7
120L32.2Very low31.4Very low124 Ų124146.9 Ų146.965%0.64976%0.759SS**  cis172.9176.1-41.4-107168.2000107.5
121V26.9Very low31Very low117 Ų117148.5 Ų148.571%0.70976%0.76SS**  trans85.2117.3163.9-169.10000117.3
122M39.8Very low30.8Very low176 Ų176149.3 Ų149.387%0.86776%0.761SS**  trans-98.1143.1150.3-77.4-71.7-64.100108.8
123P40.3Very low30.8Very low111 Ų111156 Ų15672%0.72177%0.769SS**  trans-129.5145.8159.836.6-23.9000113.5
124E35.3Very low30.7Very low188 Ų188154.5 Ų154.588%0.87977%0.77SS**  trans-98.4132.7167.7-59.8162.9105.800109.6
125H28.3Very low30.7Very low179 Ų179154.4 Ų154.483%0.82978%0.775SS**  trans-166.9163.4141.4-132.8-96.8000115
126Q33.4Very low30.6Very low163 Ų163154.4 Ų154.476%0.76278%0.779SS**  trans-76.2142.6170-55.7165.4-12.900111.8
127S25.7Very low30.7Very low114 Ų114151.3 Ų151.380%0.79777%0.773SS**  176.9121.8122.539.70000115.8
128R27.1Very low30.9Very low186 Ų186152.8 Ų152.870%0.70277%0.771SS**  26.6120128.9-163.9177.1-163-89.9-5.3119.9E130R128-E130 IonicContact CZ-OE1 3.42Å; R128-E130 IonicContact CZ-OE2 2.63Å; R128-E130 IonicContact NH1-OE1 2.68Å; R128-E130 IonicContact NH1-OE2 3.17Å; R128-E130 PolarHBondContact NH1-OE2 3.03Å; R128-E130 IonicContact NH2-OE1 3.43Å; R128-E130 PolarHBondContact NH2-OE1 3.41Å; R128-E130 IonicContact NH2-OE2 3.56Å; R128-E130 PolarHBondContact NH2-OE2 3.32Å
129C26.3Very low30.6Very low135 Ų135145.8 Ų145.891%0.91276%0.764SS**  trans-119.8144151.7-67.90000110.7
130E27.4Very low30.5Very low137 Ų137146.2 Ų146.264%0.6477%0.771SS**  trans-116.8135.1174.7-77.5179.112800111.1R128R128-E130 IonicContact CZ-OE1 3.42Å; R128-E130 IonicContact CZ-OE2 2.63Å; R128-E130 IonicContact NH1-OE1 2.68Å; R128-E130 IonicContact NH1-OE2 3.17Å; R128-E130 PolarHBondContact NH1-OE2 3.03Å; R128-E130 IonicContact NH2-OE1 3.43Å; R128-E130 PolarHBondContact NH2-OE1 3.41Å; R128-E130 IonicContact NH2-OE2 3.56Å; R128-E130 PolarHBondContact NH2-OE2 3.32Å
131F27Very low30.5Very low184 Ų184151.2 Ų151.281%0.80778%0.781SS**  trans-174.7145.8151.6-120.1-134.4000106.9
132Q29.4Very low31.4Very low157 Ų157150.9 Ų150.973%0.73478%0.782SS**  cis-148.2154.3-5.9-157.2174.77.500110.9
133R30.3Very low31Very low250 Ų250147.5 Ų147.594%0.94378%0.782SS**  trans-42.6130.5177.4177.6-174.1-64.4160.6-1115.8
134G27.6Very low30.5Very low73 Ų73146.1 Ų146.175%0.75379%0.788SS**  trans-165.6109.3168.200000114.5
135S27.5Very low30.6Very low112 Ų112144.4 Ų144.478%0.78379%0.785SS**  trans-18.4136169.7-700000120
136L31.8Very low31.1Very low146 Ų146142.6 Ų142.676%0.76478%0.78SS**  77133.778.4-154.784.4000111.5
137E33.2Very low31.2Very low136 Ų136141.5 Ų141.564%0.63678%0.779SS**  cis-118.5150.314.4-78.9-80.210800110.7
138I31.7Very low31.5Very low142 Ų142139.3 Ų139.373%0.72877%0.774SS**  57.1121.776.1-55.2-179.5000115.4
139G28.4Very low32.1Very low64 Ų64138.1 Ų138.166%0.6677%0.774SS**  trans146110.5142.900000121.3
140L31.9Very low32.4Very low176 Ų176141.8 Ų141.892%0.92177%0.769SS**  trans67.4111.4131.2-55-178.7000123.3
141R31.1Very low32.7Very low229 Ų229143.4 Ų143.486%0.86478%0.781SS**  trans-61.8162.6134.3-118.4-163.6-86.9130-9.2109.2
142P46.9Very low32.9Very low111 Ų111137.9 Ų137.972%0.72178%0.776SS**  cis-151.2-175.543.243.3-22.2000117.7
143A30.2Very low32.9Very low104 Ų104142.7 Ų142.786%0.8679%0.788SS**  trans38.5145.5143.500000122.7
144G30.7Very low33Very low82 Ų82135.3 Ų135.385%0.84578%0.775SS**  trans175.583173.500000115
145D36.4Very low33.9Very low153 Ų153137.3 Ų137.382%0.81877%0.774SS**  trans-68.1172.5-175.7-138.4-36.4000116.6
146L38.1Very low34.1Very low140 Ų140142.4 Ų142.473%0.73378%0.777SS**  trans82.7136.5153.4-65.4162.8000124.9
147L37.4Very low34.2Very low141 Ų141143 Ų14374%0.73878%0.778SS**  trans57.3111.8143.2-68.6163.4000120.4
148G31.7Very low33.9Very low68 Ų68140.9 Ų140.970%0.70178%0.779SS**  cis132.7176.518.300000112.8
149K38.2Very low33.9Very low161 Ų161138.1 Ų138.170%0.777%0.772SS**  trans85.299.2158.2-52.8162.3-172.5166.30121
150R33.6Very low34.2Very low211 Ų211142 Ų14280%0.79678%0.778SS**  86.2147.2127.7-81.8-168.4-71.2-112.46.2122.7
151L33.2Very low34.1Very low171 Ų171139 Ų13990%0.89577%0.77SS**  trans73.8127.5161.3-64.9150.2000116.9
152G31.1Very low34Very low69 Ų69137.6 Ų137.671%0.71177%0.771SS**  cis167.8-175.3-9.800000115.4
153R30.6Very low33.4Very low257 Ų257136 Ų13697%0.9776%0.762SS**  trans75.5115.7170.8-59.6-175.3179.9-116.3-0118.7
154S31.3Very low33.4Very low96 Ų96137.4 Ų137.467%0.67175%0.751SS**  trans-103.6161151.9170.70000108.3R156S154-R156 PolarHBondContact OG-N 3.08Å
155P47.5Very low33.4Very low115 Ų115143.4 Ų143.475%0.74775%0.754SS**  -124.6157.1106.938.9-32.7000110.7
156R32Very low33.2Very low219 Ų219146.1 Ų146.183%0.82675%0.753SS**  cis65.2142.344.3-55.7-74.2-161.1171.25.3110.5S154S154-R156 PolarHBondContact OG-N 3.08Å
157I33.4Very low32.8Very low157 Ų157143.8 Ų143.881%0.80575%0.754SS**  cis-124.3159.311.9-70.3174.5000106.3
158S26.8Very low32.4Very low92 Ų92147.9 Ų147.964%0.64376%0.76SS**  cis-122-167.232.6-102.60000112.9
159S31.6Very low32.4Very low84 Ų84148.6 Ų148.659%0.58775%0.753SS**  cis81.3148.516.2110.30000115.9
160D34.7Very low31.9Very low146 Ų146149.9 Ų149.978%0.78176%0.762SS**  cis-127158.3-4.2-86.1-63.6000114
161C29.6Very low31.6Very low113 Ų113145 Ų14576%0.76476%0.76SS**  trans-141.6175.3174-84.30000109.5
162F29.3Very low32.2Very low199 Ų199142.1 Ų142.187%0.87375%0.752SS**  trans113.7145.9170.9-64.9-58.1000114.6
163S33.4Very low32Very low77 Ų77148.7 Ų148.754%0.53876%0.764SS.*  cis-147.8141-6.4-124.90000114.9
164E30.9Very low31.9Very low135 Ų135143.4 Ų143.463%0.63176%0.755SS**  trans40.4129.2134.4-67.8176.795.700122.8R166E164-R166 IonicContact OE1-NE 3.75Å
165K30.3Very low31.8Very low208 Ų208145.4 Ų145.490%0.90476%0.758SS**  -148.6122.698.4-135.2167.2-173.6171.10115.6
166R32Very low31.1Very low209 Ų209147.5 Ų147.579%0.78976%0.761SS**  trans-24.9155.6156.1-71.8165.8174.7-100.9-2.1116.4E164E164-R166 IonicContact OE1-NE 3.75Å
167A29.8Very low31.1Very low92 Ų92147.7 Ų147.776%0.7676%0.762SS**  cis-151-177.57.300000109.6
168R29.8Very low30.9Very low227 Ų227146.2 Ų146.286%0.85776%0.76SS**  cis-165.6159.826.5-148.7-173.1-149.9-175.75.7110.3
169S31.1Very low31Very low82 Ų82151.5 Ų151.557%0.57377%0.766SS**  trans29.2136.6148.754.40000121
170E28.7Very low31Very low188 Ų188153 Ų15388%0.87976%0.764SS**  cis-167.71733.5-118.6160.2112.900109.4
171S26.7Very low30.8Very low109 Ų109153.8 Ų153.876%0.76276%0.763SS**  trans-163.1-174.7179.174.30000110.6
172P45.5Very low30.7Very low110 Ų110155.2 Ų155.271%0.71477%0.768SS**  cis-125.4166.8-31.437.4-24.8000112
173Q27.9Very low30.7Very low207 Ų207150.3 Ų150.397%0.96776%0.764SS**  trans-145.6160.8153.7-76.8-154.9-6.500111.7
174D28.4Very low30.5Very low147 Ų147151.1 Ų151.179%0.78678%0.775SS**  trans-119.9158.3-153.7-135.2-35.5000114.1
175L29.3Very low30.3Very low138 Ų138149.5 Ų149.572%0.72379%0.785SS**  trans29.2114.3150.6-105.8161.8000120.9
176L31.7Very low30.3Very low158 Ų158143.8 Ų143.883%0.82778%0.777SS**  159.9149.4115.3-86.5168.4000117.3
177R32.8Very low30.2Very low223 Ų223141.4 Ų141.484%0.84278%0.779SS**  trans68.196.9139.5-173-179.2168.2176.3-4122.2
178V27.7Very low30.4Very low126 Ų126148.8 Ų148.876%0.76479%0.787SS**  38129.8110.5177.20000121.6
179R29.5Very low30.7Very low204 Ų204141.4 Ų141.477%0.7778%0.781SS**  trans101.8111.3152.6-92.3-178.287.5-176.74.7121.5
180Q32Very low31.8Very low116 Ų116143.5 Ų143.554%0.54279%0.793SS.*  88.6137.7117.2-166.5151.72.800122.6
181E29.8Very low31.9Very low161 Ų161140.9 Ų140.975%0.75280%0.796SS**  trans66.4136.7163-84.8150.7-149.100118.2
182V27.9Very low32Very low143 Ų143138.8 Ų138.887%0.86779%0.791SS**  -147.6163.172.5157.30000112.1
183A29.4Very low31.4Very low97 Ų97141.3 Ų141.380%0.80280%0.798SS**  trans-126.4158.4175.800000113.6
184A28.4Very low31.4Very low93 Ų93139.7 Ų139.777%0.76979%0.79SS**  trans-148.6120.4167.700000107.9
185A28.1Very low31.4Very low102 Ų102136 Ų13684%0.84378%0.78SS**  74.6145.383.200000112.7
186A29Very low31.3Very low88 Ų88138.3 Ų138.373%0.72779%0.787SS**  cis-159167.815.500000109
187L30.7Very low31.5Very low159 Ų159138.7 Ų138.783%0.83279%0.789SS**  cis-168.8-177.6-8.6-116.6173.6000109
188R34.6Very low32.1Very low246 Ų246133.7 Ų133.793%0.92879%0.785SS**  trans82147.8172.8-49.7174.2-177.9159.40.7115.8
189G34.6Very low32.1Very low72 Ų72133.3 Ų133.374%0.74279%0.788SS**  cis-173.6160.2-6.300000111.9
190P55.9Low32.1Very low127 Ų127128.1 Ų128.183%0.82578%0.783SS**  trans-116.7157.2-152.540.6-31.2000117.1
191S29.7Very low32.2Very low132 Ų132128.6 Ų128.692%0.92379%0.794SS**  trans-175.9160.9151.7-72.30000109.8
192G28.2Very low32.5Very low65 Ų65126.1 Ų126.167%0.6780%0.801SS**  cis154.2108.1-11.900000115.3
193L33.9Very low32.6Very low164 Ų164122.9 Ų122.986%0.85980%0.797SS**  trans64.7164.4168.1-50.4178.2000116.9
194E28.3Very low32.9Very low173 Ų173127.6 Ų127.681%0.80880%0.802SS**  cis-159.8161.7-46.3-165.2170.882.700109.9
195A27.8Very low33.2Very low68 Ų68132.2 Ų132.256%0.56280%0.8SS**  trans83.8150150.400000124
196H28.1Very low33.6Very low187 Ų187136.6 Ų136.687%0.86679%0.794SS**  trans79.5122.2157.8-56.7-58.6000123.1
197L34.3Very low34.2Very low166 Ų166140.9 Ų140.987%0.86980%0.796SS**  trans-99.7172.4158.2-60.6168.5000109.3
198P45.7Very low34.5Very low118 Ų118141.6 Ų141.677%0.76680%0.796SS**  -155.5157.994.539.2-21.3000118.3
199S28.6Very low34.4Very low118 Ų118133 Ų13383%0.82578%0.784SS**  trans64.7161.3146.2-72.10000121
200S29.7Very low34.2Very low96 Ų96138.2 Ų138.267%0.67179%0.793SS**  cis-174.2147.9-25.9-175.10000107.6
201T33.6Very low33Very low126 Ų126135.6 Ų135.677%0.77378%0.783SS**  170.9155.390.136.70000112.1
202A35.6Very low33.1Very low108 Ų108138.1 Ų138.189%0.89378%0.78SS**  trans51.3145.8153.100000121.5
203G31.2Very low33.1Very low75 Ų75141.5 Ų141.577%0.77378%0.778SS**  cis-164.8175.32.600000113.1
204Q34.3Very low33.2Very low196 Ų196141.3 Ų141.392%0.91677%0.766SS**  trans-81.6172.1-167.4-58.2152.3-4000113.1
205R34.4Very low33.2Very low191 Ų191140.4 Ų140.472%0.72176%0.762SS**  173.1126.878.7-175.9175.9-157.8-115.313.1115.7
206R38.1Very low33.3Very low193 Ų193140.4 Ų140.473%0.72877%0.768SS**  trans67.9142.4161.4-65.3171.9-179.1-164-4.3117.2
207K41.2Very low33.4Very low178 Ų178136.8 Ų136.877%0.77477%0.77SS**  cis7813932.5-65.1-172.4169.8-167.30113.6
208Q36.2Very low33.3Very low174 Ų174133.1 Ų133.181%0.81376%0.764SS**  cis-169.2170.19.9-124.5165.9-49.100111.6
209G32.2Very low33.7Very low66 Ų66133.3 Ų133.368%0.6877%0.766SS**  trans104.5139.8162.300000115.3
210L31.2Very low34.1Very low181 Ų181132.2 Ų132.295%0.94876%0.764SS**  cis60.4137.928.7-8285.9000115.3
211A30.4Very low34.2Very low72 Ų72132.8 Ų132.860%0.59577%0.774SS**  cis-170.5164.8-14.500000111.2
212Q31.3Very low34.1Very low186 Ų186131.2 Ų131.287%0.86977%0.774SS**  trans66164.7155.8-75.3-175.52600117.5
213H28.7Very low34.5Very low135 Ų135132.6 Ų132.663%0.62577%0.774SS**  cis-176.6155.3-22.5167.8-145.8000109.7
214R36Very low34.6Very low161 Ų161134 Ų13461%0.60877%0.772SS**  trans87.6136146.5-130.3176.6168.472.28.6122.6
215E29.2Very low34.3Very low154 Ų154133.9 Ų133.972%0.7277%0.769SS**  trans49.4152.5146.8-78.5158-178.700122.1
216G30.3Very low34.1Very low67 Ų67128.6 Ų128.669%0.69176%0.761SS**  cis167.9-177.7-4.500000114
217A29.4Very low33.6Very low111 Ų111126.2 Ų126.292%0.91776%0.758SS**  trans71.6153.5167.600000121
218A31.6Very low33.3Very low90 Ų90126.2 Ų126.274%0.74475%0.753SS**  trans-118.3-173165.200000108
219P55Low32.9Very low122 Ų122123.7 Ų123.779%0.79274%0.741SS**  -158.5-176.251.644.6-21.8000119.3
220A35.9Very low32.8Very low95 Ų95127.4 Ų127.479%0.78575%0.745SS**  trans81147.9138.600000125.4
221A31.7Very low33.4Very low108 Ų108124.4 Ų124.489%0.89374%0.736SS**  trans85.5150.5155.300000121.6
222A32.9Very low33.7Very low93 Ų93129.2 Ų129.277%0.76975%0.746SS**  trans-149.2168.4-174.200000111.9
223P43.3Very low33.7Very low137 Ų137126.1 Ų126.189%0.8974%0.742SS**  -146.9-158.4127.138.5-20.6000115
224S32.3Very low34.3Very low105 Ų105125 Ų12573%0.73475%0.747SS**  trans-138.4-159.8-162.961.40000115.7
225F29.6Very low35.2Very low193 Ų193122.7 Ų122.785%0.84675%0.753SS**  trans80.7150.5178.1-89.7-123.6000117.9
226S30.1Very low35.1Very low80 Ų80123.7 Ų123.756%0.55976%0.762SS**  cis-163168.5-17.7-141.50000115.2
227E26.3Very low35.3Very low142 Ų142128.5 Ų128.566%0.66477%0.771SS**  trans26132.2149.1-72.1-179.9103.400125.5
228R36.2Very low35.6Very low179 Ų179128.6 Ų128.668%0.67577%0.765SS**  81.6154.399.4-65175.980.6137.94115.7
229E28.3Very low35.9Very low120 Ų120130.2 Ų130.256%0.56177%0.768SS**  cis-162.9158.34.4-134.6172.5148.800116.1
230L30Very low35Very low145 Ų145133.3 Ų133.376%0.75977%0.772SS**  trans54.8169.4148-109.560.6000121.8
231P43.6Very low34.7Very low118 Ų118135.9 Ų135.977%0.76677%0.772SS**  cis-130.3-169.3-11.739-19.1000116.4
232Q35.7Very low34.7Very low173 Ų173134.5 Ų134.581%0.80876%0.761SS**  trans-97.5174.7-174-56.2177.2-71.100115.4
233P31.3Very low35Very low121 Ų121136 Ų13679%0.78676%0.763SS**  -136.6173.3111.540.1-31.1000115.7
234P41.4Very low34.9Very low112 Ų112137.1 Ų137.173%0.72776%0.756SS**  trans-119.1-149.5-165.444.8-28.9000114.4
235P54.3Low35.1Very low111 Ų111138.4 Ų138.472%0.72176%0.759SS**  -128.8174.5-110.240.3-21.2000116.8
236L29Very low35.2Very low175 Ų175133.8 Ų133.892%0.91676%0.756SS**  trans-144.4163.7155.4-84-171.8000112.9
237L34.5Very low35.9Very low169 Ų169138.8 Ų138.889%0.88578%0.776SS**  trans-88.9165-153-66.1163.4000116.9
238S35.7Very low36.2Very low112 Ų112135.3 Ų135.378%0.78378%0.779SS**  trans-80.8172.3178.9-280000114.8
239P36.7Very low36.8Very low125 Ų125132 Ų13281%0.81278%0.78SS**  trans-104.1162.2138.835.1-30.6000112.5
240Q37.1Very low37.5Very low187 Ų187134.8 Ų134.887%0.87479%0.793SS**  trans-83.3159.8-179.9-56.5155.421.100109.2
