A0A096LXU1_POEFO Loading...

Nuclear protein MDM1

Microtubule-binding protein that negatively regulates centriole duplication. Binds to and stabilizes microtubules.

AlphaFold DB , UniProt , Accession A0A096LXU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low53.9Low239 Ų239161 Ų161100%1.17779%0.787SS**  0135.40-63.7158.599.900107.7
2T47.6Very low54.5Low136 Ų136157.7 Ų157.783%0.83477%0.769SS**  trans-113.499.3-172.4-47.30000110.8R4T2-R4 PolarHBondContact O-N 2.92Å
3V50.8Low55.1Low115 Ų115157.5 Ų157.570%0.69776%0.762SS**  trans-74.7121.7-178.4-175.60000109.9F5V3-F5 HydrophobicContact CG1-CD2 4.28Å; V3-F5 HydrophobicContact CG1-CE2 4Å
4R52.3Low55.5Low226 Ų226151.7 Ų151.785%0.85375%0.745SS**  trans-101.396.8-179-56.5-175.284.7151.16.7110.2T2 K6T2-R4 PolarHBondContact O-N 2.92Å; R4-K6 PolarHBondContact O-N 2.84Å
5F48.7Very low55.7Low186 Ų186152.9 Ų152.982%0.81674%0.74SS**  trans-63.7124.2172.9-78.1-91.9000110.9V3V3-F5 HydrophobicContact CG1-CD2 4.28Å; V3-F5 HydrophobicContact CG1-CE2 4Å
6K63.4Low55.8Low208 Ų208146.4 Ų146.490%0.90473%0.726SS**  trans-118.899.1168.5-87.7-173.1172.1-1780108.8R4R4-K6 PolarHBondContact O-N 2.84Å
7S52.7Low55.7Low109 Ų109145.4 Ų145.476%0.76273%0.728SS**  trans-134.590.6173.4450000110.1
8Q57.6Low55.5Low150 Ų150143.8 Ų143.870%0.70173%0.731SS**  trans-88.6120.1156.7-75.1-177.2-25.100107.2
9S65.1Low55.2Low72 Ų72148.9 Ų148.950%0.50374%0.74SS.*  trans-69.5150174.758.30000110.5Y11 Q12S9-Y11 PolarHBondContact O-N 2.78Å; S9-Q12 WeakPolarHBondContact O-CB 3.42Å; S9-Q12 PolarHBondContact O-N 3.44Å
10E57.4Low54.7Low158 Ų158147.2 Ų147.274%0.73874%0.743SS**Hα-helixtrans-62.9-27.6-179.4-60.4-171.6116.400112.3Q12 K13 S14E10-Q12 PolarHBondContact O-N 3.15Å; E10-K13 WeakPolarHBondContact O-CB 3.36Å; E10-K13 PolarHBondContact O-N 2.77Å; E10-S14 PolarHBondContact O-N 3.05Å; E10-S14 PolarHBondContact O-OG 3.21Å; E10-S14 VanDerWaalsContact O-OG 3.07Å
11Y54.4Low54.2Low172 Ų172151.5 Ų151.568%0.67575%0.75SS**Hα-helixtrans-53.5-36.5168.7-166.2-98.7000113.1S9 S14 Y15S9-Y11 PolarHBondContact O-N 2.78Å; Y11-S14 WeakPolarHBondContact CA-OG 3.44Å; Y11-S14 PolarHBondContact O-OG 2.72Å; Y11-Y15 AromaticContact CD2-CD2 4Å; Y11-Y15 HydrophobicContact CD2-CD2 4Å; Y11-Y15 HydrophobicContact CD2-CE2 4.03Å; Y11-Y15 AromaticContact CE2-CD2 3.92Å; Y11-Y15 HydrophobicContact CE2-CD2 3.92Å; Y11-Y15 AromaticContact CE2-CE2 3.91Å; Y11-Y15 HydrophobicContact CE2-CE2 3.91Å; Y11-Y15 HydrophobicContact CG-CD2 4.36Å; Y11-Y15 WeakPolarHBondContact O-CD2 3.45Å; Y11-Y15 PolarHBondContact O-N 3.14Å
12Q60.2Low54.1Low121 Ų121145.6 Ų145.657%0.56573%0.733SS**Hα-helixtrans-77.5-23.8178.3-156.1175.432.500112.6S9 E10 G16S9-Q12 WeakPolarHBondContact O-CB 3.42Å; S9-Q12 PolarHBondContact O-N 3.44Å; E10-Q12 PolarHBondContact O-N 3.15Å; Q12-G16 PolarHBondContact O-N 3.46Å
13K62.7Low53.7Low156 Ų156145.8 Ų145.868%0.67873%0.733SS**Hα-helixtrans-75.3-36.4171.1-74-179.6175.6174.20112.5E10E10-K13 WeakPolarHBondContact O-CB 3.36Å; E10-K13 PolarHBondContact O-N 2.77Å
14S61.4Low53.1Low76 Ų76145 Ų14553%0.53173%0.732SS.*Hα-helixtrans-84.3-26.3-172.946.10000114.5E10 Y11E10-S14 PolarHBondContact O-N 3.05Å; E10-S14 PolarHBondContact O-OG 3.21Å; E10-S14 VanDerWaalsContact O-OG 3.07Å; Y11-S14 WeakPolarHBondContact CA-OG 3.44Å; Y11-S14 PolarHBondContact O-OG 2.72Å
15Y57.4Low53Low170 Ų170140.1 Ų140.167%0.66773%0.73SS**SBendtrans-118.54.7-178.5-59.4-76.6000114.4Y11 V17Y11-Y15 AromaticContact CD2-CD2 4Å; Y11-Y15 HydrophobicContact CD2-CD2 4Å; Y11-Y15 HydrophobicContact CD2-CE2 4.03Å; Y11-Y15 AromaticContact CE2-CD2 3.92Å; Y11-Y15 HydrophobicContact CE2-CD2 3.92Å; Y11-Y15 AromaticContact CE2-CE2 3.91Å; Y11-Y15 HydrophobicContact CE2-CE2 3.91Å; Y11-Y15 HydrophobicContact CG-CD2 4.36Å; Y11-Y15 WeakPolarHBondContact O-CD2 3.45Å; Y11-Y15 PolarHBondContact O-N 3.14Å; Y15-V17 PolarHBondContact O-N 3.43Å
16G57.2Low52.6Low49 Ų49140.4 Ų140.451%0.50573%0.734SS.*  trans-74.7101.4177.700000113.2Q12Q12-G16 PolarHBondContact O-N 3.46Å
17V54.2Low51.4Low128 Ų128142.1 Ų142.178%0.77674%0.735SS**  trans-59130.9171.4178.70000110.2Y15 R19Y15-V17 PolarHBondContact O-N 3.43Å; V17-R19 PolarHBondContact O-N 3.46Å
18P53.6Low50.9Low118 Ų118143.2 Ų143.277%0.76674%0.741SS**  trans-60.7103.9176.6-25.135.3000112.1S20P18-S20 PolarHBondContact O-N 3.34Å
19R48.8Very low50.5Low240 Ų240147.4 Ų147.491%0.90675%0.751SS**  trans-7991.8177.7-154.4176.2-165.91744.3109V17 R21V17-R19 PolarHBondContact O-N 3.46Å; R19-R21 PolarHBondContact O-N 2.97Å; R19-R21 VanDerWaalsContact O-N 3.13Å
20S46.1Very low49.6Very low115 Ų115149.8 Ų149.880%0.80476%0.764SS**  trans-48.8115.5-177.3-61.80000112.2P18 S22P18-S20 PolarHBondContact O-N 3.34Å; S20-S22 PolarHBondContact O-N 3.17Å
21R43.2Very low48.8Very low238 Ų238150.8 Ų150.890%0.89877%0.774SS**  trans-81.492.1176.1-72.9-175.6169.1-146.6-2.6110R19 V23R19-R21 PolarHBondContact O-N 2.97Å; R19-R21 VanDerWaalsContact O-N 3.13Å; R21-V23 PolarHBondContact O-N 3.29Å
22S41Very low47.9Very low115 Ų115147.9 Ų147.980%0.80479%0.785SS**PPolyproline II helixtrans-59.2129.1162.751.80000109.9S20S20-S22 PolarHBondContact O-N 3.17Å