241N29.8Very low37.8Very low148 Ų148136.2 Ų136.279%0.79180%0.801SS**  -176.8110.650.7-169.2-10.5000109.3
242A30.5Very low37.4Very low80 Ų80141.2 Ų141.266%0.66180%0.804SS**  trans-157.799.6-179.600000112.9H244A242-H244 PolarHBondContact O-N 3.13Å; A242-H244 PolarHBondContact O-ND1 2.88Å
243P39.1Very low37.6Very low123 Ų123138.1 Ų138.180%0.79980%0.799SS**  trans-75.8107.2174.329.7-32.3000111.7
244H41.8Very low38.4Very low161 Ų161138.3 Ų138.375%0.74580%0.8SS**  trans-63.3169.7146.746.1-74000108.8A242A242-H244 PolarHBondContact O-N 3.13Å; A242-H244 PolarHBondContact O-ND1 2.88Å
245V35.4Very low38.5Very low133 Ų133142 Ų14281%0.80681%0.805SS**  -152.9164.173.5-161.60000111.3
246A33.3Very low38.1Very low95 Ų95145 Ų14579%0.78581%0.814SS**  trans-78.9-179.7177.400000115.1
247L43.7Very low38.5Very low185 Ų185139.8 Ų139.897%0.96980%0.803SS**  trans-77.1153.7-176.5-62.8163.6000114
248G32.5Very low38.9Very low70 Ų70138.9 Ų138.972%0.72280%0.804SS**  trans-146.3147.6167.900000111.4
249P49Very low39.7Very low110 Ų110139 Ų13971%0.71480%0.802SS**  trans-106.4160.6-162.740.5-36.6000116.1
250H44.1Very low39.7Very low178 Ų178138.5 Ų138.582%0.82480%0.802SS**  trans61112.8165.8-52.2-66.1000119.3
251L35.5Very low40.4Very low175 Ų175134.1 Ų134.192%0.91680%0.797SS**  -159.1171.5129.6-107.5171.4000110.3
252R34.4Very low41.2Very low222 Ų222135.4 Ų135.484%0.83880%0.803SS**PPolyproline II helixtrans-70152.9-171.6-82.3-177.1167.689.1-3.9113.9
253P40.5Very low41.7Very low108 Ų108137.6 Ų137.670%0.70181%0.813SS**PPolyproline II helixtrans-76.2136.916532.5-33.3000111.6
254P48.9Very low41.7Very low125 Ų125141.2 Ų141.281%0.81282%0.819SS**PPolyproline II helixtrans-80.9145.9152.933.4-30.3000110.1
255F43.3Very low41.5Very low190 Ų190139.6 Ų139.683%0.83382%0.82SS**PPolyproline II helixtrans-84.3169.7168.9-90.2-99.7000111.3
256L45Very low42.3Very low174 Ų174139.8 Ų139.891%0.91182%0.824SS**  trans80.9134.8165.3-46.6179000117.4
257G38.2Very low42.9Very low66 Ų66138.8 Ų138.868%0.6882%0.823SS**  trans128.456137.500000121
258V41.7Very low43.3Very low150 Ų150141 Ų14191%0.90982%0.82SS**  trans57162.7156.1-85.30000119.5
259P52.1Low44.3Very low113 Ų113141.2 Ų141.273%0.73482%0.822SS**  trans-107.7152-165.639.2-33.5000116
260S38.3Very low44.7Very low116 Ų116144.8 Ų144.881%0.81183%0.827SS**  trans-153.4123.1144.8-75.30000107
261A50.3Low45.4Very low95 Ų95139.8 Ų139.879%0.78581%0.806SS**  68.372.158.800000112.8
262L48.2Very low47.3Very low174 Ų174135 Ų13591%0.91179%0.786SS**  trans-171.477.7155.9-108.3170.1000111.3
263C39.5Very low48.9Very low127 Ų127128.6 Ų128.686%0.85877%0.772SS**  trans-164.658.4167.5-130.20000112.4T265C263-T265 PolarHBondContact O-N 3.38Å
264Q39.8Very low50.3Low199 Ų199126.4 Ų126.493%0.9376%0.764SS**  trans-91.497.1173.5-68.8-170.325.400111
265T38Very low51.4Low126 Ų126125.3 Ų125.377%0.77375%0.748SS**  trans-89.6128.4156.7360000109C263 G267C263-T265 PolarHBondContact O-N 3.38Å; T265-G267 PolarHBondContact O-N 3.13Å
266P51.1Low53.1Low138 Ų138118.1 Ų118.190%0.89672%0.723SS**THydrogen-bonded Turntrans-70.3129.6-178-19.232.1000112.4
267G46.7Very low54.8Low74 Ų74115.7 Ų115.776%0.76371%0.707SS**THydrogen-bonded Turntrans132.9-28.9157.400000117.4T265T265-G267 PolarHBondContact O-N 3.13Å
268Y52.7Low56.6Low231 Ų231118.5 Ų118.591%0.90670%0.704SS**  trans-124.595.1-178.7-89.6-89.1000112.2F270Y268-F270 PolarHBondContact O-N 3.5Å
269G53.5Low58.5Low74 Ų74116.3 Ų116.376%0.76368%0.683SS**  trans-74114.4164.100000109.9L271G269-L271 PolarHBondContact O-N 3.29Å
270F57.1Low60.2Low185 Ų185113.7 Ų113.781%0.81167%0.671SS**PPolyproline II helixtrans-68.2120.1169.4-166.8-89.6000108.5Y268Y268-F270 PolarHBondContact O-N 3.5Å
271L57.8Low62.7Low73 Ų73116.9 Ų116.938%0.38267%0.665SS.*PPolyproline II helixtrans-60.8133.4177-68176.6000109.4G269 Q275 A276G269-L271 PolarHBondContact O-N 3.29Å; L271-Q275 HydrophobicContact CB-CB 4.47Å; L271-Q275 HydrophobicContact CD2-CG 4.28Å; L271-A276 HydrophobicContact CB-CB 4.15Å
272P75.2Confident64.7Low76 Ų76118.3 Ų118.349%0.49466%0.655SS.*PPolyproline II helixtrans-51142.2170.9-26.834.9000110.6A274 Q275 A276P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 3.17Å; P272-A274 VanDerWaalsContact O-N 3.11Å; P272-Q275 WeakPolarHBondContact O-CA 3.38Å; P272-Q275 WeakPolarHBondContact O-CB 3.45Å; P272-Q275 PolarHBondContact O-N 2.93Å; P272-A276 PolarHBondContact O-N 3.42Å
273P68.7Low66.7Low86 Ų86114.4 Ų114.456%0.55863%0.633SS**Hα-helixtrans-50.1-45-170.2-32.336.6000114.7Q275 A276 E277P273-Q275 VanDerWaalsContact C-N 3.28Å; P273-Q275 PolarHBondContact O-N 3.31Å; P273-A276 WeakPolarHBondContact O-CB 3.25Å; P273-A276 PolarHBondContact O-N 2.96Å; P273-A276 VanDerWaalsContact O-N 3.13Å; P273-E277 WeakPolarHBondContact O-CB 3.33Å; P273-E277 WeakPolarHBondContact O-CG 3.36Å; P273-E277 PolarHBondContact O-N 3.3Å
274A70.9Confident69.2Low63 Ų63111.2 Ų111.252%0.52161%0.605SS.*Hα-helixtrans-60.2-33.2175.700000113.8P272 M278P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 3.17Å; P272-A274 VanDerWaalsContact O-N 3.11Å; A274-M278 WeakPolarHBondContact O-CB 3.42Å; A274-M278 WeakPolarHBondContact O-CE 3.37Å; A274-M278 VanDerWaalsContact O-CG 3.32Å; A274-M278 WeakPolarHBondContact O-CG 3.39Å; A274-M278 PolarHBondContact O-N 3.33Å
275Q71.6Confident71.8Confident102 Ų102107.4 Ų107.448%0.47759%0.59SS.*Hα-helixtrans-78.4-33.7176.1-165.4175.416.600112L271 P272 P273 F279L271-Q275 HydrophobicContact CB-CB 4.47Å; L271-Q275 HydrophobicContact CD2-CG 4.28Å; P272-Q275 WeakPolarHBondContact O-CA 3.38Å; P272-Q275 WeakPolarHBondContact O-CB 3.45Å; P272-Q275 PolarHBondContact O-N 2.93Å; P273-Q275 VanDerWaalsContact C-N 3.28Å; P273-Q275 PolarHBondContact O-N 3.31Å; Q275-F279 WeakPolarHBondContact O-CB 3.48Å; Q275-F279 PolarHBondContact O-N 2.96Å
276A78.4Confident74.4Confident38 Ų38105.3 Ų105.331%0.31457%0.574SS.*Hα-helixtrans-65.8-41.5170.600000111.6L271 P272 P273 F279 A280L271-A276 HydrophobicContact CB-CB 4.15Å; P272-A276 PolarHBondContact O-N 3.42Å; P273-A276 WeakPolarHBondContact O-CB 3.25Å; P273-A276 PolarHBondContact O-N 2.96Å; P273-A276 VanDerWaalsContact O-N 3.13Å; A276-F279 PolarHBondContact O-N 3.01Å; A276-A280 WeakPolarHBondContact O-CB 3.39Å; A276-A280 PolarHBondContact O-N 2.77Å
277E80.3Confident76.4Confident123 Ų123105.2 Ų105.258%0.57556%0.556SS**Hα-helixtrans-63.6-46174.1-75170-156.400111.9P273 F279 A280 W281P273-E277 WeakPolarHBondContact O-CB 3.33Å; P273-E277 WeakPolarHBondContact O-CG 3.36Å; P273-E277 PolarHBondContact O-N 3.3Å; E277-F279 VanDerWaalsContact C-N 3.32Å; E277-F279 PolarHBondContact O-N 2.9Å; E277-A280 PolarHBondContact O-N 2.95Å; E277-W281 WeakPolarHBondContact O-CB 3.46Å; E277-W281 PolarHBondContact O-N 3.31Å
278M76.3Confident78.5Confident125 Ų125106.7 Ų106.762%0.61654%0.541SS*.Hα-helixtrans-60.7-39.8173.9-76.8-173.4-69.500112.2A274 W281 Q282A274-M278 WeakPolarHBondContact O-CB 3.42Å; A274-M278 WeakPolarHBondContact O-CE 3.37Å; A274-M278 VanDerWaalsContact O-CG 3.32Å; A274-M278 WeakPolarHBondContact O-CG 3.39Å; A274-M278 PolarHBondContact O-N 3.33Å; M278-W281 PolarHBondContact O-N 3.21Å; M278-Q282 WeakPolarHBondContact O-CB 3.5Å; M278-Q282 PolarHBondContact O-N 2.91Å
279F82.5Confident80.2Confident105 Ų105101.4 Ų101.446%0.46153%0.525SS..Hα-helixtrans-67.9-39.4175.4-173-100.8000112.3Q275 A276 E277 Q282 Q283Q275-F279 WeakPolarHBondContact O-CB 3.48Å; Q275-F279 PolarHBondContact O-N 2.96Å; A276-F279 PolarHBondContact O-N 3.01Å; E277-F279 VanDerWaalsContact C-N 3.32Å; E277-F279 PolarHBondContact O-N 2.9Å; F279-Q282 WeakPolarHBondContact O-CB 3.35Å; F279-Q282 PolarHBondContact O-N 2.84Å; F279-Q283 HydrophobicContact CD1-CG 4.16Å; F279-Q283 HydrophobicContact CE1-CG 3.83Å; F279-Q283 HydrophobicContact CZ-CG 4.16Å; F279-Q283 VanDerWaalsContact CZ-NE2 3.27Å; F279-Q283 WeakPolarHBondContact O-CG 3.45Å; F279-Q283 PolarHBondContact O-N 2.91Å
280A88.4Confident81.7Confident58 Ų58100.9 Ų100.948%0.47950%0.504SS..Hα-helixtrans-63.5-42.1174.100000111.8A276 E277 Q283 E284A276-A280 WeakPolarHBondContact O-CB 3.39Å; A276-A280 PolarHBondContact O-N 2.77Å; E277-A280 PolarHBondContact O-N 2.95Å; A280-Q283 PolarHBondContact O-N 3.43Å; A280-E284 WeakPolarHBondContact O-CB 3.44Å; A280-E284 PolarHBondContact O-N 3.49Å
281W90.6Very high83.1Confident183 Ų18395.6 Ų95.669%0.69348%0.484SS*.Hα-helixtrans-61.7-40.3171.8-92.7103.3000112.6E277 M278 E284 L285E277-W281 WeakPolarHBondContact O-CB 3.46Å; E277-W281 PolarHBondContact O-N 3.31Å; M278-W281 PolarHBondContact O-N 3.21Å; W281-E284 PolarHBondContact O-N 2.84Å; W281-L285 VanDerWaalsContact O-CB 3.26Å; W281-L285 WeakPolarHBondContact O-CB 3.42Å; W281-L285 PolarHBondContact O-N 3.44Å
282Q90.5Very high83.9Confident125 Ų12594.6 Ų94.658%0.58449%0.486SS*.Hα-helixtrans-64.1-42175.2-176.7-178.8-23.500111.8M278 F279 L286M278-Q282 WeakPolarHBondContact O-CB 3.5Å; M278-Q282 PolarHBondContact O-N 2.91Å; F279-Q282 WeakPolarHBondContact O-CB 3.35Å; F279-Q282 PolarHBondContact O-N 2.84Å; Q282-L286 WeakPolarHBondContact O-CB 3.27Å; Q282-L286 PolarHBondContact O-N 2.62Å
283Q90.9Very high83.9Confident92 Ų9299 Ų9943%0.4349%0.493SS..Hα-helixtrans-65.3-43.3174.7-69.4-63.6-28.500111.9F279 A280 L286 R287F279-Q283 HydrophobicContact CD1-CG 4.16Å; F279-Q283 HydrophobicContact CE1-CG 3.83Å; F279-Q283 HydrophobicContact CZ-CG 4.16Å; F279-Q283 VanDerWaalsContact CZ-NE2 3.27Å; F279-Q283 WeakPolarHBondContact O-CG 3.45Å; F279-Q283 PolarHBondContact O-N 2.91Å; A280-Q283 PolarHBondContact O-N 3.43Å; Q283-L286 PolarHBondContact O-N 2.81Å; Q283-R287 WeakPolarHBondContact O-CB 3.32Å; Q283-R287 PolarHBondContact O-N 3.27Å
284E92.2Very high84.1Confident59 Ų59100.8 Ų100.828%0.27650%0.497SS..Hα-helixtrans-67.8-37.4177.9178.758.9-169.500112.2A280 W281 R287 K288A280-E284 WeakPolarHBondContact O-CB 3.44Å; A280-E284 PolarHBondContact O-N 3.49Å; W281-E284 PolarHBondContact O-N 2.84Å; E284-R287 PolarHBondContact O-N 3.39Å; E284-R287 IonicContact OE1-CZ 2.7Å; E284-R287 IonicContact OE1-NE 3.52Å; E284-R287 IonicContact OE1-NH2 2.75Å; E284-R287 PolarHBondContact OE1-NH2 3.09Å; E284-R287 IonicContact OE2-CZ 2.67Å; E284-R287 IonicContact OE2-NE 3.79Å; E284-R287 PolarHBondContact OE2-NE 2.96Å; E284-R287 IonicContact OE2-NH2 3.51Å; E284-R287 PolarHBondContact OE2-NH2 3.23Å; E284-K288 HydrophobicContact CG-CD 4.48Å; E284-K288 WeakPolarHBondContact O-CB 3.49Å; E284-K288 WeakPolarHBondContact O-CG 3.29Å; E284-K288 PolarHBondContact O-N 2.94Å; E284-K288 WeakPolarHBondContact OE1-CE 3.49Å; E284-K288 IonicContact OE1-NZ 2.9Å
285L94.8Very high84.1Confident120 Ų120102.4 Ų102.463%0.62849%0.494SS*.Hα-helixtrans-64.9-42.4173.6-176.461.8000111.4W281 R287 K288 Q289W281-L285 VanDerWaalsContact O-CB 3.26Å; W281-L285 WeakPolarHBondContact O-CB 3.42Å; W281-L285 PolarHBondContact O-N 3.44Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-K288 PolarHBondContact O-N 3.06Å; L285-Q289 WeakPolarHBondContact O-CB 2.93Å; L285-Q289 PolarHBondContact O-N 2.93Å
286L93.3Very high83.9Confident82 Ų82103.4 Ų103.443%0.42950%0.502SS..Hα-helixtrans-65.5-36.9174.4-176.262.4000111.8Q282 Q283 N290Q282-L286 WeakPolarHBondContact O-CB 3.27Å; Q282-L286 PolarHBondContact O-N 2.62Å; Q283-L286 PolarHBondContact O-N 2.81Å; L286-N290 PolarHBondContact O-N 3.32Å; L286-N290 PolarHBondContact O-ND2 2.92Å
287R91.3Very high83.3Confident136 Ų136105 Ų10551%0.51351%0.509SS..Hα-helixtrans-64.5-46.2174-165.8-174.370.582.83.8111.2Q283 E284 L285 N290 L291Q283-R287 WeakPolarHBondContact O-CB 3.32Å; Q283-R287 PolarHBondContact O-N 3.27Å; E284-R287 PolarHBondContact O-N 3.39Å; E284-R287 IonicContact OE1-CZ 2.7Å; E284-R287 IonicContact OE1-NE 3.52Å; E284-R287 IonicContact OE1-NH2 2.75Å; E284-R287 PolarHBondContact OE1-NH2 3.09Å; E284-R287 IonicContact OE2-CZ 2.67Å; E284-R287 IonicContact OE2-NE 3.79Å; E284-R287 PolarHBondContact OE2-NE 2.96Å; E284-R287 IonicContact OE2-NH2 3.51Å; E284-R287 PolarHBondContact OE2-NH2 3.23Å; L285-R287 VanDerWaalsContact C-N 3.34Å; R287-N290 PolarHBondContact O-N 3.45Å; R287-L291 WeakPolarHBondContact O-CB 3.3Å; R287-L291 PolarHBondContact O-N 2.9Å
288K91.3Very high82.6Confident105 Ų105101.5 Ų101.546%0.45750%0.502SS..Hα-helixtrans-62.2-43175.3-73.8178.1-175.8-179.90112.4E284 L285 N290 L291 A292E284-K288 HydrophobicContact CG-CD 4.48Å; E284-K288 WeakPolarHBondContact O-CB 3.49Å; E284-K288 WeakPolarHBondContact O-CG 3.29Å; E284-K288 PolarHBondContact O-N 2.94Å; E284-K288 WeakPolarHBondContact OE1-CE 3.49Å; E284-K288 IonicContact OE1-NZ 2.9Å; L285-K288 PolarHBondContact O-N 3.06Å; K288-N290 VanDerWaalsContact C-N 3.34Å; K288-N290 PolarHBondContact O-N 3.48Å; K288-L291 PolarHBondContact O-N 3.4Å; K288-A292 PolarHBondContact O-N 3.22Å
289Q89.2Confident82.1Confident120 Ų120100.4 Ų100.456%0.56150%0.498SS*.Hα-helixtrans-61.7-41.9176.1-173.7-173.581.600111.7L285 R293L285-Q289 WeakPolarHBondContact O-CB 2.93Å; L285-Q289 PolarHBondContact O-N 2.93Å; Q289-R293 VanDerWaalsContact O-CG 3.32Å; Q289-R293 WeakPolarHBondContact O-CG 3.39Å; Q289-R293 PolarHBondContact O-N 3.18Å
290N83.8Confident81.5Confident62 Ų62100.9 Ų100.933%0.33251%0.505SS..Hα-helixtrans-72-32.3176.9-76.2-66.5000112.9L286 R287 K288 R293 L294L286-N290 PolarHBondContact O-N 3.32Å; L286-N290 PolarHBondContact O-ND2 2.92Å; R287-N290 PolarHBondContact O-N 3.45Å; K288-N290 VanDerWaalsContact C-N 3.34Å; K288-N290 PolarHBondContact O-N 3.48Å; N290-R293 PolarHBondContact O-N 3.21Å; N290-R293 PolarHBondContact OD1-NH1 3.45Å; N290-L294 WeakPolarHBondContact O-CG 3.4Å; N290-L294 PolarHBondContact O-N 3.42Å
291L86.3Confident80.5Confident75 Ų75103.7 Ų103.739%0.39351%0.511SS..Hα-helixtrans-64.7-49.5173.2-175.763.8000111.5R287 K288 R293 L294 E295R287-L291 WeakPolarHBondContact O-CB 3.3Å; R287-L291 PolarHBondContact O-N 2.9Å; K288-L291 PolarHBondContact O-N 3.4Å; L291-R293 PolarHBondContact O-N 3.04Å; L291-L294 CarbonylContact O-C 3.6Å; L291-L294 WeakPolarHBondContact O-CA 3.42Å; L291-L294 WeakPolarHBondContact O-CB 3.47Å; L291-L294 PolarHBondContact O-N 2.86Å; L291-E295 HydrophobicContact CD1-CG 4.42Å; L291-E295 HydrophobicContact CG-CG 4.32Å; L291-E295 WeakPolarHBondContact CG-OE1 3.37Å; L291-E295 WeakPolarHBondContact O-CG 3.36Å; L291-E295 PolarHBondContact O-N 2.99Å
292A76.4Confident79.7Confident51 Ų51103.5 Ų103.542%0.42151%0.51SS..Hα-helixtrans-60.3-30.7177.400000113K288 L294 L296K288-A292 PolarHBondContact O-N 3.22Å; A292-L294 VanDerWaalsContact C-N 3.25Å; A292-L294 PolarHBondContact O-N 2.79Å; A292-L296 PolarHBondContact O-N 3.18Å
293R73.4Confident78.9Confident168 Ų168103.8 Ų103.863%0.63451%0.512SS*.Hα-helixtrans-71-14.8172.4-75.2179.467.9-127.8-3.5114.3Q289 N290 L291 P297Q289-R293 VanDerWaalsContact O-CG 3.32Å; Q289-R293 WeakPolarHBondContact O-CG 3.39Å; Q289-R293 PolarHBondContact O-N 3.18Å; N290-R293 PolarHBondContact O-N 3.21Å; N290-R293 PolarHBondContact OD1-NH1 3.45Å; L291-R293 PolarHBondContact O-N 3.04Å; R293-P297 VanDerWaalsContact O-CD 3.24Å; R293-P297 WeakPolarHBondContact O-CD 3.3Å; R293-P297 WeakPolarHBondContact O-CG 3.46Å
294L73.9Confident78.2Confident125 Ų125106.5 Ų106.565%0.65452%0.522SS*.Hα-helixtrans-104.3-28.1177.8-66.4170.3000112.5N290 L291 A292 P297 A298N290-L294 WeakPolarHBondContact O-CG 3.4Å; N290-L294 PolarHBondContact O-N 3.42Å; L291-L294 CarbonylContact O-C 3.6Å; L291-L294 WeakPolarHBondContact O-CA 3.42Å; L291-L294 WeakPolarHBondContact O-CB 3.47Å; L291-L294 PolarHBondContact O-N 2.86Å; A292-L294 VanDerWaalsContact C-N 3.25Å; A292-L294 PolarHBondContact O-N 2.79Å; L294-P297 WeakPolarHBondContact O-CD 3.32Å; L294-A298 PolarHBondContact O-N 3.44Å
295E70.8Confident77.2Confident97 Ų97110.2 Ų110.245%0.45354%0.539SS..Hα-helixtrans-67.9-46.6173.7-70.6167.2155.400111.4L291 A298 D299L291-E295 HydrophobicContact CD1-CG 4.42Å; L291-E295 HydrophobicContact CG-CG 4.32Å; L291-E295 WeakPolarHBondContact CG-OE1 3.37Å; L291-E295 WeakPolarHBondContact O-CG 3.36Å; L291-E295 PolarHBondContact O-N 2.99Å; E295-A298 WeakPolarHBondContact O-CA 3.47Å; E295-A298 WeakPolarHBondContact O-CB 3.47Å; E295-A298 PolarHBondContact O-N 3.3Å; E295-D299 PolarHBondContact O-N 3.31Å
296L66.6Low75.8Confident123 Ų123110.6 Ų110.664%0.64454%0.541SS*.Hα-helixtrans-59.2-41.1-176.6-142.7158.1000113.5A292 L300A292-L296 PolarHBondContact O-N 3.18Å; L296-L300 WeakPolarHBondContact O-CB 3.28Å; L296-L300 PolarHBondContact O-N 3.39Å
297P67Low74.4Confident71 Ų71113 Ų11346%0.46155%0.55SS.*Hα-helixtrans-67.1-31.6169-2334.8000114.9R293 L294 L301R293-P297 VanDerWaalsContact O-CD 3.24Å; R293-P297 WeakPolarHBondContact O-CD 3.3Å; R293-P297 WeakPolarHBondContact O-CG 3.46Å; L294-P297 WeakPolarHBondContact O-CD 3.32Å; P297-L301 PolarHBondContact O-N 3.07Å
298A65.1Low72.8Confident50 Ų50110.7 Ų110.741%0.41356%0.555SS.*Hα-helixtrans-73.2-40.8-179.200000111.8L294 E295 L300 L301 R302L294-A298 PolarHBondContact O-N 3.44Å; E295-A298 WeakPolarHBondContact O-CA 3.47Å; E295-A298 WeakPolarHBondContact O-CB 3.47Å; E295-A298 PolarHBondContact O-N 3.3Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L301 WeakPolarHBondContact O-CB 3.38Å; A298-L301 PolarHBondContact O-N 2.75Å; A298-R302 PolarHBondContact O-N 3.25Å
299D66.4Low71.2Confident102 Ų102109.4 Ų109.455%0.54556%0.564SS.*Hα-helixtrans-66.7-36.9172.8-75.2-35.5000111.7E295 L301 R302 Q303E295-D299 PolarHBondContact O-N 3.31Å; D299-L301 VanDerWaalsContact C-N 3.32Å; D299-L301 PolarHBondContact O-N 2.82Å; D299-R302 PolarHBondContact O-N 3.06Å; D299-Q303 WeakPolarHBondContact O-CB 3.25Å; D299-Q303 PolarHBondContact O-N 3.12Å
300L68.8Low69.5Low115 Ų115112.8 Ų112.860%0.60257%0.572SS**Hα-helixtrans-68-32.1176.1-153.6145.2000112L296 A298 K304L296-L300 WeakPolarHBondContact O-CB 3.28Å; L296-L300 PolarHBondContact O-N 3.39Å; A298-L300 VanDerWaalsContact C-N 3.34Å; L300-K304 WeakPolarHBondContact O-CB 3.38Å; L300-K304 PolarHBondContact O-N 3.09Å; L300-K304 VanDerWaalsContact O-N 3.08Å
301L68.6Low67.9Low116 Ų116115.9 Ų115.961%0.60760%0.595SS**Hα-helixtrans-66.8-47.3167.2-86.5163.6000112.1P297 A298 D299 Q303 K304 E305P297-L301 PolarHBondContact O-N 3.07Å; A298-L301 WeakPolarHBondContact O-CB 3.38Å; A298-L301 PolarHBondContact O-N 2.75Å; D299-L301 VanDerWaalsContact C-N 3.32Å; D299-L301 PolarHBondContact O-N 2.82Å; L301-Q303 VanDerWaalsContact C-N 3.31Å; L301-Q303 PolarHBondContact O-N 3.11Å; L301-K304 PolarHBondContact O-N 2.81Å; L301-E305 WeakPolarHBondContact O-CG 3.48Å; L301-E305 PolarHBondContact O-N 3.24Å
302R73.3Confident66Low180 Ų180121.6 Ų121.668%0.67962%0.619SS**Hα-helixtrans-61.2-37.7176.2-78.5-155.567.2162.11.2113.1A298 D299 L306A298-R302 PolarHBondContact O-N 3.25Å; D299-R302 PolarHBondContact O-N 3.06Å; R302-L306 WeakPolarHBondContact O-CB 3.42Å; R302-L306 PolarHBondContact O-N 3.04Å
303Q73.6Confident64.4Low131 Ų131127 Ų12761%0.61264%0.641SS**Hα-helixtrans-69-40.6176.9-174.6172.7-30.400110.8D299 L301 L306 E307D299-Q303 WeakPolarHBondContact O-CB 3.25Å; D299-Q303 PolarHBondContact O-N 3.12Å; L301-Q303 VanDerWaalsContact C-N 3.31Å; L301-Q303 PolarHBondContact O-N 3.11Å; Q303-L306 PolarHBondContact O-N 3.09Å; Q303-E307 WeakPolarHBondContact O-CB 3.14Å; Q303-E307 PolarHBondContact O-N 3.18Å
304K75.6Confident62.8Low148 Ų148127.1 Ų127.164%0.64365%0.653SS**Hα-helixtrans-64.5-39.7174.7-173.1175.7-179.9-178.60112.8L300 L301 E307 S308L300-K304 WeakPolarHBondContact O-CB 3.38Å; L300-K304 PolarHBondContact O-N 3.09Å; L300-K304 VanDerWaalsContact O-N 3.08Å; L301-K304 PolarHBondContact O-N 2.81Å; K304-E307 PolarHBondContact O-N 3.44Å; K304-S308 WeakPolarHBondContact O-CB 3.43Å; K304-S308 PolarHBondContact O-N 3.16Å; K304-S308 PolarHBondContact O-OG 2.91Å
305E72.1Confident60.9Low138 Ų138125.8 Ų125.865%0.64566%0.66SS**Hα-helixtrans-57-51.4169.8-73.4-94.110600110.5L301 E307 S308 A309L301-E305 WeakPolarHBondContact O-CG 3.48Å; L301-E305 PolarHBondContact O-N 3.24Å; E305-E307 VanDerWaalsContact C-N 3.28Å; E305-E307 PolarHBondContact O-N 2.62Å; E305-S308 PolarHBondContact O-N 3.31Å; E305-S308 PolarHBondContact O-OG 2.89Å; E305-A309 WeakPolarHBondContact O-CB 3.36Å; E305-A309 PolarHBondContact O-N 3.49Å
306L65.3Low59.6Low127 Ų127126.7 Ų126.767%0.66567%0.674SS**Hα-helixtrans-62-33.6-180-143.783.6000113.2R302 Q303R302-L306 WeakPolarHBondContact O-CB 3.42Å; R302-L306 PolarHBondContact O-N 3.04Å; Q303-L306 PolarHBondContact O-N 3.09Å
307E63.2Low58.1Low133 Ų133130 Ų13062%0.62169%0.686SS**Hα-helixtrans-74.7-41.1176.7-163.5174.1133.200111.7Q303 K304 E305 A309 R310Q303-E307 WeakPolarHBondContact O-CB 3.14Å; Q303-E307 PolarHBondContact O-N 3.18Å; K304-E307 PolarHBondContact O-N 3.44Å; E305-E307 VanDerWaalsContact C-N 3.28Å; E305-E307 PolarHBondContact O-N 2.62Å; E307-A309 PolarHBondContact O-N 2.8Å; E307-R310 WeakPolarHBondContact O-CB 3.49Å; E307-R310 PolarHBondContact O-N 2.91Å
308S57.8Low56.4Low88 Ų88132.5 Ų132.562%0.61570%0.7SS**Hα-helixtrans-65.5-25.8174.275.30000113.6K304 E305 R310K304-S308 WeakPolarHBondContact O-CB 3.43Å; K304-S308 PolarHBondContact O-N 3.16Å; K304-S308 PolarHBondContact O-OG 2.91Å; E305-S308 PolarHBondContact O-N 3.31Å; E305-S308 PolarHBondContact O-OG 2.89Å; S308-R310 PolarHBondContact O-N 3.24Å
309A58.8Low54.8Low77 Ų77134.4 Ų134.464%0.63672%0.716SS**THydrogen-bonded Turntrans-76.4-1.1176.400000113.8E305 E307 P311E305-A309 WeakPolarHBondContact O-CB 3.36Å; E305-A309 PolarHBondContact O-N 3.49Å; E307-A309 PolarHBondContact O-N 2.8Å; A309-P311 WeakPolarHBondContact O-CD 3.25Å
310R53.8Low53.2Low192 Ų192136.3 Ų136.373%0.72573%0.726SS**SBendtrans-85.4111.9173.8-62.7-179.871.2169.81.6109.8E307 S308 Q312E307-R310 WeakPolarHBondContact O-CB 3.49Å; E307-R310 PolarHBondContact O-N 2.91Å; S308-R310 PolarHBondContact O-N 3.24Å; R310-Q312 PolarHBondContact O-N 2.86Å
311P49.8Very low51.4Low126 Ų126141 Ų14182%0.81874%0.735SS**  trans-64131.3178.525.9-33.8000111A309 L313A309-P311 WeakPolarHBondContact O-CD 3.25Å; P311-L313 PolarHBondContact O-N 3.39Å
312Q45.8Very low50.4Low195 Ų195140.1 Ų140.191%0.91174%0.737SS**  trans-76.4113-179.7-63.6177.612.500110.3R310R310-Q312 PolarHBondContact O-N 2.86Å
313L43.9Very low48.4Very low166 Ų166138.8 Ų138.887%0.86974%0.743SS**  trans-88.5145.4158.2-92.4168.6000109.2P311P311-L313 PolarHBondContact O-N 3.39Å
314L38.9Very low46.3Very low170 Ų170140 Ų14089%0.8975%0.754SS**  trans77.888.7-177.5-56162.9000115.5
315A33.4Very low44.1Very low97 Ų97136.6 Ų136.680%0.80276%0.761SS**  trans-105.4134156.500000109.7
316P44.5Very low42.1Very low116 Ų116134.3 Ų134.375%0.75377%0.765SS**  trans-106.7107.1172.534.7-25.7000112.2
317E33.7Very low40.5Very low192 Ų192137.3 Ų137.390%0.89778%0.776SS**  trans-82.3151.1172.6-81.3-75.785.700112.1
318T32.6Very low39.1Very low123 Ų123138.4 Ų138.476%0.75578%0.781SS**  trans-133.2122.7-165.3-39.50000115.5
319A31.3Very low38Very low91 Ų91140 Ų14075%0.75278%0.782SS**  trans63.9165.2167.800000115.6
320L31.7Very low36.7Very low142 Ų142143.5 Ų143.574%0.74379%0.785SS**  cis-144.1179.417.2-84.9173000108.9
321R32.4Very low36Very low213 Ų213145.4 Ų145.480%0.80479%0.793SS**  cis-148.9176.50.2-110.8-71.478.3133.3-2.8106.2
322P46.4Very low35.4Very low98 Ų98151.7 Ų151.764%0.63680%0.8SS**  trans-105.6166.1-170.940.9-34.9000115.9
323N31.5Very low34.8Very low151 Ų151146.2 Ų146.281%0.80780%0.795SS**  -162.4175.6124.1-139.318.6000114.4
324D30.2Very low34.4Very low156 Ų156143.2 Ų143.283%0.83480%0.795SS**  trans-42.1156.6-177.8-84-83.5000120.9
325G29.5Very low34.1Very low77 Ų77143.4 Ų143.479%0.79480%0.796SS**  trans172.7104.9167.600000114.2
326A29.8Very low34.3Very low90 Ų90146.8 Ų146.874%0.74480%0.799SS**  trans-64.6165.3-166.800000119.2
327E32.4Very low34.1Very low191 Ų191147.5 Ų147.589%0.89380%0.801SS**  trans68.7146.8155.2-76.6172.2167.900118
328E32Very low34Very low155 Ų155144.9 Ų144.972%0.72479%0.793SS**  cis-157.9154.2-1.2164.159.115600111.3
329L36.2Very low34Very low121 Ų121145.6 Ų145.663%0.63479%0.792SS**  trans62.3128.2165.6-125.577.3000123.9
330Q31.6Very low34.1Very low152 Ų152150.6 Ų150.671%0.7180%0.8SS**  106.8128.8126.7-149.259.2-80.700121
331R38.2Very low34.2Very low231 Ų231147.2 Ų147.287%0.87280%0.799SS**  trans65106.8177.2-50.8-155.1-172.6-105.7-1.2118.1
332R37.3Very low34.3Very low259 Ų259142.3 Ų142.398%0.97780%0.804SS**  trans-77.2154.2168.5-59.8171.4175.7163.3-2.9111.5
333G33.2Very low33.7Very low79 Ų79142 Ų14281%0.81481%0.81SS**  trans142.534.8159.500000118.6
334A34.7Very low34.5Very low104 Ų104140 Ų14086%0.8681%0.805SS**  trans-76.3145.8173.900000112.2
335L33Very low34.5Very low174 Ų174139.5 Ų139.591%0.91180%0.801SS**  trans-143.2129166-132.4166.3000108.5
336L38.2Very low34.6Very low167 Ų167143.6 Ų143.687%0.87480%0.804SS**  trans-88.4150.9-171.3-75.3166.9000112.7
337V40.5Very low34.4Very low131 Ų131144.1 Ų144.179%0.79481%0.809SS**  trans-81.3135.9167.6176.50000109.3
338L30.8Very low34.6Very low138 Ų138143 Ų14372%0.72381%0.808SS**  trans178.3137.2131.8-97.6161.8000114.1
339N33.8Very low35.2Very low138 Ų138141 Ų14174%0.73881%0.808SS**  trans29.4120.1150-74.6-26.2000121.5
340H33.2Very low35.7Very low196 Ų196139.9 Ų139.991%0.90781%0.809SS**  trans-131.9143.9140-66.8-54.9000110.4
341G32.8Very low35.7Very low71 Ų71141.5 Ų141.573%0.73282%0.816SS**  trans-115.2159.1168.200000110.7
342A35.7Very low35.3Very low109 Ų109133.7 Ų133.790%0.90181%0.808SS**  trans60.3130.4171.900000118.6
343A32.7Very low35.5Very low92 Ų92127.4 Ų127.476%0.7680%0.8SS**  trans-62.6-177.3175.300000113.5
344P48.6Very low36.3Very low109 Ų109129.9 Ų129.971%0.70880%0.802SS**  cis-148.8-173.216.842.2-19.5000119.1
345L29.8Very low36Very low145 Ų145128.2 Ų128.276%0.75980%0.795SS**  trans77.7118.1158.3-58.6-176.5000122.3
346L32.5Very low36.2Very low164 Ų164125.8 Ų125.886%0.85979%0.793SS**  45.7115.7129.2-58.6175.1000121.9
347A24.7Very low35.7Very low101 Ų101121.3 Ų121.384%0.83579%0.787SS**  trans-156.8142.1136.900000112.3
348L36.8Very low36.2Very low166 Ų166121.1 Ų121.187%0.86979%0.788SS**  trans-82.6155.6157.9-70.4165.3000109
349P44Very low37.4Very low114 Ų114119.6 Ų119.674%0.7479%0.786SS**  -153.4-157.5107.344.4-26.7000111.1
350P46.9Very low37.5Very low98 Ų98119.2 Ų119.264%0.63679%0.789SS**  cis-132-153.1-9.240.9-20.7000114
351Q32.9Very low38.1Very low185 Ų185116 Ų11686%0.86479%0.786SS**  trans76.2130.8177.6-38.2-59.510.600115.8
352G30.2Very low38Very low68 Ų68117.8 Ų117.870%0.70179%0.787SS**  cis179141.7-9.200000111.8
353P41.3Very low37.8Very low126 Ų126123.2 Ų123.282%0.81879%0.785SS**  trans-99.5-172-178.842.5-38.2000112.2
354P49.8Very low37.5Very low131 Ų131124 Ų12485%0.85178%0.776SS**  cis-132.6-178.60.242.5-26.2000115.9
355G28.9Very low36.6Very low69 Ų69123.7 Ų123.771%0.71178%0.777SS**  trans-170.1115.4168.700000116.7
356S36.1Very low36.6Very low124 Ų124121.2 Ų121.287%0.86778%0.777SS**  trans16.3131157.358.60000123.4
357G28.2Very low36.5Very low73 Ų73124.3 Ų124.375%0.75378%0.777SS**  trans-114-156.9140.800000110
358P51Low36.7Very low126 Ų126130.7 Ų130.782%0.81878%0.78SS**  cis-130.3-144.2-4.646-27.8000110.1
359P55.5Low36.5Very low106 Ų106127.1 Ų127.169%0.68877%0.774SS**  cis-128-176.3-27.441.7-25.2000115.1
360T35.6Very low36.8Very low130 Ų130127.2 Ų127.280%0.79878%0.775SS**  trans-6.8161.4157.446.40000122.3
361P46Very low36.1Very low129 Ų129133.9 Ų133.984%0.83879%0.787SS**  cis-147.3-164.538.444.4-22.5000118.2
362S30.1Very low36Very low109 Ų109135.1 Ų135.176%0.76279%0.789SS**  trans-119.7152.5-175.153.70000113.5
363R32Very low35.9Very low223 Ų223135 Ų13584%0.84279%0.789SS**  trans-177.3146.2141.7-112.6-170131.1154.51.8118.5