23V39.1Very low46.7Very low139 Ų139145.4 Ų145.484%0.84279%0.792SS**PPolyproline II helixtrans-70.1130.1-175.6179.30000110.8R21R21-V23 PolarHBondContact O-N 3.29Å
24S39.4Very low45.5Very low98 Ų98146.6 Ų146.669%0.68581%0.805SS**PPolyproline II helixtrans-86.2127.117057.20000110.9
25P50.4Low44.4Very low125 Ų125154.4 Ų154.481%0.81282%0.823SS**PPolyproline II helixtrans-58.5146.3170.6-24.435.1000112.3
26Q39.2Very low43.9Very low191 Ų191151.8 Ų151.889%0.89383%0.827SS**PPolyproline II helixtrans-78.4159.8-179-71.1176.7-66.800112.7
27R38.8Very low43Very low244 Ų244155.8 Ų155.892%0.92184%0.837SS**PPolyproline II helixtrans-69.1134172-67175169-173-5.5111.3
28C42.2Very low42.5Very low132 Ų132157 Ų15789%0.89283%0.834SS**PPolyproline II helixtrans-101.6152.4147.8-74.10000109.6
29R48.1Very low41.8Very low239 Ų239158.8 Ų158.890%0.90284%0.837SS**PPolyproline II helixtrans-88.5152.7-179.3-80.1-177.9169-176.8-3.5111.7
30P46.5Very low41.2Very low121 Ų121157.7 Ų157.779%0.78683%0.832SS**PPolyproline II helixtrans-77.3146.116933.5-34.2000111.2
31L41.3Very low40.9Very low180 Ų180160 Ų16094%0.94283%0.834SS**  trans-136.5158.2163.8-77.9177000110
32A35.3Very low40.5Very low110 Ų110154.3 Ų154.391%0.90983%0.831SS**  trans-70.5156.6-16200000115.4
33G35.8Very low40.6Very low69 Ų69159.9 Ų159.971%0.71183%0.834SS**  trans167.7123.3163.400000114.9
34L37.3Very low40.7Very low181 Ų181158.4 Ų158.495%0.94883%0.827SS**  trans58.8103.7151.4-50.6-178.6000119.7
35R37.2Very low41.1Very low240 Ų240160.1 Ų160.191%0.90684%0.836SS**  trans-88.2169.4139.9-92-168.9-179.7-155.82.8108.9
36P46.4Very low40.4Very low116 Ų116157.5 Ų157.575%0.75383%0.832SS**  cis-132.1-160.4-23.336.7-17.2000112.1
37D38.9Very low40.5Very low133 Ų133157 Ų15771%0.71183%0.834SS**  trans80.298.2154.3-160.220.2000120
38Q43Very low40.6Very low154 Ų154153.9 Ų153.972%0.7283%0.83SS**  -157.3128.3118-115.1-173.833.100111.2R40Q38-R40 PolarHBondContact O-N 2.79Å
39N40.7Very low40.4Very low154 Ų154159.3 Ų159.382%0.82483%0.832SS**  trans-65.7109.9174-74.9-31.7000111.6
40R35.4Very low40Very low217 Ų217155.6 Ų155.682%0.81983%0.829SS**  trans-129.6100.9164.4-73.1-166.9176.8-113.7-3.4112Q38Q38-R40 PolarHBondContact O-N 2.79Å
41I40.8Very low39.6Very low165 Ų165159.5 Ų159.585%0.84683%0.834SS**  trans-79.2130.5171.5-61.9163000109.1
42S34.7Very low39.5Very low117 Ų117161.8 Ų161.882%0.81883%0.83SS**  trans-152.3104.3153.643.90000111.6
43R41.8Very low39.9Very low233 Ų233162.9 Ų162.988%0.87983%0.828SS**PPolyproline II helixtrans-81171.2161.7-120-166.5164.2-175.5-4.4109.1
44P42.4Very low39.7Very low108 Ų108162.4 Ų162.470%0.70182%0.823SS**PPolyproline II helixtrans-69.3159.4-167.329.5-36.2000113.8G46P44-G46 PolarHBondContact O-N 2.91Å
45P46.3Very low40Very low133 Ų133159.7 Ų159.786%0.86482%0.816SS**PPolyproline II helixtrans-68.2125-17827.6-34.8000112.6
46G36.6Very low40.4Very low70 Ų70154.4 Ų154.472%0.72281%0.813SS**  trans-85.2178.6166.500000113P44P44-G46 PolarHBondContact O-N 2.91Å
47L40.8Very low39.8Very low181 Ų181157.9 Ų157.995%0.94882%0.819SS**  trans-57.5147.3-172.7-66169.5000114.5
48Q41.8Very low39.7Very low179 Ų179157.6 Ų157.684%0.83683%0.828SS**  trans-72137.3-179.9-55.217620.200112.2
49R38.1Very low39Very low245 Ų245153.5 Ų153.593%0.92583%0.827SS**  trans-144.3124.3155.6-100-174.2172.3-123.5-2.2109.7
50L38.9Very low38.8Very low161 Ų161152.7 Ų152.784%0.84382%0.822SS**  trans-70156.5179.8-81.669.4000111.7
51K37.1Very low38.5Very low204 Ų204150.4 Ų150.489%0.88782%0.819SS**  trans-96.8155.1169.3-88-176174.6179.50111.9
52R41Very low38.2Very low227 Ų227149.8 Ų149.886%0.85782%0.816SS**  trans-40.5159.5168.1-61.7179.1-177.1171.2-2114.2
53P43.9Very low39Very low134 Ų134150 Ų15087%0.8782%0.815SS**  -101.9173.986.4-1934.5000115.1
54G31.1Very low38.2Very low59 Ų59143 Ų14361%0.60881%0.814SS**  trans-128.9166.9174.800000111.8
55P42.3Very low37.6Very low124 Ų124143.5 Ų143.581%0.80582%0.821SS**  trans-80.7164.1179.334.6-35.8000112.9
56P45.3Very low38.1Very low128 Ų128142.8 Ų142.883%0.83182%0.816SS**  trans-78.8175.717834-36.9000113.9
57E35.6Very low37.7Very low189 Ų189144 Ų14488%0.88382%0.82SS**  trans-80.6154.2-169.6-51.7-179.5146.300115.3
58S35.3Very low37.6Very low128 Ų128142.8 Ų142.890%0.89581%0.814SS**  trans175.6160.9136.538.80000110.4
59G29.9Very low37.9Very low68 Ų68139.8 Ų139.870%0.70181%0.81SS**  trans116.332.3157.100000120.8
60N34.9Very low37.5Very low136 Ų136134.4 Ų134.473%0.72780%0.804SS**  trans38129.6135.4-72.1-4.6000123.5
61F30.6Very low37.2Very low170 Ų170132.4 Ų132.475%0.74680%0.802SS**  trans74.2105.8147.9-56.6-51000122.3
62L34.5Very low36.8Very low151 Ų151134.5 Ų134.579%0.79181%0.805SS**  42.6159105.4-63.4-177.8000121.3
63P50Low36.1Very low123 Ų123128.1 Ų128.180%0.79980%0.8SS**  cis-134.6174.8-26.936.7-19.9000113.6
64G25.9Very low35.8Very low84 Ų84128 Ų12887%0.86680%0.798SS**  trans167.5138.7164.500000116.4
65S30Very low36.4Very low120 Ų120131.4 Ų131.484%0.83981%0.809SS**  trans-147.6167.1173.1-143.30000107.1
66P57.1Low36Very low117 Ų117130.9 Ų130.976%0.7681%0.808SS**  cis-136.1-162.8-5.841.4-22.6000113.9
67A26.8Very low35.4Very low96 Ų96131.7 Ų131.779%0.79381%0.811SS**  trans85.7140.715300000121.9
68D40.3Very low35.1Very low155 Ų155126.1 Ų126.183%0.82980%0.804SS**  trans-75.7159168.1-44.6-87.7000111.7
69P47.6Very low34.9Very low117 Ų117130.1 Ų130.176%0.7680%0.799SS**  -161.2163.384.742.2-21.5000119.7
70V29.8Very low34.8Very low131 Ų131136.7 Ų136.779%0.79481%0.808SS**  trans54.6126.5135.51780000123.8
71C32.7Very low34.7Very low120 Ų120136.2 Ų136.281%0.81181%0.806SS**  trans-3.1142.2151.8-470000123.5
72R27.8Very low34.9Very low248 Ų248133.5 Ų133.594%0.93681%0.808SS**  -167.3153.6122-128.7-177.2178.9147.72118.1
73A26.9Very low35.6Very low92 Ų92132.2 Ų132.276%0.7681%0.809SS**  trans76.4145.3140.400000123.1
74T36.8Very low34.7Very low133 Ų133132.8 Ų132.882%0.81681%0.81SS**  trans-100.4174.1164.953.60000110.6
75P45Very low34.9Very low130 Ų130134.6 Ų134.684%0.84481%0.809SS**  -144.8-171.6113.139.8-26000114.2
76S32.4Very low35Very low113 Ų113138.6 Ų138.679%0.7981%0.812SS**  trans-136.6153.6-174.157.90000114.5
77T33.5Very low35Very low145 Ų145137.9 Ų137.989%0.8981%0.807SS**  trans-150.1154.4159.345.20000106.3
78G29.8Very low35.8Very low71 Ų71139 Ų13973%0.73281%0.806SS**  cis110.9122.926.800000107.9
79R30.2Very low35.2Very low213 Ų213138.6 Ų138.680%0.80480%0.804SS**  cis-147174.513.5-70.7173.2157.3-141.11.6111.9D81R79-D81 IonicContact NH1-OD1 2.67Å; R79-D81 IonicContact NH1-OD2 3.05Å
80K28.9Very low34.4Very low205 Ų205139.6 Ų139.689%0.89181%0.807SS**  trans-117.9151.9149.6-76.6-173.9175.7-176.20108.4
81D31.8Very low34.3Very low126 Ų126138.7 Ų138.767%0.67481%0.807SS**  trans-132.7153.5169.5-76.1-68.4000111R79R79-D81 IonicContact NH1-OD1 2.67Å; R79-D81 IonicContact NH1-OD2 3.05Å
82S35.5Very low34Very low114 Ų114135.9 Ų135.980%0.79780%0.799SS**  trans-159.5156.4176.6-64.20000108.2
83P48.2Very low34.2Very low124 Ų124129.9 Ų129.981%0.80580%0.795SS**  trans-145.4133.5134.932.4-15.3000116.4
84V32Very low34.4Very low134 Ų134134 Ų13481%0.81280%0.798SS**  27.4137.7127.9145.40000121.5
85S30Very low34.6Very low122 Ų122133.1 Ų133.185%0.85379%0.794SS**  trans-152.7148.1140.1-79.50000110.2
86K31.8Very low34Very low205 Ų205134.6 Ų134.689%0.89179%0.79SS**  trans-155.7179.2-176.4-118.8-1631731800110.6
87P56.6Low34.7Very low102 Ų102134.5 Ų134.566%0.66279%0.787SS**  -116.8-172.8-129.145.4-34000115.1
88P44.3Very low34.4Very low120 Ų120130.5 Ų130.578%0.77977%0.774SS**  -125.3151.312836.7-29000111.2
89N28.4Very low34.5Very low146 Ų146137.2 Ų137.278%0.78178%0.784SS**  cis79.6101.625.2-170.626.8000116.7
90V29.2Very low34.7Very low137 Ų137138.1 Ų138.183%0.8379%0.787SS**  trans-147.8132151.2-178.10000110
91S28.2Very low35.2Very low112 Ų112134.5 Ų134.578%0.78378%0.784SS**  trans14.2147.3154.6-131.80000122.6
92G27.5Very low35.1Very low62 Ų62133.1 Ų133.164%0.63979%0.791SS**  cis159.8164.8-4.900000114.9
93S30.8Very low35Very low122 Ų122132.5 Ų132.585%0.85379%0.793SS**  trans55.3123.1160.752.80000123
94E31.3Very low34.2Very low179 Ų179132.8 Ų132.884%0.83679%0.787SS**  trans-44176.4148.2-98.5-173.284.900116.6
95P41Very low34.3Very low113 Ų113130 Ų13073%0.73479%0.785SS**  cis-140.9177.823.142.8-23.6000119.1
96E32.3Very low34.6Very low161 Ų161132.1 Ų132.175%0.75278%0.779SS**  trans-72-178.3154.8-86.6-85.9158.300111.7
97P48.4Very low34.6Very low111 Ų111127.5 Ų127.572%0.72177%0.773SS**  cis-130.9168.6-9.335.1-17.5000116.5
98G27.3Very low33.5Very low61 Ų61129.3 Ų129.363%0.62978%0.782SS**  trans95.1144.9135.100000120
99F30.3Very low33Very low212 Ų212132.4 Ų132.493%0.9378%0.783SS**  177.2136.3124.8-96.4-66.4000110.7
100R34.8Very low33.3Very low233 Ų233133.7 Ų133.788%0.87979%0.789SS**  trans-96.5153.7160.3-77.8-175.8171.8-167.1-1.8109.2
101P39.7Very low33.7Very low128 Ų128136.2 Ų136.283%0.83178%0.784SS**  trans-115.1165.4135.834.6-29.3000111.5
102A30.5Very low34.3Very low98 Ų98136.1 Ų136.181%0.8178%0.78SS**  trans-138.6139.1177.400000110.8
103A32.1Very low34.4Very low101 Ų101138.2 Ų138.284%0.83579%0.785SS**  trans-178.1153.6168.700000108
104D32.3Very low34.8Very low129 Ų129139.2 Ų139.269%0.6978%0.776SS**  cis-154.9147.7-34.7-161.8-28.6000105.1K106D104-K106 VanDerWaalsContact CG-NZ 3.28Å; D104-K106 WeakPolarHBondContact OD1-CE 3.41Å; D104-K106 IonicContact OD1-NZ 2.84Å; D104-K106 PolarHBondContact OD1-NZ 3.13Å; D104-K106 IonicContact OD2-NZ 2.92Å; D104-K106 PolarHBondContact OD2-NZ 3.09Å
105G34.4Very low35.5Very low75 Ų75137.1 Ų137.177%0.77378%0.778SS**  trans-170.446-158.100000118.4
106K35.2Very low34.7Very low167 Ų167135.5 Ų135.573%0.72678%0.782SS**  trans-67.2147.4165.8-59.3131.9-175.7143.60109.1D104D104-K106 VanDerWaalsContact CG-NZ 3.28Å; D104-K106 WeakPolarHBondContact OD1-CE 3.41Å; D104-K106 IonicContact OD1-NZ 2.84Å; D104-K106 PolarHBondContact OD1-NZ 3.13Å; D104-K106 IonicContact OD2-NZ 2.92Å; D104-K106 PolarHBondContact OD2-NZ 3.09Å
107S32.5Very low34.6Very low108 Ų108131.4 Ų131.476%0.75578%0.783SS**  cis-148.5-1765.2-76.20000107.1
108V32.9Very low34.4Very low141 Ų141132.5 Ų132.586%0.85579%0.79SS**  cis-158.8151.542.5170.80000110.6
109K34.2Very low34.6Very low185 Ų185133.8 Ų133.880%0.80479%0.794SS**  trans-87.5131.4178.2163.7-169.2176.5-1780112.5
110L33.9Very low34.9Very low172 Ų172131.4 Ų131.490%0.90179%0.786SS**  trans-156.7128.9139.3-84.1-166000111.3