364D27.6Very low35.3Very low107 Ų107132.9 Ų132.957%0.57279%0.789SS**  trans36.6115.4137.2-85.9-56.6000124.6
365S29.9Very low35.1Very low104 Ų104132.9 Ų132.973%0.72779%0.789SS**  66.7103.8110.9-55.60000123.7
366A29.6Very low35.1Very low93 Ų93132.6 Ų132.677%0.76979%0.787SS**  75.3122.2129.700000123.8
367R30.5Very low35.7Very low228 Ų228132.6 Ų132.686%0.8678%0.784SS**  trans-157.7121.4137.4-149.9150.5-66.3-137.21.5116.7
368R28.3Very low35.6Very low236 Ų236133.7 Ų133.789%0.89179%0.786SS**  trans22.5138.1147.3-54.2-178-174.4-140.7-1.4122.7
369A31.9Very low34.3Very low91 Ų91133.5 Ų133.575%0.75279%0.788SS**  trans-76-176.5152.900000111.6
370P50.8Low32.9Very low115 Ų115132.8 Ų132.875%0.74779%0.79SS**  -141.5-166.658.638.2-15.6000112.3
371R33.1Very low32.6Very low239 Ų239138 Ų13890%0.90280%0.795SS**  cis-133.4-174.56.5-54.4173.7167.5-155.9-8.4107
372K30.2Very low32.5Very low210 Ų210137.4 Ų137.491%0.91379%0.792SS**  cis-160.51516.3179.9-167.9179.9-168.10104.6
373G28.9Very low32.5Very low67 Ų67136.5 Ų136.569%0.69179%0.785SS**  cis157.2141.3-2.100000109.1
374G27.7Very low32.4Very low80 Ų80134.7 Ų134.783%0.82579%0.786SS**  trans-79.8-162.4-179.300000114.4
375P45.8Very low32.6Very low131 Ų131135 Ų13585%0.85180%0.797SS**  cis-124.3-169.510.240.4-24000114.3
376G28.2Very low32.6Very low64 Ų64140 Ų14066%0.6681%0.806SS**  trans-83.2-160.7163.500000112.7
377P48.5Very low32.7Very low123 Ų123142.6 Ų142.680%0.79980%0.802SS**  cis-135.6179.413.143.7-27.6000116.3
378A25.8Very low32.6Very low97 Ų97140.1 Ų140.180%0.80280%0.802SS**  trans66.1151.8146.900000122.7
379S25.3Very low32.6Very low122 Ų122134.1 Ų134.185%0.85379%0.792SS**  trans87.6143.9156.8-148.30000120.9
380A25.9Very low32.5Very low90 Ų90132.7 Ų132.774%0.74479%0.786SS**  trans57.4122.1154.300000122.4
381R29.5Very low31.5Very low240 Ų240132.5 Ų132.591%0.90679%0.794SS**  trans-69.3166.7144.7-77.8-179.3169.5-163.8-3109.9
382P42.8Very low31.3Very low117 Ų117131.4 Ų131.476%0.7679%0.79SS**  cis-124.1-160.518.331.1-5.9000111.7
383S30.4Very low31.3Very low89 Ų89126.8 Ų126.862%0.62278%0.775SS**  cis-151.1166.114-440000114.6
384E29Very low31.5Very low185 Ų185134.5 Ų134.586%0.86478%0.783SS**  trans13.4146.4131.6-62.6165.4124.800120.6
385S31.8Very low31.8Very low115 Ų115134.6 Ų134.680%0.80478%0.776SS**  cis-151.6154.76.558.40000112.3
386K31.1Very low31.1Very low209 Ų209137 Ų13791%0.90978%0.776SS**  -173.2139.5113-170.2154.6-173.8168.80111
387E30.5Very low31.1Very low147 Ų147141.7 Ų141.769%0.68779%0.786SS**  trans-106.3145.4-174.1-173.4-174.6122.100112.3T389E387-T389 PolarHBondContact OE1-OG1 3.49Å
388M28.9Very low30.3Very low175 Ų175138.9 Ų138.986%0.86278%0.779SS**  trans-151121.5137.2-17252.861.500109.7
389T29.6Very low30.5Very low110 Ų110140.3 Ų140.368%0.67578%0.783SS**  trans-76.8147.9-170.2-68.50000112.5E387E387-T389 PolarHBondContact OE1-OG1 3.49Å
390G29.3Very low31.1Very low61 Ų61143.2 Ų143.263%0.62978%0.783SS**  cis166.4-166.1-5.900000114.1
391A29.5Very low31.4Very low111 Ų111146.9 Ų146.992%0.91779%0.791SS**  trans63.1118.2174.900000118.5
392R29Very low31.9Very low217 Ų217143.5 Ų143.582%0.81979%0.785SS**  trans-160136.8179.6179.1-173.9-178.1-139.9-1.6111.3
393L30.8Very low32.9Very low113 Ų113142.1 Ų142.159%0.59278%0.776SS**  trans62.1165.3165.3-92.344.6000116.3
394W32.6Very low33.8Very low229 Ų229143.8 Ų143.887%0.86779%0.785SS**  cis-175.1155.8-37.9-109.327.3000108.3
395A33.9Very low34.1Very low81 Ų81142.9 Ų142.967%0.66978%0.778SS**  trans56.2135143.300000124.5
396Q30.7Very low34.2Very low182 Ų182143.2 Ų143.285%0.8577%0.771SS**  112.2122.9126.7-102.9-172.8158.800122.3
397D29.1Very low34.6Very low162 Ų162137.8 Ų137.887%0.86676%0.759SS**  trans77.2139.4132.9-142.9-114000122.7
398G30.3Very low34.8Very low64 Ų64138.2 Ų138.266%0.6677%0.766SS**  trans131.9118.6154.800000119.6
399S30.1Very low35Very low127 Ų127133.1 Ų133.189%0.88876%0.758SS**  trans82.6152.5149.7-148.90000122
400E38.5Very low35.2Very low183 Ų183137.7 Ų137.786%0.85577%0.772SS**  trans-113.6154.4-176.5-56.7153.1112.800111.5
401D32.9Very low35.6Very low168 Ų168141.5 Ų141.590%0.89878%0.778SS**  trans-176.7-178.3131.2-145.9-88.6000110.5
402E38.3Very low36.7Very low168 Ų168142 Ų14279%0.78577%0.772SS**  trans-114.8-149.6-156.6-139.3-127142.300117.1
403P64.7Low36.9Very low89 Ų89139.6 Ų139.658%0.57877%0.77SS**  trans-108.9-174.2-134.246.3-32.9000114.9
404P49.1Very low37Very low123 Ų123139.7 Ų139.780%0.79978%0.775SS**  -153.1147.696.338.6-20.1000119
405K36.6Very low36.9Very low167 Ų167133.6 Ų133.673%0.72677%0.774SS**  trans19.4138.1137.3-86-179.3149.2-69.10125.1
406D32Very low36.9Very low122 Ų122134.2 Ų134.265%0.65278%0.779SS**  78.9139.3130-60.9-12000124.5
407S39.3Very low37Very low95 Ų95132.7 Ų132.766%0.66478%0.782SS**  trans75.1112.4146.2-76.80000124.3
408D34.7Very low37Very low156 Ų156128.5 Ų128.583%0.83478%0.776SS**  51.6144.8112.6-47-53.4000121.8
409G34.1Very low36.9Very low68 Ų68131.4 Ų131.470%0.70179%0.785SS**  trans150.654152.200000122.3
410E33.7Very low36.9Very low206 Ų206136.9 Ų136.996%0.96379%0.786SS**  trans59.9178.3143.1-58.8-174.2105.100121.8
411D37.6Very low36.2Very low141 Ų141131.8 Ų131.875%0.75478%0.783SS**  trans-114.2161.1-170.5176-90.5000111.2
412P52.2Low36.9Very low121 Ų121130.1 Ų130.179%0.78678%0.781SS**  trans-136.6146.7150.136.4-22.5000117.1
413E33.6Very low36.6Very low167 Ų167128.5 Ų128.578%0.7878%0.783SS**  trans-84.7178.5-175.1-158.2-162.9103.100114.8
414T33Very low35.7Very low114 Ų114130.5 Ų130.570%0.69980%0.796SS**  trans96.992.3156.167.30000122.3
415A31.6Very low34.7Very low101 Ų101128 Ų12884%0.83579%0.793SS**  35.3141.6123.200000124.8
416A32.7Very low34.4Very low94 Ų94129.5 Ų129.578%0.77780%0.802SS**  145.8128.5107.600000119.3
417V32Very low34.3Very low151 Ų151127.6 Ų127.692%0.91580%0.804SS**  trans74.1130.6140.4174.50000123.2
418G29.2Very low34.9Very low73 Ų73129.2 Ų129.275%0.75381%0.812SS**  trans171.7120.3159.900000115.9
419C30.1Very low34.8Very low125 Ų125126.6 Ų126.685%0.84581%0.812SS**  trans-95.4-173.9-172.1-53.30000114.1
420R28.3Very low34.5Very low242 Ų242126.8 Ų126.891%0.91381%0.814SS**  cis-174.6124.826.6-165.4-177.6-159.3-113.46.5116.4
421G23.9Very low34.4Very low76 Ų76121 Ų12178%0.78481%0.81SS**  trans58.4176.1146.700000122.6
422P47.7Very low34.1Very low133 Ų133119.1 Ų119.186%0.86481%0.814SS**  cis-128.9-165.3-2.343.7-26.5000116.2
423T32.8Very low32.9Very low135 Ų135116.9 Ų116.983%0.82881%0.812SS**  trans-105.1-174.4-167.3260000114
424P46.4Very low33Very low131 Ų131112.8 Ų112.885%0.85181%0.808SS**  cis-143.5167.219.843.6-23.5000121.4
425G27Very low32.8Very low71 Ų71116.7 Ų116.773%0.73282%0.818SS**  trans129.3148.3163.300000113.8
426Q29.7Very low32.7Very low197 Ų197115.1 Ų115.192%0.92181%0.811SS**  cis-157171.6-20.3-171.1157.4-28.300109.5
427A30.5Very low33.2Very low83 Ų83121.1 Ų121.169%0.68682%0.82SS**  trans-150.6-177.7-173.300000110.1
428P52.5Low32.9Very low129 Ų129117.5 Ų117.584%0.83881%0.813SS**  cis-128.2-162.6646.6-29.6000112.4
429A31.9Very low33.1Very low100 Ų100122.3 Ų122.383%0.82682%0.821SS**  cis-151.6167.5-2.700000107.2
430G29.3Very low33.6Very low73 Ų73126.1 Ų126.175%0.75382%0.823SS**  cis163141-4.900000112
431G30.4Very low33.9Very low85 Ų85120.7 Ų120.788%0.87682%0.82SS**  trans74.3137.8147.900000119.2
432A31.8Very low34Very low101 Ų101120.4 Ų120.484%0.83582%0.816SS**  cis-132.8171.5-7.200000107.7
433G27.1Very low33.2Very low73 Ų73119.9 Ų119.975%0.75382%0.816SS**  cis91.313133.100000110.1
434A34.5Very low33.2Very low82 Ų82119.9 Ų119.968%0.67882%0.816SS**  cis-161.6164.9-3.300000111.2
435E28.6Very low32.7Very low196 Ų196121.2 Ų121.292%0.91682%0.815SS**  trans60.4172.7152.4-77.4174.893.300118.2
436G29.6Very low33.2Very low67 Ų67122.6 Ų122.669%0.69181%0.811SS**  cis169.8152.3-6.600000109.2
437K43.3Very low33.7Very low220 Ų220121.8 Ų121.896%0.95781%0.812SS**  trans-96.5118.2-174.3-61.2170.5-174-72.40110
438G27.6Very low33.6Very low76 Ų76121.2 Ų121.278%0.78481%0.814SS**  trans-148.2110.1-175.200000115.1
439L32.6Very low32.7Very low173 Ų173125 Ų12591%0.90682%0.818SS**  trans-8.9143.5165.2-57.3169.5000121.1
440F39.4Very low33.5Very low205 Ų205125.5 Ų125.590%0.89981%0.813SS**  trans-68.6160.1168.4-58.1-90.2000113.2
441P34.6Very low33.7Very low129 Ų129132.6 Ų132.684%0.83882%0.818SS**  -147.8158.7112.338.5-24.6000116.5
442G27Very low34.3Very low69 Ų69132.4 Ų132.471%0.71181%0.809SS**  trans104.1114148.100000118.4
443S30.7Very low34.6Very low122 Ų122134.3 Ų134.385%0.85381%0.81SS**  trans36.5128.6147.3-56.60000120.2
444T33.6Very low34.8Very low136 Ų136135.4 Ų135.483%0.83481%0.806SS**  cis-144.8156.939.550.20000115.7
445L34.1Very low35.2Very low159 Ų159136.8 Ų136.883%0.83281%0.808SS**  trans-29.9163.8161.3-61.8176.9000117.9
446P39.5Very low35.8Very low100 Ų100136 Ų13665%0.64980%0.797SS**  cis-142.8-178-27.639.1-20.8000115.4
447L38.2Very low36Very low179 Ų179141.4 Ų141.494%0.93780%0.803SS**  trans62.2121.4156.1-69.9161.8000119.9
448G29.1Very low35.6Very low71 Ų71140.7 Ų140.773%0.73280%0.802SS**  trans150.996.8153.700000117.7
449F33.8Very low36Very low209 Ų209143.6 Ų143.692%0.91781%0.805SS**  trans-148156.8163.2-87.5-69.8000109.4
450P48.3Very low36.1Very low111 Ų111139.2 Ų139.272%0.72180%0.801SS**  cis-120.9173.6-27.839.2-27.2000111.5
451Y34.2Very low35.8Very low221 Ų221134.4 Ų134.487%0.86780%0.799SS**  trans-139.4146.6150.5-145.4-95.5000111.5
452A42.4Very low36.4Very low82 Ų82135.7 Ų135.768%0.67881%0.805SS**PPolyproline II helixtrans-81.2150.7-16600000113.4S454A452-S454 PolarHBondContact O-N 3.41Å
453V38.6Very low36.6Very low141 Ų141136.2 Ų136.286%0.85581%0.81SS**PPolyproline II helixtrans-61.8116.5164.4175.90000108.6
454S31.2Very low37.1Very low96 Ų96133.9 Ų133.967%0.67181%0.806SS**PPolyproline II helixtrans-87.4117.3173-172.60000109.4A452 Y456A452-S454 PolarHBondContact O-N 3.41Å; S454-Y456 VanDerWaalsContact C-N 3.29Å; S454-Y456 PolarHBondContact O-N 2.67Å
455P43.8Very low37.4Very low110 Ų110135.9 Ų135.971%0.71481%0.81SS**  trans-88.451.6-165.636.8-38.5000113.1
456Y40.7Very low37.7Very low179 Ų179133.4 Ų133.470%0.70281%0.806SS**  trans-134131.3-180-82-85.3000113.3S454S454-Y456 VanDerWaalsContact C-N 3.29Å; S454-Y456 PolarHBondContact O-N 2.67Å
457F32.3Very low37.8Very low182 Ų182137.3 Ų137.380%0.79882%0.818SS**  trans7280.8175-49.8-68.8000117.5
458H35.8Very low37.6Very low204 Ų204135.8 Ų135.894%0.94481%0.811SS**  trans-104.6120.6143.9-73.9-58.5000109.3
459T35.8Very low38.4Very low137 Ų137136 Ų13684%0.8481%0.813SS**  trans-129.7118.8173.5-54.70000108.6
460G35.6Very low38.9Very low81 Ų81133.6 Ų133.684%0.83580%0.804SS**  trans112.882.4168.500000116.1
461A33.3Very low38.4Very low104 Ų104136.1 Ų136.186%0.8681%0.806SS**  trans-146.1140.6150.900000108.4
462V47.2Very low38.6Very low157 Ų157129.6 Ų129.695%0.95280%0.798SS**  trans-91.8141.7-179.1-68.60000111.1
463G31.5Very low38.3Very low79 Ų79130 Ų13081%0.81479%0.794SS**  trans158.187.8178.400000111.3
464G39.9Very low38.7Very low74 Ų74126.6 Ų126.676%0.76378%0.781SS**  trans-84.5134.9-176.900000113.2
465L40.2Very low40Very low177 Ų177127.1 Ų127.193%0.92778%0.782SS**  trans-126.4155.9143.9-71.9178.7000107.6M467L465-M467 PolarHBondContact O-N 3.19Å
466S39.5Very low41Very low107 Ų107126.7 Ų126.775%0.74877%0.77SS**PPolyproline II helixtrans-62.5123.8-169.350.50000113.2
467M42.8Very low43Very low182 Ų182122.5 Ų122.590%0.89776%0.76SS**PPolyproline II helixtrans-85123135.9-71.9-81.674.500107.1L465L465-M467 PolarHBondContact O-N 3.19Å
468D34Very low45.7Very low148 Ų148114 Ų11479%0.79172%0.723SS**PPolyproline II helixtrans-67160171.4-171.5-146.2000110.2E470D468-E470 PolarHBondContact O-N 2.92Å
469G46.3Very low48.3Very low75 Ų75107.7 Ų107.777%0.77370%0.699SS**  trans-75.649.8-174.300000114.6E471G469-E471 PolarHBondContact O-N 3.13Å
470E43.1Very low51Low159 Ų159108.5 Ų108.574%0.74369%0.691SS**  trans-73.8108.4169.5-149.9-135.2125.800109.2D468 A472D468-E470 PolarHBondContact O-N 2.92Å; E470-A472 PolarHBondContact O-N 3.02Å
471E37.8Very low53.8Low163 Ų163105.9 Ų105.976%0.76266%0.656SS**  trans-65.596.8174.8-179.8167.69100109.1G469 P473G469-E471 PolarHBondContact O-N 3.13Å; E471-P473 WeakPolarHBondContact O-CA 3.1Å
472A38.9Very low56.8Low84 Ų84104.4 Ų104.469%0.69464%0.636SS**  trans-46.1116.8176.600000109.1E470 A474E470-A472 PolarHBondContact O-N 3.02Å; A472-A474 PolarHBondContact O-N 3.06Å; A472-A474 VanDerWaalsContact O-N 3.15Å
473P36.4Very low59.2Low91 Ų9198.8 Ų98.859%0.59160%0.602SS**  trans-55.4121.9-151.213-29.4000111.2E471E471-P473 WeakPolarHBondContact O-CA 3.1Å
474A47.3Very low62.3Low70 Ų7099.2 Ų99.258%0.57959%0.586SS**  trans-45.3125.3-177.100000109A472 E476A472-A474 PolarHBondContact O-N 3.06Å; A472-A474 VanDerWaalsContact O-N 3.15Å; A474-E476 PolarHBondContact O-N 3.26Å
475P56.6Low65Low107 Ų10799.1 Ų99.170%0.69557%0.568SS**  trans-54105.5-151.320.1-34.1000110.2D477P475-D477 PolarHBondContact O-N 3.08Å; P475-D477 VanDerWaalsContact O-N 3.08Å
476E65.1Low67.7Low100 Ų10090.7 Ų90.747%0.46752%0.524SS..  trans-47.7119.4-167-67.1176.1165.700110.1A474 V478 W481A474-E476 PolarHBondContact O-N 3.26Å; E476-V478 PolarHBondContact O-N 2.84Å; E476-W481 PolarHBondContact OE2-NE1 2.88Å
477D83.5Confident70.4Confident91 Ų9186 Ų8649%0.48749%0.491SS..  trans-56.7104.5-179.7-68.2-63000107.9P475 T479 K480P475-D477 PolarHBondContact O-N 3.08Å; P475-D477 VanDerWaalsContact O-N 3.08Å; D477-T479 PolarHBondContact O-N 2.81Å; D477-K480 HydrophobicContact CB-CD 3.89Å; D477-K480 HydrophobicContact CB-CG 4.01Å; D477-K480 WeakPolarHBondContact O-CB 3.36Å; D477-K480 PolarHBondContact O-N 3.08Å; D477-K480 VanDerWaalsContact OD2-CE 3.32Å; D477-K480 WeakPolarHBondContact OD2-CE 3.28Å; D477-K480 IonicContact OD2-NZ 2.83Å; D477-K480 PolarHBondContact OD2-NZ 3.4Å
478V88.5Confident72.9Confident4 Ų481.5 Ų81.52%0.02448%0.478CS..G310 helixtrans-55.2-29.5-172.4176.10000110.9E476 K480 W481 G510 L513 P514 R542 L543E476-V478 PolarHBondContact O-N 2.84Å; V478-K480 PolarHBondContact O-N 3.2Å; V478-W481 HydrophobicContact CG1-CD2 4.3Å; V478-W481 HydrophobicContact CG1-CE3 3.84Å; V478-W481 HydrophobicContact CG1-CZ3 4.18Å; V478-W481 WeakPolarHBondContact O-CB 3.34Å; V478-W481 PolarHBondContact O-N 3.36Å; V478-W481 VanDerWaalsContact O-N 3.16Å; V478-G510 CarbonylContact C-O 3.56Å; V478-G510 CarbonylContact O-C 3.58Å; V478-G510 WeakPolarHBondContact O-CA 3.24Å; V478-L513 HydrophobicContact CG1-CD2 4.11Å; V478-P514 HydrophobicContact CG1-CG 4.24Å; V478-R542 HydrophobicContact CG2-CB 3.7Å; V478-L543 HydrophobicContact CB-CD2 3.84Å; V478-L543 HydrophobicContact CB-CG 4.48Å; V478-L543 HydrophobicContact CG1-CD2 4.46Å; V478-L543 HydrophobicContact CG2-CD2 4.07Å; V478-L543 HydrophobicContact CG2-CG 4.31Å
479T89.8Confident75.8Confident72 Ų7275.6 Ų75.644%0.44245%0.445SS..G310 helixtrans-61.6-15.9174.356.70000115.2D477 G510 E511D477-T479 PolarHBondContact O-N 2.81Å; T479-G510 WeakPolarHBondContact CA-O 3.38Å; T479-E511 WeakPolarHBondContact O-CG 3.4Å
480K92.7Very high78.2Confident154 Ų15472 Ų7267%0.6741%0.408SS*.G310 helixtrans-92.3-9.4177.3-63176.7-176.4157.60113.4D477 V478D477-K480 HydrophobicContact CB-CD 3.89Å; D477-K480 HydrophobicContact CB-CG 4.01Å; D477-K480 WeakPolarHBondContact O-CB 3.36Å; D477-K480 PolarHBondContact O-N 3.08Å; D477-K480 VanDerWaalsContact OD2-CE 3.32Å; D477-K480 WeakPolarHBondContact OD2-CE 3.28Å; D477-K480 IonicContact OD2-NZ 2.83Å; D477-K480 PolarHBondContact OD2-NZ 3.4Å; V478-K480 PolarHBondContact O-N 3.2Å
481W95.4Very high80.7Confident25 Ų2566.3 Ų66.310%0.09539%0.392CS..  trans-67.8136.1-177.9-73.2-7.8000111.9E476 V478 D485 V486 F489 G510 L513E476-W481 PolarHBondContact OE2-NE1 2.88Å; V478-W481 HydrophobicContact CG1-CD2 4.3Å; V478-W481 HydrophobicContact CG1-CE3 3.84Å; V478-W481 HydrophobicContact CG1-CZ3 4.18Å; V478-W481 WeakPolarHBondContact O-CB 3.34Å; V478-W481 PolarHBondContact O-N 3.36Å; V478-W481 VanDerWaalsContact O-N 3.16Å; W481-D485 HydrophobicContact CB-CB 3.91Å; W481-D485 HydrophobicContact CG-CB 4.08Å; W481-V486 HydrophobicContact CB-CG2 4.18Å; W481-V486 HydrophobicContact CE3-CG2 4.25Å; W481-F489 HydrophobicContact CH2-CB 3.95Å; W481-F489 HydrophobicContact CH2-CD1 4.16Å; W481-F489 AromaticContact CH2-CD2 3.73Å; W481-F489 HydrophobicContact CH2-CD2 3.73Å; W481-F489 HydrophobicContact CH2-CE2 4.24Å; W481-F489 AromaticContact CH2-CG 3.67Å; W481-F489 HydrophobicContact CH2-CG 3.67Å; W481-F489 HydrophobicContact CZ3-CB 3.84Å; W481-F489 AromaticContact CZ3-CD1 3.63Å; W481-F489 HydrophobicContact CZ3-CD1 3.63Å; W481-F489 HydrophobicContact CZ3-CD2 4.08Å; W481-F489 HydrophobicContact CZ3-CE1 4.17Å; W481-F489 AromaticContact CZ3-CG 3.57Å; W481-F489 HydrophobicContact CZ3-CG 3.57Å; W481-G510 WeakPolarHBondContact O-CA 3.49Å; W481-G510 PolarHBondContact O-N 3.02Å; W481-L513 HydrophobicContact CE3-CD2 3.89Å; W481-L513 HydrophobicContact CZ3-CD2 3.87Å
482T96.3Very high83.4Confident74 Ų7461.9 Ų61.945%0.45439%0.39SS..  trans-79.5169.8170.270.30000111.2D484 D485 V486T482-D484 PolarHBondContact O-N 2.91Å; T482-D484 PolarHBondContact OG1-N 3.18Å; T482-D485 VanDerWaalsContact CB-OD2 3.3Å; T482-D485 WeakPolarHBondContact CB-OD2 3.32Å; T482-D485 WeakPolarHBondContact CG2-OD2 3.16Å; T482-D485 PolarHBondContact N-OD2 3.2Å; T482-D485 PolarHBondContact O-N 3.34Å; T482-D485 VanDerWaalsContact O-N 3.09Å; T482-D485 VanDerWaalsContact OG1-CG 3.3Å; T482-D485 PolarHBondContact OG1-N 2.8Å; T482-D485 PolarHBondContact OG1-OD2 2.94Å; T482-V486 WeakPolarHBondContact O-CG2 3.3Å; T482-V486 PolarHBondContact O-N 3.15Å
483V96.9Very high86Confident38 Ų3858.9 Ų58.923%0.2336%0.362CS..Hα-helixtrans-56.4-34.3173.4-175.50000111.9C487 I508 D509V483-C487 WeakPolarHBondContact O-CB 3.41Å; V483-C487 PolarHBondContact O-N 2.97Å; V483-C487 PolarHBondContact O-SG 3.09Å; V483-I508 WeakPolarHBondContact CA-O 3.36Å; V483-D509 HydrophobicContact CG2-CB 4.13Å
484D97.4Very high88.8Confident89 Ų8958.7 Ų58.748%0.47636%0.363SS..Hα-helixtrans-69.5-39176.1-85.4-84.7000112.7T482 C487 S488 R504T482-D484 PolarHBondContact O-N 2.91Å; T482-D484 PolarHBondContact OG1-N 3.18Å; D484-C487 PolarHBondContact O-N 3Å; D484-S488 WeakPolarHBondContact O-CB 3.45Å; D484-S488 PolarHBondContact O-N 2.95Å; D484-R504 IonicContact OD1-CZ 2.68Å; D484-R504 IonicContact OD1-NH1 2.96Å; D484-R504 PolarHBondContact OD1-NH1 2.83Å; D484-R504 IonicContact OD1-NH2 3.94Å; D484-R504 PolarHBondContact OD1-NH2 3.32Å; D484-R504 IonicContact OD2-CZ 2.73Å; D484-R504 IonicContact OD2-NH1 3.17Å; D484-R504 PolarHBondContact OD2-NH1 2.74Å
485D96.1Very high90.8Very high71 Ų7157.9 Ų57.938%0.3836%0.362SS..Hα-helixtrans-67.3-41.4175.4-55.1-54.3000111.3W481 T482 C487 S488 F489W481-D485 HydrophobicContact CB-CB 3.91Å; W481-D485 HydrophobicContact CG-CB 4.08Å; T482-D485 VanDerWaalsContact CB-OD2 3.3Å; T482-D485 WeakPolarHBondContact CB-OD2 3.32Å; T482-D485 WeakPolarHBondContact CG2-OD2 3.16Å; T482-D485 PolarHBondContact N-OD2 3.2Å; T482-D485 PolarHBondContact O-N 3.34Å; T482-D485 VanDerWaalsContact O-N 3.09Å; T482-D485 VanDerWaalsContact OG1-CG 3.3Å; T482-D485 PolarHBondContact OG1-N 2.8Å; T482-D485 PolarHBondContact OG1-OD2 2.94Å; D485-C487 VanDerWaalsContact C-N 3.34Å; D485-C487 PolarHBondContact O-N 2.86Å; D485-S488 WeakPolarHBondContact O-CB 3.38Å; D485-S488 PolarHBondContact O-N 2.63Å; D485-F489 WeakPolarHBondContact O-CB 3.33Å; D485-F489 PolarHBondContact O-N 3.19Å
486V96.3Very high92.6Very high0 Ų052.8 Ų52.80%033%0.328CS..Hα-helixtrans-61.3-42.7172.7174.20000111.1W481 T482 F489 V490 F503 I508 L513W481-V486 HydrophobicContact CB-CG2 4.18Å; W481-V486 HydrophobicContact CE3-CG2 4.25Å; T482-V486 WeakPolarHBondContact O-CG2 3.3Å; T482-V486 PolarHBondContact O-N 3.15Å; V486-F489 PolarHBondContact O-N 3.36Å; V486-V490 HydrophobicContact CG1-CG2 4.46Å; V486-V490 WeakPolarHBondContact O-CB 3.46Å; V486-V490 WeakPolarHBondContact O-CG2 3.44Å; V486-V490 PolarHBondContact O-N 3.45Å; V486-F503 HydrophobicContact CG1-CD1 3.74Å; V486-F503 HydrophobicContact CG1-CE1 4.45Å; V486-I508 WeakPolarHBondContact CB-O 3.38Å; V486-I508 HydrophobicContact CG1-CB 4.42Å; V486-I508 HydrophobicContact CG1-CG2 4.05Å; V486-L513 HydrophobicContact CG1-CD1 4.27Å; V486-L513 HydrophobicContact CG1-CD2 4.12Å; V486-L513 HydrophobicContact CG2-CB 4.46Å; V486-L513 HydrophobicContact CG2-CD2 3.99Å
487C96.4Very high93.9Very high8 Ų849.7 Ų49.75%0.05432%0.323CS..Hα-helixtrans-64.8-40.5175.3-71.60000112.3V483 D484 D485 G491 T500V483-C487 WeakPolarHBondContact O-CB 3.41Å; V483-C487 PolarHBondContact O-N 2.97Å; V483-C487 PolarHBondContact O-SG 3.09Å; D484-C487 PolarHBondContact O-N 3Å; D485-C487 VanDerWaalsContact C-N 3.34Å; D485-C487 PolarHBondContact O-N 2.86Å; C487-G491 PolarHBondContact O-N 2.86Å; C487-T500 WeakPolarHBondContact O-CG2 3.3Å; C487-T500 PolarHBondContact SG-O 3.27Å
488S96.2Very high94.3Very high89 Ų8950.8 Ų50.862%0.62233%0.325SS*.Hα-helixtrans-62-47.6174.8-173.50000111.2D484 D485 G491 G492D484-S488 WeakPolarHBondContact O-CB 3.45Å; D484-S488 PolarHBondContact O-N 2.95Å; D485-S488 WeakPolarHBondContact O-CB 3.38Å; D485-S488 PolarHBondContact O-N 2.63Å; S488-G491 PolarHBondContact O-N 3.34Å; S488-G492 PolarHBondContact O-N 2.8Å
489F95.2Very high94.6Very high23 Ų2351.4 Ų51.410%0.10133%0.327CS..Hα-helixtrans-58.8-50.2175.6164.9-110.9000112.6W481 D485 V486 G491 G492 L493 L513 Q538 V539W481-F489 HydrophobicContact CH2-CB 3.95Å; W481-F489 HydrophobicContact CH2-CD1 4.16Å; W481-F489 AromaticContact CH2-CD2 3.73Å; W481-F489 HydrophobicContact CH2-CD2 3.73Å; W481-F489 HydrophobicContact CH2-CE2 4.24Å; W481-F489 AromaticContact CH2-CG 3.67Å; W481-F489 HydrophobicContact CH2-CG 3.67Å; W481-F489 HydrophobicContact CZ3-CB 3.84Å; W481-F489 AromaticContact CZ3-CD1 3.63Å; W481-F489 HydrophobicContact CZ3-CD1 3.63Å; W481-F489 HydrophobicContact CZ3-CD2 4.08Å; W481-F489 HydrophobicContact CZ3-CE1 4.17Å; W481-F489 AromaticContact CZ3-CG 3.57Å; W481-F489 HydrophobicContact CZ3-CG 3.57Å; D485-F489 WeakPolarHBondContact O-CB 3.33Å; D485-F489 PolarHBondContact O-N 3.19Å; V486-F489 PolarHBondContact O-N 3.36Å; F489-G491 VanDerWaalsContact C-N 3.29Å; F489-G491 PolarHBondContact O-N 3.12Å; F489-G492 PolarHBondContact O-N 3.28Å; F489-L493 HydrophobicContact CE1-CD1 4.32Å; F489-L493 HydrophobicContact CE2-CD1 4.35Å; F489-L493 HydrophobicContact CZ-CD1 4.04Å; F489-L493 PolarHBondContact O-N 3.17Å; F489-L513 HydrophobicContact CD1-CD2 4.21Å; F489-L513 HydrophobicContact CE1-CD2 4.22Å; F489-Q538 HydrophobicContact CE2-CB 4.11Å; F489-Q538 HydrophobicContact CZ-CB 3.72Å; F489-V539 HydrophobicContact CE1-CG2 3.73Å; F489-V539 HydrophobicContact CZ-CG2 4.07Å
490V95.7Very high94.9Very high0 Ų049.7 Ų49.70%032%0.317CS..Hα-helixtrans-65.1-34177.5172.90000111.3V486 L493 C496 T500 F503 I535V486-V490 HydrophobicContact CG1-CG2 4.46Å; V486-V490 WeakPolarHBondContact O-CB 3.46Å; V486-V490 WeakPolarHBondContact O-CG2 3.44Å; V486-V490 PolarHBondContact O-N 3.45Å; V490-L493 PolarHBondContact O-N 2.97Å; V490-C496 HydrophobicContact CG1-CB 4.19Å; V490-C496 WeakPolarHBondContact O-CB 3.39Å; V490-T500 HydrophobicContact CB-CG2 4.19Å; V490-T500 HydrophobicContact CG1-CG2 3.98Å; V490-F503 HydrophobicContact CG1-CD2 4.31Å; V490-F503 HydrophobicContact CG1-CE2 4.41Å; V490-F503 HydrophobicContact CG2-CD1 4.08Å; V490-F503 HydrophobicContact CG2-CD2 4.48Å; V490-F503 HydrophobicContact CG2-CE1 4.07Å; V490-F503 HydrophobicContact CG2-CE2 4.47Å; V490-F503 HydrophobicContact CG2-CG 4.29Å; V490-F503 HydrophobicContact CG2-CZ 4.27Å; V490-I535 HydrophobicContact CG1-CD1 4.08Å; V490-I535 HydrophobicContact CG2-CD1 4.35Å
491G95.8Very high95Very high39 Ų3950.6 Ų50.640%0.40232%0.316SS..Hα-helixtrans-65.1-39174.800000113.4C487 S488 F489 L493 T500C487-G491 PolarHBondContact O-N 2.86Å; S488-G491 PolarHBondContact O-N 3.34Å; F489-G491 VanDerWaalsContact C-N 3.29Å; F489-G491 PolarHBondContact O-N 3.12Å; G491-L493 PolarHBondContact O-N 3.01Å; G491-T500 VanDerWaalsContact CA-CG2 3.41Å; G491-T500 VanDerWaalsContact N-CG2 3.3Å
492G94.4Very high95Very high70 Ų7050.9 Ų50.972%0.72232%0.321SS*.THydrogen-bonded Turntrans-70.1-10.4174.500000114.8S488 F489S488-G492 PolarHBondContact O-N 2.8Å; F489-G492 PolarHBondContact O-N 3.28Å
493L94.9Very high95Very high22 Ų2247.4 Ų47.412%0.11530%0.299CS..SBendtrans-86.4125.4176.9-65.5-179.5000111.5F489 V490 G491 G495 C496 K534 I535 Q538F489-L493 HydrophobicContact CE1-CD1 4.32Å; F489-L493 HydrophobicContact CE2-CD1 4.35Å; F489-L493 HydrophobicContact CZ-CD1 4.04Å; F489-L493 PolarHBondContact O-N 3.17Å; V490-L493 PolarHBondContact O-N 2.97Å; G491-L493 PolarHBondContact O-N 3.01Å; L493-G495 PolarHBondContact O-N 3.03Å; L493-C496 HydrophobicContact CB-CB 3.79Å; L493-C496 WeakPolarHBondContact O-CB 3.37Å; L493-C496 PolarHBondContact O-N 2.86Å; L493-K534 HydrophobicContact CB-CD 4.47Å; L493-I535 HydrophobicContact CD1-CG1 3.91Å; L493-Q538 HydrophobicContact CD1-CB 4.36Å; L493-Q538 HydrophobicContact CD1-CG 4.33Å; L493-Q538 HydrophobicContact CD2-CB 4.41Å; L493-Q538 HydrophobicContact CD2-CG 3.84Å
494S93.4Very high95Very high86 Ų8651.5 Ų51.560%0.60131%0.31SS*.THydrogen-bonded Turntrans-54.7123.8-177.8560000112.3C496 K534S494-C496 VanDerWaalsContact C-N 3.26Å; S494-C496 PolarHBondContact O-N 3.49Å; S494-K534 PolarHBondContact O-NZ 2.04Å; S494-K534 PolarHBondContact OG-NZ 3.39Å
495G90.2Very high95Very high54 Ų5452.9 Ų52.956%0.55731%0.314SS*.THydrogen-bonded Turntrans6426.2-17700000114.6L493L493-G495 PolarHBondContact O-N 3.03Å
496C93.6Very high94.9Very high0 Ų054.4 Ų54.40%032%0.319CS..THydrogen-bonded Turntrans-119-11.4171.5-58.20000113.4V490 L493 S494 E498 Y499V490-C496 HydrophobicContact CG1-CB 4.19Å; V490-C496 WeakPolarHBondContact O-CB 3.39Å; L493-C496 HydrophobicContact CB-CB 3.79Å; L493-C496 WeakPolarHBondContact O-CB 3.37Å; L493-C496 PolarHBondContact O-N 2.86Å; S494-C496 VanDerWaalsContact C-N 3.26Å; S494-C496 PolarHBondContact O-N 3.49Å; C496-E498 PolarHBondContact O-N 3.22Å; C496-E498 VanDerWaalsContact O-N 3.14Å; C496-Y499 WeakPolarHBondContact O-CB 3.47Å; C496-Y499 PolarHBondContact O-N 3.22Å
497G92.3Very high94.8Very high34 Ų3456.1 Ų56.135%0.35134%0.337SS..G310 helixtrans-52.9-34.7-179.900000114.6Y499 T500G497-Y499 PolarHBondContact O-N 3.17Å; G497-Y499 VanDerWaalsContact O-N 3.16Å; G497-T500 WeakPolarHBondContact O-CB 2.94Å; G497-T500 WeakPolarHBondContact O-CG2 3.31Å; G497-T500 PolarHBondContact O-N 3.47Å; G497-T500 PolarHBondContact O-OG1 3.34Å
498E93.5Very high94.8Very high114 Ų11456.2 Ų56.253%0.53334%0.337SS..G310 helixtrans-58-25.1175.367.8-158.7-119.100113.8C496 K528C496-E498 PolarHBondContact O-N 3.22Å; C496-E498 VanDerWaalsContact O-N 3.14Å; E498-K528 IonicContact OE1-NZ 3.93Å; E498-K528 PolarHBondContact OE1-NZ 3.41Å
499Y94.3Very high94.8Very high17 Ų1754.5 Ų54.57%0.06732%0.32CS..G310 helixtrans-94.3-9.4-178.5-57-69.6000114.2C496 G497 R501 V502 F503 L527 K528 P531C496-Y499 WeakPolarHBondContact O-CB 3.47Å; C496-Y499 PolarHBondContact O-N 3.22Å; G497-Y499 PolarHBondContact O-N 3.17Å; G497-Y499 VanDerWaalsContact O-N 3.16Å; Y499-R501 PolarHBondContact O-N 3.38Å; Y499-V502 WeakPolarHBondContact O-CA 3.28Å; Y499-V502 WeakPolarHBondContact O-CB 3.41Å; Y499-V502 PolarHBondContact O-N 3.2Å; Y499-F503 WeakPolarHBondContact O-CD2 3Å; Y499-F503 PolarHBondContact O-N 3.26Å; Y499-F503 VanDerWaalsContact O-N 3.13Å; Y499-L527 HydrophobicContact CD1-CD1 3.54Å; Y499-L527 HydrophobicContact CD1-CG 3.56Å; Y499-L527 HydrophobicContact CD2-CD2 4.37Å; Y499-L527 HydrophobicContact CD2-CG 4.03Å; Y499-L527 HydrophobicContact CE1-CB 4.33Å; Y499-L527 HydrophobicContact CE1-CD1 4.1Å; Y499-L527 HydrophobicContact CE1-CG 3.8Å; Y499-L527 HydrophobicContact CE2-CG 4.26Å; Y499-L527 HydrophobicContact CG-CD1 3.87Å; Y499-L527 HydrophobicContact CG-CD2 4.23Å; Y499-L527 HydrophobicContact CG-CG 3.67Å; Y499-K528 VanDerWaalsContact OH-CD 3.25Å; Y499-K528 WeakPolarHBondContact OH-CD 3.44Å; Y499-K528 WeakPolarHBondContact OH-CE 3.34Å; Y499-K528 WeakPolarHBondContact OH-CG 3.42Å; Y499-K528 PolarHBondContact OH-N 3.02Å; Y499-K528 PolarHBondContact OH-NZ 3.33Å; Y499-P531 HydrophobicContact CD2-CB 3.99Å; Y499-P531 HydrophobicContact CD2-CG 4.44Å; Y499-P531 HydrophobicContact CE2-CB 3.55Å; Y499-P531 HydrophobicContact CE2-CG 3.58Å