111R38.4Very low35.3Very low191 Ų191126 Ų12672%0.72178%0.781SS**  trans-146.1125.3161-166.9-168.7-163.8-138.51.3108.4E114R111-E114 IonicContact CZ-OE1 3.39Å; R111-E114 IonicContact NH1-OE1 2.74Å; R111-E114 PolarHBondContact NH1-OE1 3.35Å; R111-E114 IonicContact NH2-OE1 2.77Å; R111-E114 PolarHBondContact NH2-OE1 3.5Å
112P39.6Very low34.9Very low109 Ų109126.4 Ų126.471%0.70877%0.772SS**  trans-128.4155145.534.6-23000110.3
113S31.1Very low35Very low106 Ų106128.5 Ų128.574%0.74177%0.765SS**  cis-156.3152.1-20.2-78.80000107.1
114E38Very low35.2Very low144 Ų144132.2 Ų132.267%0.67377%0.765SS**  trans-98.5157.8163.6-79.3159-152.800109.7R111R111-E114 IonicContact CZ-OE1 3.39Å; R111-E114 IonicContact NH1-OE1 2.74Å; R111-E114 PolarHBondContact NH1-OE1 3.35Å; R111-E114 IonicContact NH2-OE1 2.77Å; R111-E114 PolarHBondContact NH2-OE1 3.5Å
115P46Very low35.7Very low135 Ų135131.4 Ų131.488%0.87777%0.767SS**  -141.4147.7124.936.8-24.7000114
116G25.6Very low35.5Very low79 Ų79131 Ų13181%0.81476%0.762SS**  trans129.876.516000000117.1
117G30Very low35.5Very low74 Ų74130.9 Ų130.976%0.76377%0.77SS**  trans-81.6-164.7149.400000110.8
118P43.9Very low36.1Very low134 Ų134134.1 Ų134.187%0.8777%0.773SS**  cis-116.7-160.79.344.9-31.8000110.9
119A31.3Very low36.3Very low88 Ų88132.5 Ų132.573%0.72776%0.763SS**  cis-150.4163.84.600000111.3
120E36.6Very low37Very low163 Ų163130.9 Ų130.976%0.76276%0.763SS**  trans-84.3166.3158.9-150.8-174134.900110E122E120-E122 PolarHBondContact OE1-N 2.67Å
121P44.1Very low37.4Very low118 Ų118131.4 Ų131.477%0.76676%0.759SS**  -144.8125.1111.435.5-20.5000116
122E31Very low37.5Very low138 Ų138126.4 Ų126.465%0.64576%0.758SS**  48.5124123.1-65.2-13197.800122.5E120E120-E122 PolarHBondContact OE1-N 2.67Å
123Q32.6Very low37.6Very low142 Ų142132.8 Ų132.866%0.66477%0.768SS**  trans63.4103.5132.1-61-166.336.900122.4
124Q36Very low38.3Very low178 Ų178131 Ų13183%0.83277%0.767SS**  61.1171.7119.5-67.8-164.214.500120.8
125P42.1Very low39.3Very low112 Ų112132.6 Ų132.673%0.72777%0.774SS**  cis-119.2166.8-15.537.2-23.9000114.3
126G29.6Very low40.1Very low66 Ų66134.6 Ų134.668%0.6876%0.764SS**  trans59.1121.2138.200000121.4
127N36.9Very low42.4Very low166 Ų166133.9 Ų133.989%0.88875%0.747SS**  -160.1131.1122.6-103.6-48.6000111.5
128Q44.7Very low44.4Very low176 Ų176136.3 Ų136.382%0.82274%0.738SS**  trans-75.3127.7168.2-71.4174.878.600108.9
129V36.4Very low45.8Very low107 Ų107137.6 Ų137.665%0.64873%0.727SS**  trans-139.1105154.3-171.40000107.8K131V129-K131 HydrophobicContact CB-CG 4.4Å; V129-K131 HydrophobicContact CG1-CD 4.48Å; V129-K131 HydrophobicContact CG1-CG 3.76Å; V129-K131 PolarHBondContact O-N 3.12Å
130D49.4Very low47.7Very low150 Ų150138.4 Ų138.480%0.80272%0.716SS**  trans-64.982.1169.7-72-71000110.4A132D130-A132 VanDerWaalsContact C-N 3.26Å; D130-A132 PolarHBondContact O-N 2.86Å
131K42.7Very low49.5Very low184 Ų184139.1 Ų139.180%0.871%0.711SS**  trans-76.488.7171.9-69.9-165.1175.4179.40108.7V129V129-K131 HydrophobicContact CB-CG 4.4Å; V129-K131 HydrophobicContact CG1-CD 4.48Å; V129-K131 HydrophobicContact CG1-CG 3.76Å; V129-K131 PolarHBondContact O-N 3.12Å
132A40Very low50.9Low86 Ų86138.8 Ų138.871%0.71170%0.7SS**  trans-28.3134.9178.900000114.3D130 G134D130-A132 VanDerWaalsContact C-N 3.26Å; D130-A132 PolarHBondContact O-N 2.86Å; A132-G134 PolarHBondContact O-N 3.1Å
133W41.7Very low52.6Low242 Ų242137.9 Ų137.992%0.91769%0.693SS**  trans-18.898.8167.7-73.781.4000113.7Q135W133-Q135 PolarHBondContact O-N 3.19Å
134G45.7Very low54.4Low69 Ų69133.1 Ų133.171%0.71168%0.683SS**  trans-58.1106.4174.600000109.2A132 R136A132-G134 PolarHBondContact O-N 3.1Å; G134-R136 PolarHBondContact O-N 3.49Å
135Q58.1Low55.4Low177 Ų177136.5 Ų136.583%0.82769%0.688SS**  trans-61.694.7-175.3-73.8-70.3-5.100109.8W133 S137W133-Q135 PolarHBondContact O-N 3.19Å; Q135-S137 PolarHBondContact O-N 3.21Å
136R64.2Low56.8Low177 Ų177140.3 Ų140.367%0.66869%0.693SS**  trans-63.1100.9168-75.2-179.3173.9-94.5-1.7106.7G134G134-R136 PolarHBondContact O-N 3.49Å
137S72.6Confident58.7Low65 Ų65146.5 Ų146.546%0.45570%0.701SS.*  trans-50.1152.6179.763.80000110.6Q135 Y139 H140 R141Q135-S137 PolarHBondContact O-N 3.21Å; S137-Y139 PolarHBondContact O-N 3Å; S137-Y139 VanDerWaalsContact O-N 3.15Å; S137-H140 WeakPolarHBondContact O-CA 3.4Å; S137-H140 WeakPolarHBondContact O-CB 3.49Å; S137-H140 PolarHBondContact O-N 3.32Å; S137-R141 PolarHBondContact O-N 3.39Å
138E71.9Confident59.6Low125 Ų125144.5 Ų144.558%0.58470%0.698SS**Hα-helixtrans-56-37.8-176.6-167.1180174.500112H140 R141 Q142E138-H140 VanDerWaalsContact C-N 3.27Å; E138-H140 PolarHBondContact O-N 3.2Å; E138-R141 CarbonylContact O-C 3.58Å; E138-R141 WeakPolarHBondContact O-CA 3.49Å; E138-R141 WeakPolarHBondContact O-CB 3.43Å; E138-R141 PolarHBondContact O-N 2.94Å; E138-Q142 HydrophobicContact CG-CG 4.31Å; E138-Q142 WeakPolarHBondContact O-CG 3.47Å; E138-Q142 PolarHBondContact O-N 3Å; E138-Q142 PolarHBondContact OE1-NE2 2.84Å; E138-Q142 VanDerWaalsContact OE1-NE2 3.14Å
139Y73.9Confident60Low160 Ų160142.2 Ų142.263%0.62770%0.696SS**Hα-helixtrans-51.7-42.3169.9-170.9-94.7000113.3S137 R141 Q142 F143S137-Y139 PolarHBondContact O-N 3Å; S137-Y139 VanDerWaalsContact O-N 3.15Å; Y139-R141 VanDerWaalsContact C-N 3.27Å; Y139-R141 PolarHBondContact O-N 3.15Å; Y139-Q142 PolarHBondContact O-N 2.99Å; Y139-F143 AromaticContact CD2-CD2 3.9Å; Y139-F143 HydrophobicContact CD2-CD2 3.9Å; Y139-F143 HydrophobicContact CD2-CE2 4.31Å; Y139-F143 AromaticContact CE2-CD2 3.82Å; Y139-F143 HydrophobicContact CE2-CD2 3.82Å; Y139-F143 HydrophobicContact CE2-CE2 4.2Å; Y139-F143 HydrophobicContact CG-CD2 4.38Å; Y139-F143 PolarHBondContact O-N 3.13Å
140H70.5Confident61Low106 Ų106143.6 Ų143.649%0.49171%0.71SS.*Hα-helixtrans-75.5-12.5177.7-136.6108.9000113.5S137 E138S137-H140 WeakPolarHBondContact O-CA 3.4Å; S137-H140 WeakPolarHBondContact O-CB 3.49Å; S137-H140 PolarHBondContact O-N 3.32Å; E138-H140 VanDerWaalsContact C-N 3.27Å; E138-H140 PolarHBondContact O-N 3.2Å
141R75.4Confident61.4Low177 Ų177140.1 Ų140.167%0.66870%0.702SS**Hα-helixtrans-89.6-38.4169.3-62.6172.358.5-109.10.5111.5S137 E138 Y139S137-R141 PolarHBondContact O-N 3.39Å; E138-R141 CarbonylContact O-C 3.58Å; E138-R141 WeakPolarHBondContact O-CA 3.49Å; E138-R141 WeakPolarHBondContact O-CB 3.43Å; E138-R141 PolarHBondContact O-N 2.94Å; Y139-R141 VanDerWaalsContact C-N 3.27Å; Y139-R141 PolarHBondContact O-N 3.15Å
142Q74Confident62.5Low112 Ų112135.5 Ų135.552%0.52370%0.698SS.*Hα-helixtrans-72-45.7178-69.1167.7-12.600111.9E138 Y139E138-Q142 HydrophobicContact CG-CG 4.31Å; E138-Q142 WeakPolarHBondContact O-CG 3.47Å; E138-Q142 PolarHBondContact O-N 3Å; E138-Q142 PolarHBondContact OE1-NE2 2.84Å; E138-Q142 VanDerWaalsContact OE1-NE2 3.14Å; Y139-Q142 PolarHBondContact O-N 2.99Å
143F66.2Low63.8Low118 Ų118134.2 Ų134.252%0.51868%0.684SS.*SBendtrans-114.247.4-175.1-59.6-78.9000111.9Y139 W145Y139-F143 AromaticContact CD2-CD2 3.9Å; Y139-F143 HydrophobicContact CD2-CD2 3.9Å; Y139-F143 HydrophobicContact CD2-CE2 4.31Å; Y139-F143 AromaticContact CE2-CD2 3.82Å; Y139-F143 HydrophobicContact CE2-CD2 3.82Å; Y139-F143 HydrophobicContact CE2-CE2 4.2Å; Y139-F143 HydrophobicContact CG-CD2 4.38Å; Y139-F143 PolarHBondContact O-N 3.13Å; F143-W145 PolarHBondContact O-N 2.81Å; F143-W145 VanDerWaalsContact O-N 3.13Å
144G70.3Confident65.1Low43 Ų43127.7 Ų127.744%0.44367%0.673SS.*  trans-71.7100.6169.100000110.8K146G144-K146 PolarHBondContact O-N 2.97Å
145W57Low66.3Low248 Ų248130.9 Ų130.994%0.93967%0.673SS**  trans-61.595.8178.5-75.149.6000110.3F143 K147F143-W145 PolarHBondContact O-N 2.81Å; F143-W145 VanDerWaalsContact O-N 3.13Å; W145-K147 PolarHBondContact O-N 2.91Å
146K72.3Confident66.9Low193 Ų193127.3 Ų127.384%0.83966%0.659SS**PPolyproline II helixtrans-59.5124170.8-64-83.5-175.9168.10107.6G144G144-K146 PolarHBondContact O-N 2.97Å
147K69Low67.4Low195 Ų195122.5 Ų122.585%0.84865%0.649SS**PPolyproline II helixtrans-54.4126.8167.6-66.7-174.9179.2-176.60107.5W145 V149W145-K147 PolarHBondContact O-N 2.91Å; K147-V149 PolarHBondContact O-N 2.83Å; K147-V149 VanDerWaalsContact O-N 3.17Å
148P56.7Low67.1Low125 Ų125121.6 Ų121.681%0.81265%0.646SS**PPolyproline II helixtrans-62.3122.5-176.824-32.7000109.4
149V52.2Low67.1Low128 Ų128120.7 Ų120.778%0.77664%0.642SS**PPolyproline II helixtrans-60.7138.3166.2175.70000107.2K147 A151K147-V149 PolarHBondContact O-N 2.83Å; K147-V149 VanDerWaalsContact O-N 3.17Å; V149-A151 PolarHBondContact O-N 3.38Å
150S57Low67.2Low135 Ų135120 Ų12094%0.94464%0.644SS**SBendtrans-73.975.5-176.5-161.30000111.3
151A57.4Low67.3Low77 Ų77119.3 Ų119.364%0.63665%0.647SS**SBendtrans-122.2113.917500000108V149 S153V149-A151 PolarHBondContact O-N 3.38Å; A151-S153 PolarHBondContact O-N 2.86Å
152A65.5Low66.9Low88 Ų88116.4 Ų116.473%0.72764%0.644SS**  trans13.492175.100000115.8
153S68.8Low66.3Low59 Ų59117.6 Ų117.641%0.41365%0.649SS.*  trans-58127.3177.751.50000110.5A151 L155 L156A151-S153 PolarHBondContact O-N 2.86Å; S153-L155 PolarHBondContact O-N 3.4Å; S153-L156 PolarHBondContact O-N 2.92Å
154P68.3Low66.2Low105 Ų105116.2 Ų116.268%0.68266%0.655SS**Hα-helixtrans-64-16.6-17122.8-33.6000113.9T157 A158P154-T157 PolarHBondContact O-N 3.29Å; P154-A158 PolarHBondContact O-N 3.15Å
155L71.7Confident65.8Low135 Ų135119.3 Ų119.371%0.70767%0.665SS**Hα-helixtrans-62.2-44.5170.3-68.6170.7000112.4S153 T157 A158 E159S153-L155 PolarHBondContact O-N 3.4Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 2.79Å; L155-A158 WeakPolarHBondContact O-CB 3.41Å; L155-A158 PolarHBondContact O-N 2.92Å; L155-A158 VanDerWaalsContact O-N 3.15Å; L155-E159 PolarHBondContact O-N 3.21Å
156L70.1Confident65.9Low102 Ų102111.6 Ų111.653%0.53465%0.649SS.*Hα-helixtrans-65-37.3177.6-74.5172.8000111.4S153 A158 E159 Q160S153-L156 PolarHBondContact O-N 2.92Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-E159 PolarHBondContact O-N 3.23Å; L156-Q160 WeakPolarHBondContact O-CG 3.37Å; L156-Q160 PolarHBondContact O-N 3.2Å; L156-Q160 VanDerWaalsContact O-N 3.15Å
157T74.3Confident65.4Low77 Ų77113 Ų11347%0.47265%0.649SS.*Hα-helixtrans-63.2-40.4173.6-44.20000111.4P154 L155 V161P154-T157 PolarHBondContact O-N 3.29Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 2.79Å; T157-V161 PolarHBondContact O-N 2.95Å