500T95.8Very high94.8Very high37 Ų3753.4 Ų53.423%0.22732%0.316CS..Hα-helixtrans-54.4-39.7-179.753.90000112.7C487 V490 G491 G497 V502 F503 R504C487-T500 WeakPolarHBondContact O-CG2 3.3Å; C487-T500 PolarHBondContact SG-O 3.27Å; V490-T500 HydrophobicContact CB-CG2 4.19Å; V490-T500 HydrophobicContact CG1-CG2 3.98Å; G491-T500 VanDerWaalsContact CA-CG2 3.41Å; G491-T500 VanDerWaalsContact N-CG2 3.3Å; G497-T500 WeakPolarHBondContact O-CB 2.94Å; G497-T500 WeakPolarHBondContact O-CG2 3.31Å; G497-T500 PolarHBondContact O-N 3.47Å; G497-T500 PolarHBondContact O-OG1 3.34Å; T500-V502 VanDerWaalsContact C-N 3.31Å; T500-V502 PolarHBondContact O-N 3.24Å; T500-F503 PolarHBondContact O-N 3.08Å; T500-R504 PolarHBondContact O-N 3.39Å
501R95.8Very high94.6Very high172 Ų17259.6 Ų59.665%0.64935%0.345SS*.Hα-helixtrans-58.4-41.3173.5178.4177168.5-178.2-5.1112.3Y499 R504 E505Y499-R501 PolarHBondContact O-N 3.38Å; R501-R504 WeakPolarHBondContact O-CB 3.32Å; R501-R504 PolarHBondContact O-N 2.9Å; R501-E505 HydrophobicContact CG-CG 4.31Å; R501-E505 IonicContact CZ-OE1 3.18Å; R501-E505 IonicContact NE-OE1 2.74Å; R501-E505 PolarHBondContact NE-OE1 2.9Å; R501-E505 IonicContact NE-OE2 3.67Å; R501-E505 IonicContact NH2-OE1 2.73Å; R501-E505 PolarHBondContact NH2-OE1 2.91Å; R501-E505 WeakPolarHBondContact O-CB 3.03Å; R501-E505 WeakPolarHBondContact O-CG 3.32Å; R501-E505 PolarHBondContact O-N 3.26Å
502V95.6Very high94.5Very high32 Ų3260.1 Ų60.119%0.19434%0.34CS..Hα-helixtrans-68.3-40.7-179.8-172.10000110.9Y499 T500 R504 E505 Q506 M525Y499-V502 WeakPolarHBondContact O-CA 3.28Å; Y499-V502 WeakPolarHBondContact O-CB 3.41Å; Y499-V502 PolarHBondContact O-N 3.2Å; T500-V502 VanDerWaalsContact C-N 3.31Å; T500-V502 PolarHBondContact O-N 3.24Å; V502-R504 VanDerWaalsContact C-N 3.29Å; V502-R504 PolarHBondContact O-N 2.85Å; V502-E505 PolarHBondContact O-N 3.42Å; V502-Q506 HydrophobicContact CG1-CG 4.31Å; V502-Q506 WeakPolarHBondContact O-CB 3.18Å; V502-Q506 VanDerWaalsContact O-CG 3.32Å; V502-Q506 WeakPolarHBondContact O-CG 3.44Å; V502-Q506 PolarHBondContact O-N 3.42Å; V502-M525 HydrophobicContact CG1-CB 3.81Å; V502-M525 HydrophobicContact CG1-CG 3.84Å
503F96.3Very high94.5Very high0 Ų057 Ų570%031%0.307CS..Hα-helixtrans-61.8-37.9173.7-82-107.7000111.7V486 V490 Y499 T500 G507 I508 L513 L516 L521 M525 L527 I535V486-F503 HydrophobicContact CG1-CD1 3.74Å; V486-F503 HydrophobicContact CG1-CE1 4.45Å; V490-F503 HydrophobicContact CG1-CD2 4.31Å; V490-F503 HydrophobicContact CG1-CE2 4.41Å; V490-F503 HydrophobicContact CG2-CD1 4.08Å; V490-F503 HydrophobicContact CG2-CD2 4.48Å; V490-F503 HydrophobicContact CG2-CE1 4.07Å; V490-F503 HydrophobicContact CG2-CE2 4.47Å; V490-F503 HydrophobicContact CG2-CG 4.29Å; V490-F503 HydrophobicContact CG2-CZ 4.27Å; Y499-F503 WeakPolarHBondContact O-CD2 3Å; Y499-F503 PolarHBondContact O-N 3.26Å; Y499-F503 VanDerWaalsContact O-N 3.13Å; T500-F503 PolarHBondContact O-N 3.08Å; F503-G507 PolarHBondContact O-N 3.34Å; F503-G507 VanDerWaalsContact O-N 3.17Å; F503-I508 HydrophobicContact CB-CB 4.43Å; F503-I508 HydrophobicContact CB-CG1 4.44Å; F503-I508 HydrophobicContact CD1-CB 3.8Å; F503-I508 HydrophobicContact CD1-CG1 3.9Å; F503-I508 HydrophobicContact CD1-CG2 3.81Å; F503-I508 HydrophobicContact CE1-CG2 4.18Å; F503-I508 HydrophobicContact CG-CB 4.49Å; F503-I508 HydrophobicContact CG-CG1 4.36Å; F503-I508 PolarHBondContact O-N 3.45Å; F503-L513 HydrophobicContact CE1-CD1 3.93Å; F503-L516 HydrophobicContact CE1-CD1 3.86Å; F503-L516 HydrophobicContact CZ-CD1 4.42Å; F503-L521 HydrophobicContact CE1-CD2 4.5Å; F503-L521 HydrophobicContact CE2-CD2 4.34Å; F503-L521 HydrophobicContact CZ-CD2 3.66Å; F503-M525 HydrophobicContact CD2-SD 4.37Å; F503-M525 HydrophobicContact CE2-SD 4.05Å; F503-M525 HydrophobicContact CZ-SD 4.14Å; F503-L527 HydrophobicContact CE2-CD1 4.33Å; F503-L527 HydrophobicContact CE2-CD2 4.19Å; F503-I535 HydrophobicContact CE2-CD1 3.95Å; F503-I535 HydrophobicContact CZ-CD1 3.84Å; F503-I535 HydrophobicContact CZ-CG2 4.26Å
504R96.5Very high94.4Very high124 Ų12458 Ų5847%0.46831%0.314SS..Hα-helixtrans-67.3-44.3173.1-168.9175.6-67.1-87.45113D484 T500 R501 V502 Q506 G507D484-R504 IonicContact OD1-CZ 2.68Å; D484-R504 IonicContact OD1-NH1 2.96Å; D484-R504 PolarHBondContact OD1-NH1 2.83Å; D484-R504 IonicContact OD1-NH2 3.94Å; D484-R504 PolarHBondContact OD1-NH2 3.32Å; D484-R504 IonicContact OD2-CZ 2.73Å; D484-R504 IonicContact OD2-NH1 3.17Å; D484-R504 PolarHBondContact OD2-NH1 2.74Å; T500-R504 PolarHBondContact O-N 3.39Å; R501-R504 WeakPolarHBondContact O-CB 3.32Å; R501-R504 PolarHBondContact O-N 2.9Å; V502-R504 VanDerWaalsContact C-N 3.29Å; V502-R504 PolarHBondContact O-N 2.85Å; R504-Q506 VanDerWaalsContact C-N 3.34Å; R504-Q506 PolarHBondContact O-N 3.35Å; R504-G507 PolarHBondContact O-N 2.99Å; R504-G507 VanDerWaalsContact O-N 3.13Å
505E95.9Very high94.4Very high118 Ų11860.1 Ų60.155%0.55132%0.319SS*.Hα-helixtrans-68-31.2-179.7-76.1174.7159.700112.8R501 V502 G507R501-E505 HydrophobicContact CG-CG 4.31Å; R501-E505 IonicContact CZ-OE1 3.18Å; R501-E505 IonicContact NE-OE1 2.74Å; R501-E505 PolarHBondContact NE-OE1 2.9Å; R501-E505 IonicContact NE-OE2 3.67Å; R501-E505 IonicContact NH2-OE1 2.73Å; R501-E505 PolarHBondContact NH2-OE1 2.91Å; R501-E505 WeakPolarHBondContact O-CB 3.03Å; R501-E505 WeakPolarHBondContact O-CG 3.32Å; R501-E505 PolarHBondContact O-N 3.26Å; V502-E505 PolarHBondContact O-N 3.42Å; E505-G507 VanDerWaalsContact C-N 3.34Å
506Q95.1Very high94.5Very high103 Ų10358.4 Ų58.448%0.48130%0.297SS..THydrogen-bonded Turntrans-84.7-5.2172.3-62.8-66.4-20.100113.3V502 R504 I508 M525V502-Q506 HydrophobicContact CG1-CG 4.31Å; V502-Q506 WeakPolarHBondContact O-CB 3.18Å; V502-Q506 VanDerWaalsContact O-CG 3.32Å; V502-Q506 WeakPolarHBondContact O-CG 3.44Å; V502-Q506 PolarHBondContact O-N 3.42Å; R504-Q506 VanDerWaalsContact C-N 3.34Å; R504-Q506 PolarHBondContact O-N 3.35Å; Q506-I508 VanDerWaalsContact C-N 3.35Å; Q506-I508 HydrophobicContact CB-CD1 3.79Å; Q506-I508 HydrophobicContact CB-CG1 3.93Å; Q506-I508 PolarHBondContact O-N 2.89Å; Q506-M525 HydrophobicContact CG-CG 4.07Å
507G94.8Very high94.6Very high37 Ų3762 Ų6238%0.38132%0.318SS..THydrogen-bonded Turntrans6531.9-179.700000114.5F503 R504 E505 D509F503-G507 PolarHBondContact O-N 3.34Å; F503-G507 VanDerWaalsContact O-N 3.17Å; R504-G507 PolarHBondContact O-N 2.99Å; R504-G507 VanDerWaalsContact O-N 3.13Å; E505-G507 VanDerWaalsContact C-N 3.34Å; G507-D509 PolarHBondContact O-N 3.39Å
508I96.4Very high94.6Very high10 Ų1063.8 Ų63.85%0.05132%0.318CS..  trans-68.8115.2-176.3-53.3-53.5000110.5V483 V486 F503 Q506 L513 L516V483-I508 WeakPolarHBondContact CA-O 3.36Å; V486-I508 WeakPolarHBondContact CB-O 3.38Å; V486-I508 HydrophobicContact CG1-CB 4.42Å; V486-I508 HydrophobicContact CG1-CG2 4.05Å; F503-I508 HydrophobicContact CB-CB 4.43Å; F503-I508 HydrophobicContact CB-CG1 4.44Å; F503-I508 HydrophobicContact CD1-CB 3.8Å; F503-I508 HydrophobicContact CD1-CG1 3.9Å; F503-I508 HydrophobicContact CD1-CG2 3.81Å; F503-I508 HydrophobicContact CE1-CG2 4.18Å; F503-I508 HydrophobicContact CG-CB 4.49Å; F503-I508 HydrophobicContact CG-CG1 4.36Å; F503-I508 PolarHBondContact O-N 3.45Å; Q506-I508 VanDerWaalsContact C-N 3.35Å; Q506-I508 HydrophobicContact CB-CD1 3.79Å; Q506-I508 HydrophobicContact CB-CG1 3.93Å; Q506-I508 PolarHBondContact O-N 2.89Å; I508-L513 HydrophobicContact CG2-CB 4.04Å; I508-L513 HydrophobicContact CG2-CD1 4.4Å; I508-L516 HydrophobicContact CD1-CD2 4.06Å; I508-L516 HydrophobicContact CG2-CD1 3.87Å
509D96.2Very high94.6Very high52 Ų5265 Ų6528%0.27832%0.323SS..  trans-103.8-176.617665.611.6000112.3V483 G507 E511 T512 L513V483-D509 HydrophobicContact CG2-CB 4.13Å; G507-D509 PolarHBondContact O-N 3.39Å; D509-E511 VanDerWaalsContact C-N 3.32Å; D509-E511 PolarHBondContact O-N 3.03Å; D509-E511 PolarHBondContact OD1-N 3.2Å; D509-T512 PolarHBondContact N-OG1 2.88Å; D509-T512 PolarHBondContact O-N 3.44Å; D509-T512 PolarHBondContact O-OG1 3.46Å; D509-T512 VanDerWaalsContact OD1-CB 3.32Å; D509-T512 WeakPolarHBondContact OD1-CB 3.24Å; D509-T512 WeakPolarHBondContact OD1-CG2 3.42Å; D509-T512 PolarHBondContact OD1-N 2.84Å; D509-T512 PolarHBondContact OD1-OG1 3.33Å; D509-L513 WeakPolarHBondContact O-CB 3.32Å; D509-L513 PolarHBondContact O-N 2.9Å
510G94Very high94.7Very high0 Ų066.6 Ų66.60%033%0.331CS..THydrogen-bonded Turntrans-65.7-26.717900000115.7V478 T479 W481 P514V478-G510 CarbonylContact C-O 3.56Å; V478-G510 CarbonylContact O-C 3.58Å; V478-G510 WeakPolarHBondContact O-CA 3.24Å; T479-G510 WeakPolarHBondContact CA-O 3.38Å; W481-G510 WeakPolarHBondContact O-CA 3.49Å; W481-G510 PolarHBondContact O-N 3.02Å; G510-P514 WeakPolarHBondContact O-CD 3.49Å; G510-P514 WeakPolarHBondContact O-CG 3.48Å
511E92.8Very high94.7Very high131 Ų13164.9 Ų64.961%0.61232%0.321SS*.THydrogen-bonded Turntrans-81.2-35.2178.4-61.3-161.9157.900111.6T479 D509T479-E511 WeakPolarHBondContact O-CG 3.4Å; D509-E511 VanDerWaalsContact C-N 3.32Å; D509-E511 PolarHBondContact O-N 3.03Å; D509-E511 PolarHBondContact OD1-N 3.2Å
512T93.6Very high94.7Very high50 Ų5059.6 Ų59.631%0.30731%0.305SS..THydrogen-bonded Turntrans-83.9-34.1178.654.70000113.5D509 L515 L516D509-T512 PolarHBondContact N-OG1 2.88Å; D509-T512 PolarHBondContact O-N 3.44Å; D509-T512 PolarHBondContact O-OG1 3.46Å; D509-T512 VanDerWaalsContact OD1-CB 3.32Å; D509-T512 WeakPolarHBondContact OD1-CB 3.24Å; D509-T512 WeakPolarHBondContact OD1-CG2 3.42Å; D509-T512 PolarHBondContact OD1-N 2.84Å; D509-T512 PolarHBondContact OD1-OG1 3.33Å; T512-L515 WeakPolarHBondContact O-CA 3.35Å; T512-L515 WeakPolarHBondContact O-CB 3.4Å; T512-L515 PolarHBondContact O-N 2.95Å; T512-L516 WeakPolarHBondContact O-CD2 3.44Å; T512-L516 WeakPolarHBondContact O-CG 3.41Å; T512-L516 PolarHBondContact O-N 3.28Å
513L94.5Very high94.5Very high5 Ų563 Ų633%0.02633%0.326CS..G310 helixtrans-51.9-40.8179.4176.667.5000114.4V478 W481 V486 F489 F503 I508 D509 L515 L516 I535 V539V478-L513 HydrophobicContact CG1-CD2 4.11Å; W481-L513 HydrophobicContact CE3-CD2 3.89Å; W481-L513 HydrophobicContact CZ3-CD2 3.87Å; V486-L513 HydrophobicContact CG1-CD1 4.27Å; V486-L513 HydrophobicContact CG1-CD2 4.12Å; V486-L513 HydrophobicContact CG2-CB 4.46Å; V486-L513 HydrophobicContact CG2-CD2 3.99Å; F489-L513 HydrophobicContact CD1-CD2 4.21Å; F489-L513 HydrophobicContact CE1-CD2 4.22Å; F503-L513 HydrophobicContact CE1-CD1 3.93Å; I508-L513 HydrophobicContact CG2-CB 4.04Å; I508-L513 HydrophobicContact CG2-CD1 4.4Å; D509-L513 WeakPolarHBondContact O-CB 3.32Å; D509-L513 PolarHBondContact O-N 2.9Å; L513-L515 VanDerWaalsContact C-N 3.28Å; L513-L515 PolarHBondContact O-N 3.4Å; L513-L516 HydrophobicContact CD1-CD1 3.92Å; L513-I535 HydrophobicContact CD1-CG2 4.31Å; L513-V539 HydrophobicContact CD1-CG2 3.81Å; L513-V539 HydrophobicContact CD2-CG2 3.83Å; L513-V539 HydrophobicContact CG-CG1 4.32Å; L513-V539 HydrophobicContact CG-CG2 3.69Å
514P92.3Very high94.3Very high41 Ų4167.7 Ų67.727%0.26635%0.351SS..G310 helixtrans-66.2-21.3172.2-25.936.8000115.6V478 G510 L543V478-P514 HydrophobicContact CG1-CG 4.24Å; G510-P514 WeakPolarHBondContact O-CD 3.49Å; G510-P514 WeakPolarHBondContact O-CG 3.48Å; P514-L543 HydrophobicContact CB-CD1 3.72Å; P514-L543 HydrophobicContact CG-CD1 3.98Å; P514-L543 HydrophobicContact CG-CD2 4.14Å
515L92.6Very high94.2Very high132 Ų13262.3 Ų62.369%0.69133%0.332SS*.G310 helixtrans-92.7-12.6-173.7-55178.1000112.8T512 L513 T517T512-L515 WeakPolarHBondContact O-CA 3.35Å; T512-L515 WeakPolarHBondContact O-CB 3.4Å; T512-L515 PolarHBondContact O-N 2.95Å; L513-L515 VanDerWaalsContact C-N 3.28Å; L513-L515 PolarHBondContact O-N 3.4Å; L515-T517 PolarHBondContact O-N 3.33Å
516L93.6Very high94Very high18 Ų1859.3 Ų59.39%0.09433%0.332CS..  trans-65.9115.5-176.7-47.1177.2000111.3F503 I508 T512 L513 L521 M525F503-L516 HydrophobicContact CE1-CD1 3.86Å; F503-L516 HydrophobicContact CZ-CD1 4.42Å; I508-L516 HydrophobicContact CD1-CD2 4.06Å; I508-L516 HydrophobicContact CG2-CD1 3.87Å; T512-L516 WeakPolarHBondContact O-CD2 3.44Å; T512-L516 WeakPolarHBondContact O-CG 3.41Å; T512-L516 PolarHBondContact O-N 3.28Å; L513-L516 HydrophobicContact CD1-CD1 3.92Å; L516-L521 HydrophobicContact CB-CD2 4.47Å; L516-L521 HydrophobicContact CB-CG 4.31Å; L516-L521 HydrophobicContact CD1-CD2 4.14Å; L516-M525 HydrophobicContact CD1-CE 4.12Å; L516-M525 HydrophobicContact CD2-CE 4.2Å
517T94.1Very high94.1Very high75 Ų7554.7 Ų54.746%0.4631%0.311SS..  trans-74.6164.4174.566.40000111.3L515 E519 H520 L521L515-T517 PolarHBondContact O-N 3.33Å; T517-E519 VanDerWaalsContact C-N 3.32Å; T517-H520 PolarHBondContact O-N 2.94Å; T517-H520 VanDerWaalsContact OG1-CB 3.3Å; T517-H520 WeakPolarHBondContact OG1-CB 3.38Å; T517-H520 PolarHBondContact OG1-N 3.46Å; T517-L521 PolarHBondContact O-N 2.91Å
518E93.9Very high94.1Very high71 Ų7158.9 Ų58.933%0.33232%0.318SS..Hα-helixtrans-59.2-46.2172.6-156.2169.7125.800111.3H520 L521 L522 L529 R536E518-H520 VanDerWaalsContact C-N 3.31Å; E518-H520 PolarHBondContact O-N 3.42Å; E518-L521 PolarHBondContact O-N 2.91Å; E518-L522 HydrophobicContact CG-CD1 4.2Å; E518-L522 WeakPolarHBondContact O-CB 3.4Å; E518-L522 VanDerWaalsContact O-CG 3.25Å; E518-L522 WeakPolarHBondContact O-CG 3.36Å; E518-L522 PolarHBondContact O-N 3.04Å; E518-L529 HydrophobicContact CG-CD1 4.37Å; E518-L529 WeakPolarHBondContact OE1-CD1 3.47Å; E518-R536 IonicContact OE2-CZ 3.37Å; E518-R536 IonicContact OE2-NH1 2.68Å; E518-R536 PolarHBondContact OE2-NH1 3.36Å
519E93.8Very high94.1Very high139 Ų13962.6 Ų62.665%0.6534%0.338SS*.Hα-helixtrans-58.7-39.9176.4-178.2175.1-160.700112.3T517 L522 T523T517-E519 VanDerWaalsContact C-N 3.32Å; E519-L522 PolarHBondContact O-N 3.23Å; E519-T523 WeakPolarHBondContact O-CA 3.38Å; E519-T523 WeakPolarHBondContact O-CB 3.26Å; E519-T523 PolarHBondContact O-N 3.4Å; E519-T523 PolarHBondContact O-OG1 3.35Å; E519-T523 VanDerWaalsContact O-OG1 3.09Å
520H95.3Very high94Very high52 Ų5262.3 Ų62.324%0.24135%0.347CS..Iπ-helixtrans-67.8-41.5179.5-17458.2000112.3T517 E518 N524 M525T517-H520 PolarHBondContact O-N 2.94Å; T517-H520 VanDerWaalsContact OG1-CB 3.3Å; T517-H520 WeakPolarHBondContact OG1-CB 3.38Å; T517-H520 PolarHBondContact OG1-N 3.46Å; E518-H520 VanDerWaalsContact C-N 3.31Å; E518-H520 PolarHBondContact O-N 3.42Å; H520-N524 WeakPolarHBondContact ND1-CB 3.47Å; H520-N524 VanDerWaalsContact ND1-CG 3.29Å; H520-N524 PolarHBondContact ND1-OD1 2.85Å; H520-N524 WeakPolarHBondContact O-CB 3.33Å; H520-N524 PolarHBondContact O-N 2.78Å; H520-M525 WeakPolarHBondContact CD2-CE 3.49Å; H520-M525 WeakPolarHBondContact NE2-CE 3.43Å; H520-M525 PolarHBondContact O-N 3.04Å
521L95.9Very high94.1Very high1 Ų163.2 Ų63.21%0.00535%0.353CS..Iπ-helixtrans-64.3-43.3174.7-68.6160.9000111.8F503 L516 T517 E518 M525 G526 L527 A532 R536F503-L521 HydrophobicContact CE1-CD2 4.5Å; F503-L521 HydrophobicContact CE2-CD2 4.34Å; F503-L521 HydrophobicContact CZ-CD2 3.66Å; L516-L521 HydrophobicContact CB-CD2 4.47Å; L516-L521 HydrophobicContact CB-CG 4.31Å; L516-L521 HydrophobicContact CD1-CD2 4.14Å; T517-L521 PolarHBondContact O-N 2.91Å; E518-L521 PolarHBondContact O-N 2.91Å; L521-M525 HydrophobicContact CD2-CE 3.74Å; L521-M525 HydrophobicContact CD2-SD 3.96Å; L521-M525 HydrophobicContact CG-CE 4.29Å; L521-M525 CarbonylContact O-C 3.38Å; L521-M525 WeakPolarHBondContact O-CB 3.44Å; L521-G526 PolarHBondContact O-N 3.21Å; L521-L527 HydrophobicContact CD2-CD2 4.13Å; L521-L527 WeakPolarHBondContact O-CB 3.46Å; L521-L527 PolarHBondContact O-N 2.92Å; L521-A532 HydrophobicContact CB-CB 3.81Å; L521-A532 HydrophobicContact CD1-CB 4.17Å; L521-R536 HydrophobicContact CD1-CG 3.56Å
522L95.6Very high94.2Very high61 Ų6157 Ų5732%0.31932%0.324SS..Iπ-helixtrans-69.8-50179.3-67.7172.9000112.4E518 E519 G526 L527 L529 A532E518-L522 HydrophobicContact CG-CD1 4.2Å; E518-L522 WeakPolarHBondContact O-CB 3.4Å; E518-L522 VanDerWaalsContact O-CG 3.25Å; E518-L522 WeakPolarHBondContact O-CG 3.36Å; E518-L522 PolarHBondContact O-N 3.04Å; E519-L522 PolarHBondContact O-N 3.23Å; L522-G526 VanDerWaalsContact O-CA 3.29Å; L522-G526 WeakPolarHBondContact O-CA 3.49Å; L522-G526 PolarHBondContact O-N 2.91Å; L522-L527 VanDerWaalsContact CD2-O 3.3Å; L522-L527 WeakPolarHBondContact CD2-O 3.41Å; L522-L529 HydrophobicContact CD1-CD1 4.23Å; L522-L529 HydrophobicContact CD2-CB 4.17Å; L522-L529 HydrophobicContact CD2-CD1 4.25Å; L522-A532 HydrophobicContact CD2-CB 4.38Å
523T92.6Very high94.3Very high103 Ų10357 Ų5763%0.63232%0.322SS*.Iπ-helixtrans-92.9-41.2-165.7-540000113.1E519E519-T523 WeakPolarHBondContact O-CA 3.38Å; E519-T523 WeakPolarHBondContact O-CB 3.26Å; E519-T523 PolarHBondContact O-N 3.4Å; E519-T523 PolarHBondContact O-OG1 3.35Å; E519-T523 VanDerWaalsContact O-OG1 3.09Å
524N91.8Very high94.4Very high99 Ų9960.4 Ų60.453%0.52934%0.336SS..Iπ-helixtrans-90.3-36.1-178.5-61.8100.6000112.7H520H520-N524 WeakPolarHBondContact ND1-CB 3.47Å; H520-N524 VanDerWaalsContact ND1-CG 3.29Å; H520-N524 PolarHBondContact ND1-OD1 2.85Å; H520-N524 WeakPolarHBondContact O-CB 3.33Å; H520-N524 PolarHBondContact O-N 2.78Å
525M93.3Very high94.5Very high11 Ų1158.5 Ų58.55%0.05432%0.324CS..SBendtrans-98.7-7.4178.9-71.3176.7-107.900114.1V502 F503 Q506 L516 H520 L521 L527V502-M525 HydrophobicContact CG1-CB 3.81Å; V502-M525 HydrophobicContact CG1-CG 3.84Å; F503-M525 HydrophobicContact CD2-SD 4.37Å; F503-M525 HydrophobicContact CE2-SD 4.05Å; F503-M525 HydrophobicContact CZ-SD 4.14Å; Q506-M525 HydrophobicContact CG-CG 4.07Å; L516-M525 HydrophobicContact CD1-CE 4.12Å; L516-M525 HydrophobicContact CD2-CE 4.2Å; H520-M525 WeakPolarHBondContact CD2-CE 3.49Å; H520-M525 WeakPolarHBondContact NE2-CE 3.43Å; H520-M525 PolarHBondContact O-N 3.04Å; L521-M525 HydrophobicContact CD2-CE 3.74Å; L521-M525 HydrophobicContact CD2-SD 3.96Å; L521-M525 HydrophobicContact CG-CE 4.29Å; L521-M525 CarbonylContact O-C 3.38Å; L521-M525 WeakPolarHBondContact O-CB 3.44Å; M525-L527 VanDerWaalsContact C-N 3.27Å; M525-L527 HydrophobicContact CB-CD1 3.55Å; M525-L527 PolarHBondContact O-N 3.45Å
526G93.3Very high94.5Very high54 Ų5455.4 Ų55.456%0.55730%0.303SS*.  trans67.322176.700000114.7L521 L522L521-G526 PolarHBondContact O-N 3.21Å; L522-G526 VanDerWaalsContact O-CA 3.29Å; L522-G526 WeakPolarHBondContact O-CA 3.49Å; L522-G526 PolarHBondContact O-N 2.91Å
527L95.4Very high94.4Very high7 Ų756.1 Ų56.14%0.03731%0.312CS..  trans-68.7147.3177.4-87.669.2000111Y499 F503 L521 L522 M525 P531 A532 I535Y499-L527 HydrophobicContact CD1-CD1 3.54Å; Y499-L527 HydrophobicContact CD1-CG 3.56Å; Y499-L527 HydrophobicContact CD2-CD2 4.37Å; Y499-L527 HydrophobicContact CD2-CG 4.03Å; Y499-L527 HydrophobicContact CE1-CB 4.33Å; Y499-L527 HydrophobicContact CE1-CD1 4.1Å; Y499-L527 HydrophobicContact CE1-CG 3.8Å; Y499-L527 HydrophobicContact CE2-CG 4.26Å; Y499-L527 HydrophobicContact CG-CD1 3.87Å; Y499-L527 HydrophobicContact CG-CD2 4.23Å; Y499-L527 HydrophobicContact CG-CG 3.67Å; F503-L527 HydrophobicContact CE2-CD1 4.33Å; F503-L527 HydrophobicContact CE2-CD2 4.19Å; L521-L527 HydrophobicContact CD2-CD2 4.13Å; L521-L527 WeakPolarHBondContact O-CB 3.46Å; L521-L527 PolarHBondContact O-N 2.92Å; L522-L527 VanDerWaalsContact CD2-O 3.3Å; L522-L527 WeakPolarHBondContact CD2-O 3.41Å; M525-L527 VanDerWaalsContact C-N 3.27Å; M525-L527 HydrophobicContact CB-CD1 3.55Å; M525-L527 PolarHBondContact O-N 3.45Å; L527-P531 HydrophobicContact CD2-CB 4.27Å; L527-A532 HydrophobicContact CB-CB 4.15Å; L527-A532 HydrophobicContact CD2-CB 4.37Å; L527-I535 HydrophobicContact CD2-CD1 3.63Å
528K96.2Very high94.4Very high125 Ų12555.2 Ų55.254%0.54330%0.303SS..  trans-70.5150.9164.2-60.5156.7-162.8147.50108.7E498 Y499 G530 P531 A532E498-K528 IonicContact OE1-NZ 3.93Å; E498-K528 PolarHBondContact OE1-NZ 3.41Å; Y499-K528 VanDerWaalsContact OH-CD 3.25Å; Y499-K528 WeakPolarHBondContact OH-CD 3.44Å; Y499-K528 WeakPolarHBondContact OH-CE 3.34Å; Y499-K528 WeakPolarHBondContact OH-CG 3.42Å; Y499-K528 PolarHBondContact OH-N 3.02Å; Y499-K528 PolarHBondContact OH-NZ 3.33Å; K528-G530 VanDerWaalsContact C-N 3.3Å; K528-G530 PolarHBondContact O-N 3.35Å; K528-P531 HydrophobicContact CB-CG 4.19Å; K528-P531 VanDerWaalsContact O-CD 3.27Å; K528-P531 WeakPolarHBondContact O-CD 3.48Å; K528-A532 PolarHBondContact O-N 2.76Å
529L94.8Very high94.3Very high87 Ų8752.3 Ų52.346%0.45529%0.289SS..Hα-helixtrans-55.7-39.4-177.2-176.763.4000113.7E518 L522 A532 L533E518-L529 HydrophobicContact CG-CD1 4.37Å; E518-L529 WeakPolarHBondContact OE1-CD1 3.47Å; L522-L529 HydrophobicContact CD1-CD1 4.23Å; L522-L529 HydrophobicContact CD2-CB 4.17Å; L522-L529 HydrophobicContact CD2-CD1 4.25Å; L529-A532 PolarHBondContact O-N 2.99Å; L529-L533 HydrophobicContact CD1-CD1 3.87Å; L529-L533 HydrophobicContact CD1-CD2 4.47Å; L529-L533 HydrophobicContact CD1-CG 3.91Å; L529-L533 HydrophobicContact CD2-CD1 4.43Å; L529-L533 HydrophobicContact CG-CD1 3.77Å; L529-L533 HydrophobicContact CG-CG 4.23Å; L529-L533 WeakPolarHBondContact O-CB 3.49Å; L529-L533 VanDerWaalsContact O-CG 3.28Å; L529-L533 WeakPolarHBondContact O-CG 3.38Å; L529-L533 PolarHBondContact O-N 3.36Å
530G95.3Very high94.1Very high46 Ų4646.5 Ų46.547%0.47427%0.266SS..Hα-helixtrans-58.6-58.8177.400000113.5K528 A532 L533 K534K528-G530 VanDerWaalsContact C-N 3.3Å; K528-G530 PolarHBondContact O-N 3.35Å; G530-A532 PolarHBondContact O-N 3.22Å; G530-L533 PolarHBondContact O-N 2.9Å; G530-K534 WeakPolarHBondContact O-CB 3.34Å; G530-K534 PolarHBondContact O-N 2.88Å
531P95.6Very high93.8Very high20 Ų2052.7 Ų52.713%0.1329%0.287CS..Hα-helixtrans-51.8-47.2170.2-30.735.1000114.3Y499 L527 K528 L533 K534 I535Y499-P531 HydrophobicContact CD2-CB 3.99Å; Y499-P531 HydrophobicContact CD2-CG 4.44Å; Y499-P531 HydrophobicContact CE2-CB 3.55Å; Y499-P531 HydrophobicContact CE2-CG 3.58Å; L527-P531 HydrophobicContact CD2-CB 4.27Å; K528-P531 HydrophobicContact CB-CG 4.19Å; K528-P531 VanDerWaalsContact O-CD 3.27Å; K528-P531 WeakPolarHBondContact O-CD 3.48Å; P531-L533 PolarHBondContact O-N 3.31Å; P531-K534 PolarHBondContact O-N 3.39Å; P531-I535 WeakPolarHBondContact O-CG1 3.39Å; P531-I535 PolarHBondContact O-N 3.23Å
532A96.1Very high93.4Very high0 Ų057.8 Ų57.80%031%0.306CS..Hα-helixtrans-60.2-46.1-179.900000112.4L521 L522 L527 K528 L529 G530 R536L521-A532 HydrophobicContact CB-CB 3.81Å; L521-A532 HydrophobicContact CD1-CB 4.17Å; L522-A532 HydrophobicContact CD2-CB 4.38Å; L527-A532 HydrophobicContact CB-CB 4.15Å; L527-A532 HydrophobicContact CD2-CB 4.37Å; K528-A532 PolarHBondContact O-N 2.76Å; L529-A532 PolarHBondContact O-N 2.99Å; G530-A532 PolarHBondContact O-N 3.22Å; A532-R536 WeakPolarHBondContact O-CG 3.36Å; A532-R536 PolarHBondContact O-N 3.32Å; A532-R536 VanDerWaalsContact O-N 3.09Å
533L95.3Very high92.9Very high51 Ų5157.2 Ų57.227%0.26730%0.303SS..Hα-helixtrans-66.2-38.4174.8-69.3173.7000112.1L529 G530 P531 R536 A537 Y548L529-L533 HydrophobicContact CD1-CD1 3.87Å; L529-L533 HydrophobicContact CD1-CD2 4.47Å; L529-L533 HydrophobicContact CD1-CG 3.91Å; L529-L533 HydrophobicContact CD2-CD1 4.43Å; L529-L533 HydrophobicContact CG-CD1 3.77Å; L529-L533 HydrophobicContact CG-CG 4.23Å; L529-L533 WeakPolarHBondContact O-CB 3.49Å; L529-L533 VanDerWaalsContact O-CG 3.28Å; L529-L533 WeakPolarHBondContact O-CG 3.38Å; L529-L533 PolarHBondContact O-N 3.36Å; G530-L533 PolarHBondContact O-N 2.9Å; P531-L533 PolarHBondContact O-N 3.31Å; L533-R536 PolarHBondContact O-N 3.2Å; L533-A537 VanDerWaalsContact O-CB 3.24Å; L533-A537 WeakPolarHBondContact O-CB 3.47Å; L533-A537 PolarHBondContact O-N 3.01Å; L533-Y548 VanDerWaalsContact CD2-OH 3.3Å; L533-Y548 WeakPolarHBondContact CD2-OH 3.44Å
534K95.1Very high91.9Very high75 Ų7555.2 Ų55.233%0.32630%0.302SS..Hα-helixtrans-63-45.4178-173.2180-65.1-176.30111.6L493 S494 G530 P531 Q538L493-K534 HydrophobicContact CB-CD 4.47Å; S494-K534 PolarHBondContact O-NZ 2.04Å; S494-K534 PolarHBondContact OG-NZ 3.39Å; G530-K534 WeakPolarHBondContact O-CB 3.34Å; G530-K534 PolarHBondContact O-N 2.88Å; P531-K534 PolarHBondContact O-N 3.39Å; K534-Q538 VanDerWaalsContact O-CG 3.28Å; K534-Q538 WeakPolarHBondContact O-CG 3.38Å; K534-Q538 PolarHBondContact O-N 3.27Å; K534-Q538 VanDerWaalsContact O-N 3.12Å
535I94.8Very high90.3Very high2 Ų258.3 Ų58.31%0.0131%0.307CS..Hα-helixtrans-62.9-52.6176.8-66.4165.7000109.7V490 L493 F503 L513 L527 P531 A537 Q538 V539V490-I535 HydrophobicContact CG1-CD1 4.08Å; V490-I535 HydrophobicContact CG2-CD1 4.35Å; L493-I535 HydrophobicContact CD1-CG1 3.91Å; F503-I535 HydrophobicContact CE2-CD1 3.95Å; F503-I535 HydrophobicContact CZ-CD1 3.84Å; F503-I535 HydrophobicContact CZ-CG2 4.26Å; L513-I535 HydrophobicContact CD1-CG2 4.31Å; L527-I535 HydrophobicContact CD2-CD1 3.63Å; P531-I535 WeakPolarHBondContact O-CG1 3.39Å; P531-I535 PolarHBondContact O-N 3.23Å; I535-A537 VanDerWaalsContact C-N 3.32Å; I535-A537 PolarHBondContact O-N 3.12Å; I535-Q538 PolarHBondContact O-N 2.78Å; I535-Q538 VanDerWaalsContact O-N 3.11Å; I535-V539 HydrophobicContact CG2-CG2 4.24Å; I535-V539 WeakPolarHBondContact O-CG2 3.43Å; I535-V539 PolarHBondContact O-N 3.11Å
536R93.1Very high88.1Confident66 Ų6663.6 Ų63.625%0.24934%0.339CS..Hα-helixtrans-58.3-40.5179.4-75.6179.263.7-132.210.2113.3E518 L521 A532 L533 A540 Y548E518-R536 IonicContact OE2-CZ 3.37Å; E518-R536 IonicContact OE2-NH1 2.68Å; E518-R536 PolarHBondContact OE2-NH1 3.36Å; L521-R536 HydrophobicContact CD1-CG 3.56Å; A532-R536 WeakPolarHBondContact O-CG 3.36Å; A532-R536 PolarHBondContact O-N 3.32Å; A532-R536 VanDerWaalsContact O-N 3.09Å; L533-R536 PolarHBondContact O-N 3.2Å; R536-A540 VanDerWaalsContact O-CB 3.28Å; R536-A540 WeakPolarHBondContact O-CB 3.47Å; R536-A540 PolarHBondContact O-N 3Å; R536-Y548 HydrophobicContact CB-CE2 4.2Å; R536-Y548 PolarHBondContact NH1-OH 2.72Å
537A92.6Very high85.9Confident34 Ų3469.6 Ų69.628%0.28135%0.35SS..Hα-helixtrans-64-41.1176.400000112.4L533 I535 R541L533-A537 VanDerWaalsContact O-CB 3.24Å; L533-A537 WeakPolarHBondContact O-CB 3.47Å; L533-A537 PolarHBondContact O-N 3.01Å; I535-A537 VanDerWaalsContact C-N 3.32Å; I535-A537 PolarHBondContact O-N 3.12Å; A537-R541 WeakPolarHBondContact O-CG 3.41Å; A537-R541 PolarHBondContact O-N 3.44Å
538Q92.5Very high83.7Confident56 Ų5674 Ų7426%0.26237%0.367SS..Hα-helixtrans-74-35.8179.7-65.2-69.54.500112.6F489 L493 K534 I535 R541 R542F489-Q538 HydrophobicContact CE2-CB 4.11Å; F489-Q538 HydrophobicContact CZ-CB 3.72Å; L493-Q538 HydrophobicContact CD1-CB 4.36Å; L493-Q538 HydrophobicContact CD1-CG 4.33Å; L493-Q538 HydrophobicContact CD2-CB 4.41Å; L493-Q538 HydrophobicContact CD2-CG 3.84Å; K534-Q538 VanDerWaalsContact O-CG 3.28Å; K534-Q538 WeakPolarHBondContact O-CG 3.38Å; K534-Q538 PolarHBondContact O-N 3.27Å; K534-Q538 VanDerWaalsContact O-N 3.12Å; I535-Q538 PolarHBondContact O-N 2.78Å; I535-Q538 VanDerWaalsContact O-N 3.11Å; Q538-R541 PolarHBondContact O-N 3Å; Q538-R542 PolarHBondContact O-N 3.13Å; Q538-R542 VanDerWaalsContact O-N 3.08Å