158A66.8Low65.1Low46 Ų46108.6 Ų108.638%0.3864%0.643SS.*Hα-helixtrans-67.5-42.4177.200000112.5P154 L155 L156 Q160 V161 L162P154-A158 PolarHBondContact O-N 3.15Å; L155-A158 WeakPolarHBondContact O-CB 3.41Å; L155-A158 PolarHBondContact O-N 2.92Å; L155-A158 VanDerWaalsContact O-N 3.15Å; L156-A158 VanDerWaalsContact C-N 3.34Å; A158-Q160 VanDerWaalsContact C-N 3.35Å; A158-Q160 PolarHBondContact O-N 3.14Å; A158-V161 PolarHBondContact O-N 3.35Å; A158-L162 WeakPolarHBondContact O-CG 3.37Å; A158-L162 PolarHBondContact O-N 2.97Å
159E71.4Confident65.5Low106 Ų106110.3 Ų110.350%0.49564%0.643SS.*Hα-helixtrans-60.5-41.9176.4-73.6-178.3158.500111.9L155 L156 V161 L162 H163L155-E159 PolarHBondContact O-N 3.21Å; L156-E159 PolarHBondContact O-N 3.23Å; E159-V161 VanDerWaalsContact C-N 3.29Å; E159-V161 PolarHBondContact O-N 2.9Å; E159-L162 PolarHBondContact O-N 3.16Å; E159-H163 WeakPolarHBondContact O-CB 3.33Å; E159-H163 PolarHBondContact O-CD2 2.84Å; E159-H163 PolarHBondContact O-N 3.33Å
160Q76.1Confident66.2Low144 Ų144109 Ų10967%0.67364%0.638SS**Hα-helixtrans-61.7-34.4176.6-72.6-179-9.100113.1L156 A158 S164L156-Q160 WeakPolarHBondContact O-CG 3.37Å; L156-Q160 PolarHBondContact O-N 3.2Å; L156-Q160 VanDerWaalsContact O-N 3.15Å; A158-Q160 VanDerWaalsContact C-N 3.35Å; A158-Q160 PolarHBondContact O-N 3.14Å; Q160-S164 WeakPolarHBondContact O-CB 3.38Å; Q160-S164 PolarHBondContact O-N 2.97Å; Q160-S164 VanDerWaalsContact O-N 3.14Å; Q160-S164 PolarHBondContact O-OG 3Å
161V72.2Confident66.9Low92 Ų92108.4 Ų108.456%0.55863%0.63SS**Hα-helixtrans-72-42.4174.4176.20000111.5T157 A158 E159 S164 T165T157-V161 PolarHBondContact O-N 2.95Å; A158-V161 PolarHBondContact O-N 3.35Å; E159-V161 VanDerWaalsContact C-N 3.29Å; E159-V161 PolarHBondContact O-N 2.9Å; V161-S164 WeakPolarHBondContact CA-OG 3.21Å; V161-S164 PolarHBondContact O-N 2.87Å; V161-S164 PolarHBondContact O-OG 2.92Å; V161-S164 VanDerWaalsContact O-OG 3.1Å; V161-T165 PolarHBondContact O-N 3.07Å
162L67.3Low67.2Low116 Ų116112.5 Ų112.561%0.60763%0.634SS**Hα-helixtrans-66.5-36.8178.3-69171.5000112.6A158 E159 T165A158-L162 WeakPolarHBondContact O-CG 3.37Å; A158-L162 PolarHBondContact O-N 2.97Å; E159-L162 PolarHBondContact O-N 3.16Å; L162-T165 WeakPolarHBondContact O-CG2 3.35Å
163H62.7Low67.5Low137 Ų137117.9 Ų117.963%0.63464%0.641SS**Hα-helixtrans-76.5-34.7179.2-75.9-125.5000111.9E159 S166E159-H163 WeakPolarHBondContact O-CB 3.33Å; E159-H163 PolarHBondContact O-CD2 2.84Å; E159-H163 PolarHBondContact O-N 3.33Å; H163-S166 WeakPolarHBondContact O-CB 3.33Å; H163-S166 PolarHBondContact O-N 2.67Å; H163-S166 PolarHBondContact O-OG 3.34Å
164S63.4Low67.6Low90 Ų90121 Ų12163%0.62965%0.653SS**Hα-helixtrans-72.2-28.5177.351.30000113.9Q160 V161 S166Q160-S164 WeakPolarHBondContact O-CB 3.38Å; Q160-S164 PolarHBondContact O-N 2.97Å; Q160-S164 VanDerWaalsContact O-N 3.14Å; Q160-S164 PolarHBondContact O-OG 3Å; V161-S164 WeakPolarHBondContact CA-OG 3.21Å; V161-S164 PolarHBondContact O-N 2.87Å; V161-S164 PolarHBondContact O-OG 2.92Å; V161-S164 VanDerWaalsContact O-OG 3.1Å; S164-S166 VanDerWaalsContact C-N 3.31Å; S164-S166 PolarHBondContact O-N 3.46Å
165T60.8Low67.6Low107 Ų107122.8 Ų122.866%0.65666%0.656SS**THydrogen-bonded Turntrans-79.3-8.7174-158.90000114V161 L162 R167V161-T165 PolarHBondContact O-N 3.07Å; L162-T165 WeakPolarHBondContact O-CG2 3.35Å; T165-R167 PolarHBondContact O-N 3.33Å; T165-R167 VanDerWaalsContact O-N 3.09Å
166S59.5Low67.6Low86 Ų86122.1 Ų122.160%0.60166%0.659SS**THydrogen-bonded Turntrans-71.2-2.1-174.271.90000116H163 S164 S168H163-S166 WeakPolarHBondContact O-CB 3.33Å; H163-S166 PolarHBondContact O-N 2.67Å; H163-S166 PolarHBondContact O-OG 3.34Å; S164-S166 VanDerWaalsContact C-N 3.31Å; S164-S166 PolarHBondContact O-N 3.46Å; S166-S168 PolarHBondContact O-N 3.36Å; S166-S168 VanDerWaalsContact O-N 3.13Å
167R62.8Low67.7Low222 Ų222122.9 Ų122.984%0.83867%0.668SS**SBendtrans-77.7104.9-170.6-156.2175.1-157.3-138.12.6112.6T165T165-R167 PolarHBondContact O-N 3.33Å; T165-R167 VanDerWaalsContact O-N 3.09Å
168S62.9Low67.5Low104 Ų104124.1 Ų124.173%0.72768%0.677SS**  trans58.176.6168.255.20000116.2S166 P170S166-S168 PolarHBondContact O-N 3.36Å; S166-S168 VanDerWaalsContact O-N 3.13Å; S168-P170 WeakPolarHBondContact O-CD 3.31Å
169I63.8Low67.9Low160 Ų160130.6 Ų130.682%0.82170%0.702SS**PPolyproline II helixtrans-73.9119.1151.2-59.4173.8000107.1
170P67.7Low68.3Low102 Ų102131 Ų13166%0.66270%0.704SS**PPolyproline II helixtrans-68.7148.4177.928.6-34.2000110.9S168 F172S168-P170 WeakPolarHBondContact O-CD 3.31Å; P170-F172 PolarHBondContact O-N 3.49Å
171P70.6Confident68.6Low121 Ų121127.8 Ų127.879%0.78669%0.694SS**PPolyproline II helixtrans-61.7123.6-177.925-33.9000110.9K173P171-K173 PolarHBondContact O-N 3.06Å
172F65Low68.9Low164 Ų164130.9 Ų130.972%0.71970%0.702SS**PPolyproline II helixtrans-66117.3179.160.4-79000109.9P170 N174P170-F172 PolarHBondContact O-N 3.49Å; F172-N174 WeakPolarHBondContact CD2-OD1 3.31Å; F172-N174 VanDerWaalsContact CE2-ND2 3.33Å; F172-N174 WeakPolarHBondContact CE2-ND2 3.44Å; F172-N174 WeakPolarHBondContact CE2-OD1 3.5Å; F172-N174 PolarHBondContact O-N 3.06Å
173K71Confident69.5Low200 Ų200130 Ų13087%0.8769%0.692SS**  trans-71.798.5175.3-68.1-176.4179.7-179.20108.5P171 I175P171-K173 PolarHBondContact O-N 3.06Å; K173-I175 PolarHBondContact O-N 3.23Å
174N70.3Confident70.1Confident124 Ų124132.1 Ų132.166%0.66369%0.694SS**  trans-59.2105.5172.2-74.5-59.8000109.6F172 P176F172-N174 WeakPolarHBondContact CD2-OD1 3.31Å; F172-N174 VanDerWaalsContact CE2-ND2 3.33Å; F172-N174 WeakPolarHBondContact CE2-ND2 3.44Å; F172-N174 WeakPolarHBondContact CE2-OD1 3.5Å; F172-N174 PolarHBondContact O-N 3.06Å; N174-P176 VanDerWaalsContact O-CD 3.31Å; N174-P176 WeakPolarHBondContact O-CD 3.27Å
175I70.2Confident70.7Confident143 Ų143136 Ų13673%0.73370%0.695SS**  trans-73.2116.3166.1-59.4174.8000105.9K173 V177K173-I175 PolarHBondContact O-N 3.23Å; I175-V177 VanDerWaalsContact C-N 3.32Å; I175-V177 PolarHBondContact O-N 3.08Å
176P71.6Confident71.6Confident121 Ų121134.7 Ų134.779%0.78669%0.691SS**  trans-73.289.7178.530.2-33.5000109N174 P178N174-P176 VanDerWaalsContact O-CD 3.31Å; N174-P176 WeakPolarHBondContact O-CD 3.27Å; P176-P178 VanDerWaalsContact O-CD 3.27Å; P176-P178 WeakPolarHBondContact O-CD 3.47Å
177V70.3Confident72.1Confident118 Ų118135.1 Ų135.172%0.71568%0.682SS**  trans-69.6115.8173179.90000108.1I175 M179I175-V177 VanDerWaalsContact C-N 3.32Å; I175-V177 PolarHBondContact O-N 3.08Å; V177-M179 PolarHBondContact O-N 3.08Å; V177-M179 VanDerWaalsContact O-N 3.08Å
178P70.4Confident72.6Confident103 Ų103131.4 Ų131.467%0.66967%0.674SS**  trans-68.8110.2175.828.4-32.8000108.8P176 E180P176-P178 VanDerWaalsContact O-CD 3.27Å; P176-P178 WeakPolarHBondContact O-CD 3.47Å; P178-E180 PolarHBondContact O-N 2.93Å
179M75.4Confident72.7Confident183 Ų183130.5 Ų130.590%0.90168%0.681SS**  trans-76.867.4178.9-168.4179.4-70.900110.7V177 T181V177-M179 PolarHBondContact O-N 3.08Å; V177-M179 VanDerWaalsContact O-N 3.08Å; M179-T181 PolarHBondContact O-N 3.21Å
180E79.8Confident72.9Confident115 Ų115128.1 Ų128.154%0.53767%0.669SS.*  trans-71.6112.3173.9-67.3-159.4160.800110.7P178 R185P178-E180 PolarHBondContact O-N 2.93Å; E180-R185 HydrophobicContact CB-CG 4.16Å; E180-R185 WeakPolarHBondContact OE2-CG 3.48Å
181T82.8Confident72.9Confident75 Ų75129.5 Ų129.546%0.4668%0.675SS.*  trans-69151.8171.661.80000110.9M179 Y183 R184 R185M179-T181 PolarHBondContact O-N 3.21Å; T181-Y183 PolarHBondContact O-N 2.85Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; T181-R184 WeakPolarHBondContact O-CA 3.45Å; T181-R184 WeakPolarHBondContact O-CB 3Å; T181-R184 PolarHBondContact O-N 2.98Å; T181-R184 PolarHBondContact OG1-N 3.06Å; T181-R185 PolarHBondContact O-N 2.71Å
182E78.4Confident72.6Confident157 Ų157127.6 Ų127.673%0.73466%0.663SS**Hα-helixtrans-55-32.4175.4-61.1-179.5162.900112.3R185 S186E182-R185 PolarHBondContact O-N 2.94Å; E182-S186 VanDerWaalsContact O-CB 3.26Å; E182-S186 WeakPolarHBondContact O-CB 3.45Å; E182-S186 PolarHBondContact O-N 3.39Å; E182-S186 PolarHBondContact O-OG 2.85Å
183Y79.8Confident72.4Confident97 Ų97125.3 Ų125.338%0.3867%0.665SS.*Hα-helixtrans-61.3-47.4171.3-174.7-99.4000112.5T181 R185 S186 F187 P192T181-Y183 PolarHBondContact O-N 2.85Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; Y183-R185 VanDerWaalsContact C-N 3.25Å; Y183-R185 PolarHBondContact O-N 3.45Å; Y183-S186 PolarHBondContact O-N 3.31Å; Y183-F187 HydrophobicContact CD2-CB 4.4Å; Y183-F187 AromaticContact CD2-CD2 3.3Å; Y183-F187 HydrophobicContact CD2-CD2 3.3Å; Y183-F187 AromaticContact CD2-CE2 3.79Å; Y183-F187 HydrophobicContact CD2-CE2 3.79Å; Y183-F187 HydrophobicContact CD2-CG 4.03Å; Y183-F187 HydrophobicContact CE1-CB 4.45Å; Y183-F187 HydrophobicContact CE2-CB 3.98Å; Y183-F187 HydrophobicContact CE2-CD1 4.4Å; Y183-F187 AromaticContact CE2-CD2 3.41Å; Y183-F187 HydrophobicContact CE2-CD2 3.41Å; Y183-F187 VanDerWaalsContact CE2-CD2 3.41Å; Y183-F187 AromaticContact CE2-CE2 3.98Å; Y183-F187 HydrophobicContact CE2-CE2 3.98Å; Y183-F187 AromaticContact CE2-CG 3.67Å; Y183-F187 HydrophobicContact CE2-CG 3.67Å; Y183-F187 HydrophobicContact CG-CD2 4.09Å; Y183-F187 PolarHBondContact O-N 2.84Å; Y183-P192 WeakPolarHBondContact OH-CA 3.26Å; Y183-P192 WeakPolarHBondContact OH-CB 3.47Å; Y183-P192 WeakPolarHBondContact OH-CG 3.48Å
184R74.8Confident72.1Confident183 Ų183119.6 Ų119.669%0.69165%0.65SS**Hα-helixtrans-64.6-27.1175.8-79.7-74.1179.8170.6-1.1113.1T181 Q188T181-R184 WeakPolarHBondContact O-CA 3.45Å; T181-R184 WeakPolarHBondContact O-CB 3Å; T181-R184 PolarHBondContact O-N 2.98Å; T181-R184 PolarHBondContact OG1-N 3.06Å; R184-Q188 WeakPolarHBondContact O-CG 3.45Å; R184-Q188 PolarHBondContact O-NE2 3.26Å
185R76.8Confident72Confident170 Ų170116.2 Ų116.264%0.64265%0.645SS**Hα-helixtrans-79.7-32.1173.5-66.117964.1-142.1-2.5113.2E180 T181 E182 Y183E180-R185 HydrophobicContact CB-CG 4.16Å; E180-R185 WeakPolarHBondContact OE2-CG 3.48Å; T181-R185 PolarHBondContact O-N 2.71Å; E182-R185 PolarHBondContact O-N 2.94Å; Y183-R185 VanDerWaalsContact C-N 3.25Å; Y183-R185 PolarHBondContact O-N 3.45Å
186S80.1Confident71.5Confident81 Ų81115.7 Ų115.757%0.56665%0.65SS**Hα-helixtrans-96.8-20.4-171.2-50.60000114.7E182 Y183E182-S186 VanDerWaalsContact O-CB 3.26Å; E182-S186 WeakPolarHBondContact O-CB 3.45Å; E182-S186 PolarHBondContact O-N 3.39Å; E182-S186 PolarHBondContact O-OG 2.85Å; Y183-S186 PolarHBondContact O-N 3.31Å