539V92.8Very high81.2Confident9 Ų974.5 Ų74.56%0.05538%0.38CS..Hα-helixtrans-62.6-47170.8172.70000110.5F489 L513 I535 R541 R542 L543F489-V539 HydrophobicContact CE1-CG2 3.73Å; F489-V539 HydrophobicContact CZ-CG2 4.07Å; L513-V539 HydrophobicContact CD1-CG2 3.81Å; L513-V539 HydrophobicContact CD2-CG2 3.83Å; L513-V539 HydrophobicContact CG-CG1 4.32Å; L513-V539 HydrophobicContact CG-CG2 3.69Å; I535-V539 HydrophobicContact CG2-CG2 4.24Å; I535-V539 WeakPolarHBondContact O-CG2 3.43Å; I535-V539 PolarHBondContact O-N 3.11Å; V539-R541 VanDerWaalsContact C-N 3.32Å; V539-R541 PolarHBondContact O-N 2.82Å; V539-R542 PolarHBondContact O-N 3Å; V539-L543 HydrophobicContact CG1-CD1 3.62Å; V539-L543 HydrophobicContact CG1-CG 4.33Å; V539-L543 WeakPolarHBondContact O-CB 3.48Å; V539-L543 VanDerWaalsContact O-CG 3.31Å; V539-L543 WeakPolarHBondContact O-CG 3.45Å; V539-L543 PolarHBondContact O-N 2.85Å
540A89.4Confident78.9Confident18 Ų1874 Ų7415%0.14939%0.389CS..Hα-helixtrans-60.7-37.9176.600000112.9R536 G544 R545 Y548R536-A540 VanDerWaalsContact O-CB 3.28Å; R536-A540 WeakPolarHBondContact O-CB 3.47Å; R536-A540 PolarHBondContact O-N 3Å; A540-G544 PolarHBondContact O-N 3.25Å; A540-R545 PolarHBondContact O-N 3.41Å; A540-Y548 HydrophobicContact CB-CD2 4.09Å
541R88.4Confident76.4Confident181 Ų18177.1 Ų77.168%0.68340%0.403SS*.Hα-helixtrans-62.4-46173.4-76.3178.874.3-120.4-2112.4A537 Q538 V539 G544A537-R541 WeakPolarHBondContact O-CG 3.41Å; A537-R541 PolarHBondContact O-N 3.44Å; Q538-R541 PolarHBondContact O-N 3Å; V539-R541 VanDerWaalsContact C-N 3.32Å; V539-R541 PolarHBondContact O-N 2.82Å; R541-G544 PolarHBondContact O-N 2.86Å
542R87.7Confident73.3Confident109 Ų10985 Ų8541%0.41144%0.436SS..Hα-helixtrans-67.7-38.1179.7-74.9-178.1172-94.26.5112.7V478 Q538 V539 G544V478-R542 HydrophobicContact CG2-CB 3.7Å; Q538-R542 PolarHBondContact O-N 3.13Å; Q538-R542 VanDerWaalsContact O-N 3.08Å; V539-R542 PolarHBondContact O-N 3Å; R542-G544 PolarHBondContact O-N 3.33Å
543L85.9Confident70.8Confident49 Ų4990.8 Ų90.826%0.25747%0.474SS..THydrogen-bonded Turntrans-71.7-2.3176.9-68.8168.9000114.6V478 P514 V539 R545V478-L543 HydrophobicContact CB-CD2 3.84Å; V478-L543 HydrophobicContact CB-CG 4.48Å; V478-L543 HydrophobicContact CG1-CD2 4.46Å; V478-L543 HydrophobicContact CG2-CD2 4.07Å; V478-L543 HydrophobicContact CG2-CG 4.31Å; P514-L543 HydrophobicContact CB-CD1 3.72Å; P514-L543 HydrophobicContact CG-CD1 3.98Å; P514-L543 HydrophobicContact CG-CD2 4.14Å; V539-L543 HydrophobicContact CG1-CD1 3.62Å; V539-L543 HydrophobicContact CG1-CG 4.33Å; V539-L543 WeakPolarHBondContact O-CB 3.48Å; V539-L543 VanDerWaalsContact O-CG 3.31Å; V539-L543 WeakPolarHBondContact O-CG 3.45Å; V539-L543 PolarHBondContact O-N 2.85Å; L543-R545 HydrophobicContact CB-CB 4.46Å; L543-R545 HydrophobicContact CB-CG 4.18Å; L543-R545 PolarHBondContact O-N 2.73Å
544G71.3Confident68.2Low60 Ų6094.7 Ų94.762%0.61950%0.499SS*.THydrogen-bonded Turntrans62.87.3-175.500000115.1A540 R541 R542 V546A540-G544 PolarHBondContact O-N 3.25Å; R541-G544 PolarHBondContact O-N 2.86Å; R542-G544 PolarHBondContact O-N 3.33Å; G544-V546 PolarHBondContact O-N 2.89Å
545R58.4Low65.6Low164 Ų16495.3 Ų95.362%0.61952%0.518SS*.  trans-83.3101.4-171.4-74.1-171.4-174.9-168.93.5111.1A540 L543 F547A540-R545 PolarHBondContact O-N 3.41Å; L543-R545 HydrophobicContact CB-CB 4.46Å; L543-R545 HydrophobicContact CB-CG 4.18Å; L543-R545 PolarHBondContact O-N 2.73Å; R545-F547 HydrophobicContact CB-CD2 4.24Å; R545-F547 PolarHBondContact O-N 3.17Å
546V45.9Very low63Low123 Ų123102.2 Ų102.275%0.74555%0.554SS**THydrogen-bonded Turntrans-7363.7177.9-166.70000111.8G544G544-V546 PolarHBondContact O-N 2.89Å
547F48.4Very low60.3Low179 Ų179104.7 Ų104.779%0.78558%0.579SS**THydrogen-bonded Turntrans-120.5-5.5174.2-71-64.6000113.8R545 V549R545-F547 HydrophobicContact CB-CD2 4.24Å; R545-F547 PolarHBondContact O-N 3.17Å; F547-V549 VanDerWaalsContact C-N 3.26Å; F547-V549 PolarHBondContact O-N 3.24Å
548Y48.4Very low57.7Low100 Ų100110.7 Ų110.739%0.39261%0.606SS.*  trans-89.631.6177.5-126.5-77.2000114.1L533 R536 A540L533-Y548 VanDerWaalsContact CD2-OH 3.3Å; L533-Y548 WeakPolarHBondContact CD2-OH 3.44Å; R536-Y548 HydrophobicContact CB-CE2 4.2Å; R536-Y548 PolarHBondContact NH1-OH 2.72Å; A540-Y548 HydrophobicContact CB-CD2 4.09Å
549V44.4Very low55.2Low135 Ų135116 Ų11682%0.81863%0.631SS**SBendtrans-125.647.5174.2-159.80000110.2F547F547-V549 VanDerWaalsContact C-N 3.26Å; F547-V549 PolarHBondContact O-N 3.24Å
550A45.6Very low52.6Low76 Ų76120.7 Ų120.763%0.62866%0.661SS**SBendtrans-134143.2171.500000110
551S43Very low50Low112 Ų112125.9 Ų125.978%0.78369%0.694SS**SBendtrans69.734.1165.8-530000119.1
552F31.4Very low47.3Very low185 Ų185123.3 Ų123.381%0.81170%0.698SS**  trans-137.7110.8142.1-86.8-71.5000111V554F552-V554 PolarHBondContact O-N 3.34Å; F552-V554 VanDerWaalsContact O-N 3.12Å
553P42.7Very low44.7Very low123 Ų123126.7 Ų126.780%0.79972%0.723SS**  trans-73.8100.5166.430.3-30.6000108.4A555P553-A555 VanDerWaalsContact C-N 3.29Å; P553-A555 PolarHBondContact O-N 2.95Å
554V39.7Very low42.3Very low132 Ų132135 Ų13580%0.875%0.751SS**  trans-67.993.5168.4179.30000107.6F552 L556F552-V554 PolarHBondContact O-N 3.34Å; F552-V554 VanDerWaalsContact O-N 3.12Å; V554-L556 PolarHBondContact O-N 3.5Å; V554-L556 VanDerWaalsContact O-N 3.09Å
555A41.9Very low40.5Very low88 Ų88136 Ų13673%0.72775%0.753SS**  trans-63.9109.7172.600000108.7P553P553-A555 VanDerWaalsContact C-N 3.29Å; P553-A555 PolarHBondContact O-N 2.95Å
556L39.6Very low39.5Very low147 Ų147134.5 Ų134.577%0.7777%0.765SS**  trans-55.7126.3167.6-78.7163000108.5V554 L558V554-L556 PolarHBondContact O-N 3.5Å; V554-L556 VanDerWaalsContact O-N 3.09Å; L556-L558 VanDerWaalsContact C-N 3.28Å; L556-L558 PolarHBondContact O-N 3.1Å
557P36.3Very low38.8Very low119 Ų119137.5 Ų137.577%0.77377%0.771SS**  trans-71.787.6174.129.4-33.4000109.2Q559P557-Q559 PolarHBondContact O-N 3.42Å
558L37.2Very low38.2Very low159 Ų159140.9 Ų140.983%0.83278%0.778SS**  trans-58.9110.5165-70175.7000107.9L556 P560L556-L558 VanDerWaalsContact C-N 3.28Å; L556-L558 PolarHBondContact O-N 3.1Å; L558-P560 WeakPolarHBondContact O-CD 3.02Å
559Q40.8Very low37.3Very low168 Ų168145.2 Ų145.279%0.78580%0.802SS**PPolyproline II helixtrans-62.7122.4178.6-68.9-177.6-13.100109.7P557P557-Q559 PolarHBondContact O-N 3.42Å
560P38.6Very low36.7Very low107 Ų107147.2 Ų147.270%0.69581%0.808SS**PPolyproline II helixtrans-71.2137.9168.230.1-32.7000109.2L558 T562L558-P560 WeakPolarHBondContact O-CD 3.02Å; P560-T562 PolarHBondContact O-N 3.2Å
561P34.8Very low35.8Very low128 Ų128146.7 Ų146.783%0.83181%0.809SS**PPolyproline II helixtrans-66.5121.5178.326.7-33.7000110.7L563P561-L563 PolarHBondContact O-N 2.7Å
562T32.1Very low35.1Very low127 Ų127148.9 Ų148.978%0.77982%0.818SS**  trans-7594.218043.30000112.3P560 R564P560-T562 PolarHBondContact O-N 3.2Å; T562-R564 PolarHBondContact O-N 3.21Å
563L32.7Very low35Very low180 Ų180143.2 Ų143.294%0.94281%0.812SS**  trans-76.496155.2-80.9171.5000109.2P561P561-L563 PolarHBondContact O-N 2.7Å
564R34.3Very low34.4Very low224 Ų224146.8 Ų146.885%0.84582%0.818SS**  trans-82.7110.6170.2-87.1-75.5178.1104.6-2.9110T562T562-R564 PolarHBondContact O-N 3.21Å
565A34.8Very low34Very low80 Ų80149 Ų14966%0.66182%0.819SS**  trans-71145.2155.300000109.5
566P36.8Very low33.8Very low133 Ų133149.9 Ų149.986%0.86482%0.818SS**  trans-91.6105174.533.4-30.1000111.1
567E32.3Very low33.4Very low185 Ų185150.5 Ų150.586%0.86482%0.821SS**  trans-98.3138.2161.7-70.3-177.3109.700109.9
568R35.2Very low33.3Very low250 Ų250150.3 Ų150.394%0.94382%0.823SS**  trans-143.4124.1166.6-89.9-166.5161.5-161.6-7.2108.6
569E30Very low33.8Very low192 Ų192148.6 Ų148.690%0.89782%0.821SS**  trans-91.6133.5179-66-155.797.100112.8
570L31.5Very low33.3Very low177 Ų177146 Ų14693%0.92782%0.817SS**  trans34.4122.4140.2-144.372.7000120.6
571G26.9Very low32.9Very low64 Ų64147.1 Ų147.166%0.6682%0.822SS**  trans179.9100162.300000115.2
572T27.8Very low32.6Very low158 Ų158145.1 Ų145.197%0.96982%0.816SS**  trans69.6128.7161.6-47.70000118.3
573G29.5Very low32.5Very low66 Ų66145.8 Ų145.868%0.6882%0.82SS**  trans133.495.8160.300000116.5
574E30.2Very low32.4Very low199 Ų199141.9 Ų141.993%0.9381%0.808SS**  trans44.2136.2151.5-57.7-168.992.900123.1
575Q31.4Very low33.1Very low178 Ų178136.3 Ų136.383%0.83280%0.801SS**  trans-80.9152.3157.8-135.5-168-16.400108.6
576P38.1Very low33Very low107 Ų107143.2 Ų143.270%0.69581%0.811SS**  -156.2170.180.741.2-21.9000117.7
577L30.7Very low32.7Very low159 Ų159140.6 Ų140.683%0.83281%0.809SS**  trans65.2137.2150.9-71.2159.3000121.8
578S34.8Very low32.6Very low116 Ų116135.9 Ų135.981%0.81181%0.809SS**  trans-110.5144.5170.6-48.30000112.3
579P46.7Very low32.4Very low122 Ų122127.5 Ų127.579%0.79280%0.801SS**  trans-142.1-178.6143.735.6-19.2000113.8
580T29.5Very low32.6Very low114 Ų114127.4 Ų127.470%0.69980%0.8SS**  -171.4145.1-57.7-890000108.8
581T30.4Very low32.6Very low130 Ų130123.1 Ų123.180%0.79879%0.79SS**  trans62.5120.2172.143.10000118.1
582A28.7Very low33Very low87 Ų87128.1 Ų128.172%0.71980%0.801SS**  103.9160.989.300000111.1
583T29.5Very low33.3Very low140 Ų140125.2 Ų125.286%0.85979%0.793SS**  cis-150.816121.8-390000111.9
584S32.4Very low33.3Very low99 Ų99125.3 Ų125.369%0.69279%0.794SS**  trans-87.7166.3167-169.40000111.3
585P48.3Very low33.3Very low106 Ų106124.8 Ų124.869%0.68879%0.791SS**  -152.9-173.393.935.4-13.2000116.1
586Y32.8Very low33.2Very low226 Ų226122.5 Ų122.589%0.88679%0.789SS**  trans68.1124.9-179.1-67.3-91000116
587G29.8Very low32.8Very low78 Ų78122.5 Ų122.580%0.80479%0.792SS**  cis107.2127-1.800000113.3
588G30.9Very low33.8Very low85 Ų85120.1 Ų120.188%0.87679%0.786SS**  cis-176.9178.7-2.800000111.5
589G29.8Very low33.7Very low74 Ų74121.9 Ų121.976%0.76378%0.779SS**  trans-179.7131.4178.200000116.6
590H35.5Very low33.1Very low190 Ų190125.4 Ų125.488%0.8879%0.785SS**  trans-52.3148.9-177.6-54.5-91.7000115.3
591A31.4Very low33.2Very low88 Ų88126.7 Ų126.773%0.72778%0.783SS**  cis102.5123.32100000115.6
592L35.9Very low33.5Very low169 Ų169128.6 Ų128.689%0.88579%0.788SS**  trans166.6122.8159.7-89.6161.1000105.9
593A33.3Very low33.9Very low96 Ų96127.1 Ų127.179%0.79378%0.782SS**  66.3133.669.500000114.4
594G28.3Very low34Very low68 Ų68127.7 Ų127.770%0.70179%0.785SS**  cis162.8164-7.400000113.3
595Q30.9Very low34.2Very low188 Ų188130.8 Ų130.888%0.87979%0.793SS**  trans67.5165.4174.4-43.1-160.515.100115.7
596T28.7Very low33.6Very low130 Ų130129.5 Ų129.580%0.79879%0.792SS**  cis-149.3177.89.4-15.90000112.1
597S29.7Very low33.6Very low107 Ų107126.8 Ų126.875%0.74879%0.792SS**  trans-80.1-170.1169.9-144.30000111.4
598P52.4Low33.9Very low110 Ų110130.9 Ų130.971%0.71479%0.794SS**  cis-147.9170.36.645.1-24.7000120.6
599K32.4Very low34.8Very low152 Ų152133.1 Ų133.166%0.66179%0.793SS**  trans28.9130.6134.3-167.7-174.4175.5-175.40122.4E601K599-E601 WeakPolarHBondContact CE-OE1 3.34Å; K599-E601 WeakPolarHBondContact CE-OE2 3.49Å; K599-E601 IonicContact NZ-OE1 3.2Å; K599-E601 PolarHBondContact NZ-OE1 3.43Å; K599-E601 IonicContact NZ-OE2 3.65Å; K599-E601 PolarHBondContact NZ-OE2 2.68Å
600Q34.8Very low34.8Very low196 Ų196133.4 Ų133.492%0.91680%0.796SS**  trans-142.2-177.8142.3-143.4179.6-5.800111.5
601E32.4Very low34.9Very low141 Ų141129 Ų12966%0.65979%0.793SS**  trans-159145.3-153-150.9150.650.200114.1K599K599-E601 WeakPolarHBondContact CE-OE1 3.34Å; K599-E601 WeakPolarHBondContact CE-OE2 3.49Å; K599-E601 IonicContact NZ-OE1 3.2Å; K599-E601 PolarHBondContact NZ-OE1 3.43Å; K599-E601 IonicContact NZ-OE2 3.65Å; K599-E601 PolarHBondContact NZ-OE2 2.68Å
602N35.5Very low36.1Very low170 Ų170130.5 Ų130.591%0.90980%0.795SS**  trans64.7158.7175.2-100.3-22.1000119.3
603G36.7Very low36.2Very low56 Ų56129.8 Ų129.858%0.57779%0.792SS**  cis144148.1-9.200000114.3
604T31.6Very low37.4Very low152 Ų152130.4 Ų130.493%0.93379%0.788SS**  trans178.7155.5158.4-77.50000111.5
605L37.9Very low38Very low165 Ų165132.8 Ų132.886%0.86479%0.794SS**  trans-148.9164.4-171.4-163.2146.2000112.4
606A35.1Very low38.6Very low79 Ų79132.6 Ų132.665%0.65379%0.793SS**  trans83.8157.3171.300000116.2
607L33.6Very low40.2Very low169 Ų169131.5 Ų131.589%0.88579%0.788SS**  cis-138.4172.817.8-76.1161000113.8
608L35.4Very low40.9Very low164 Ų164134 Ų13486%0.85979%0.792SS**  trans-91.8-174.7161.3-63.7173.5000109.7
609P48.4Very low40.5Very low132 Ų132137.8 Ų137.886%0.85782%0.819SS**  cis-136.3-172.90.543.5-25.3000115.6
610G30.1Very low40.9Very low79 Ų79137.1 Ų137.181%0.81483%0.827SS**  trans173.6150.6167.300000115.3
611A37.4Very low41.3Very low99 Ų99134 Ų13482%0.81882%0.822SS**  trans-165.6177-176.900000110.2
612P57.3Low41.7Very low118 Ų118133.6 Ų133.677%0.76683%0.832SS**  cis-128.4-148.1-3339.3-20.5000112.1
613D38.1Very low42.1Very low155 Ų155131.5 Ų131.583%0.82983%0.827SS**  trans90.5154.5156.4-95.723.5000122.2
614P57.7Low42.5Very low108 Ų108136.2 Ų136.270%0.70184%0.843SS**  trans-130.2-178.1-154.244.9-30000115.8
615S41.9Very low43.2Very low118 Ų118135.1 Ų135.183%0.82584%0.837SS**  trans-161.8142.8148.5-12.20000112.9
616Q44.3Very low43.5Very low184 Ų184133 Ų13386%0.8684%0.835SS**  trans-89.3173152.2-58.6179.7-36.800108.6
617P61.7Low44.2Very low107 Ų107137.2 Ų137.270%0.69585%0.849SS**  -152.6156.98739.2-21.6000116.8
618L44.1Very low45.1Very low159 Ų159134.5 Ų134.583%0.83285%0.846SS**  trans62.4139.1149.4-64.8163.2000118.8
619C44.5Very low46Very low191 Ų191131.8 Ų131.8100%1.29184%0.844SS**  cis-131.10-1.9-79.50000110

Retrieved 619 of 619 residues in 250.4 ms (Link to these results)