187F70.4Confident70.9Confident94 Ų94119.5 Ų119.541%0.41265%0.649SS.*  trans-125.432.5-173.1-62.6-86.2000113Y183 G189 L190Y183-F187 HydrophobicContact CD2-CB 4.4Å; Y183-F187 AromaticContact CD2-CD2 3.3Å; Y183-F187 HydrophobicContact CD2-CD2 3.3Å; Y183-F187 AromaticContact CD2-CE2 3.79Å; Y183-F187 HydrophobicContact CD2-CE2 3.79Å; Y183-F187 HydrophobicContact CD2-CG 4.03Å; Y183-F187 HydrophobicContact CE1-CB 4.45Å; Y183-F187 HydrophobicContact CE2-CB 3.98Å; Y183-F187 HydrophobicContact CE2-CD1 4.4Å; Y183-F187 AromaticContact CE2-CD2 3.41Å; Y183-F187 HydrophobicContact CE2-CD2 3.41Å; Y183-F187 VanDerWaalsContact CE2-CD2 3.41Å; Y183-F187 AromaticContact CE2-CE2 3.98Å; Y183-F187 HydrophobicContact CE2-CE2 3.98Å; Y183-F187 AromaticContact CE2-CG 3.67Å; Y183-F187 HydrophobicContact CE2-CG 3.67Å; Y183-F187 HydrophobicContact CG-CD2 4.09Å; Y183-F187 PolarHBondContact O-N 2.84Å; F187-G189 PolarHBondContact O-N 3.08Å; F187-L190 HydrophobicContact CB-CB 4.35Å; F187-L190 HydrophobicContact CD1-CD1 3.89Å; F187-L190 PolarHBondContact O-N 3.43Å; F187-L190 VanDerWaalsContact O-N 3.12Å
188Q72.3Confident70.2Confident144 Ų144121.7 Ų121.767%0.67366%0.656SS**THydrogen-bonded Turntrans-58.8123.9175.3-63-168.7-1.200110.7R184 L190R184-Q188 WeakPolarHBondContact O-CG 3.45Å; R184-Q188 PolarHBondContact O-NE2 3.26Å; Q188-L190 VanDerWaalsContact C-N 3.26Å; Q188-L190 PolarHBondContact O-N 2.92Å
189G65.6Low69.2Low85 Ų85126.6 Ų126.688%0.87666%0.661SS**THydrogen-bonded Turntrans79-6.5-178.400000115.9F187F187-G189 PolarHBondContact O-N 3.08Å
190L68.6Low68.4Low111 Ų111128.3 Ų128.358%0.58166%0.658SS**PPolyproline II helixtrans-90.8117.4173.9-67.4176.9000110.1F187 Q188F187-L190 HydrophobicContact CB-CB 4.35Å; F187-L190 HydrophobicContact CD1-CD1 3.89Å; F187-L190 PolarHBondContact O-N 3.43Å; F187-L190 VanDerWaalsContact O-N 3.12Å; Q188-L190 VanDerWaalsContact C-N 3.26Å; Q188-L190 PolarHBondContact O-N 2.92Å
191V66.8Low67.1Low130 Ų130130.6 Ų130.679%0.78867%0.674SS**PPolyproline II helixtrans-55.7129.6168.7179.90000108
192P63.9Low65.7Low81 Ų81133.6 Ų133.653%0.52669%0.686SS.*PPolyproline II helixtrans-52127.9176.9-24.932000109.8Y183 S194Y183-P192 WeakPolarHBondContact OH-CA 3.26Å; Y183-P192 WeakPolarHBondContact OH-CB 3.47Å; Y183-P192 WeakPolarHBondContact OH-CG 3.48Å; P192-S194 PolarHBondContact O-N 3.14Å
193P61.1Low64.2Low116 Ų116129.4 Ų129.475%0.75369%0.685SS**  trans-56.9115.4-17422.4-33000108.6G195P193-G195 PolarHBondContact O-N 2.88Å
194S65.7Low62.5Low80 Ų80132.9 Ų132.956%0.55970%0.704SS**  trans-50.5112.4-166.2-172.10000109.5P192 R197P192-S194 PolarHBondContact O-N 3.14Å; S194-R197 PolarHBondContact OG-NE 2.94Å
195G67.9Low61.1Low54 Ų54129.3 Ų129.356%0.55771%0.705SS**  trans-50141.6-17200000110.6P193 R197P193-G195 PolarHBondContact O-N 2.88Å; G195-R197 PolarHBondContact O-N 2.73Å
196P59.9Low59.8Low131 Ų131127.4 Ų127.485%0.85171%0.712SS**  trans-52.498.8-157.719.7-33.6000111.6L198P196-L198 PolarHBondContact O-N 3.17Å
197R57.8Low58.1Low202 Ų202132 Ų13276%0.76272%0.722SS**  trans-60.1113.7-176.3-68.2-173.2-178.2-161.6-1.8107.5S194 G195 R199S194-R197 PolarHBondContact OG-NE 2.94Å; G195-R197 PolarHBondContact O-N 2.73Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R197-R199 PolarHBondContact O-N 3.14Å
198L56.1Low56.8Low163 Ų163136.3 Ų136.385%0.85374%0.743SS**  trans-58.495.6177.8-83163.6000109.2P196 R200P196-L198 PolarHBondContact O-N 3.17Å; L198-R200 PolarHBondContact O-N 2.87Å
199R49.9Very low55.4Low207 Ų207134.6 Ų134.678%0.78174%0.743SS**  trans-70.282166-59.8-161.690.5-154.67107.2R197 N201R197-R199 VanDerWaalsContact C-N 3.32Å; R197-R199 PolarHBondContact O-N 3.14Å; R199-N201 PolarHBondContact O-N 3.19Å
200R57.8Low54.1Low219 Ų219140.2 Ų140.283%0.82674%0.739SS**THydrogen-bonded Turntrans-42.4134156.3-59.5173.4-176.3158.6-0.9106.3L198L198-R200 PolarHBondContact O-N 2.87Å
201N53.2Low52.5Low163 Ų163146.7 Ų146.787%0.87276%0.755SS**THydrogen-bonded Turntrans83.835.3-177-40-15000116.9R199R199-N201 PolarHBondContact O-N 3.19Å
202L53.2Low51.1Low138 Ų138146.4 Ų146.472%0.72375%0.754SS**  trans-104.5129.6143.6-95.479.8000109.6
203G46.3Very low50.2Low69 Ų69149.8 Ų149.871%0.71176%0.763SS**  trans-68.7167-179.600000113.7
204H45Very low49.1Very low170 Ų170155.5 Ų155.579%0.78777%0.769SS**  trans-24.4136.8-176.1-49.1-77.2000117.2V206H204-V206 PolarHBondContact O-N 2.87Å; H204-V206 VanDerWaalsContact O-N 3.12Å
205P45.3Very low48.1Very low108 Ų108162.2 Ų162.270%0.70178%0.782SS**  trans-60.2119.2175.426.4-34000110.5F207P205-F207 PolarHBondContact O-N 3.1Å
206V49.4Very low46.8Very low130 Ų130168.5 Ų168.579%0.78879%0.794SS**  trans-67.9104.5-178.6178.90000109.6H204 H208H204-V206 PolarHBondContact O-N 2.87Å; H204-V206 VanDerWaalsContact O-N 3.12Å; V206-H208 PolarHBondContact O-N 2.94Å
207F44.7Very low45.8Very low176 Ų176166.2 Ų166.277%0.77278%0.781SS**  trans-59.8107.1172.7-69.2-86.1000109.9P205 T209P205-F207 PolarHBondContact O-N 3.1Å; F207-T209 VanDerWaalsContact C-N 3.26Å; F207-T209 PolarHBondContact O-N 2.77Å
208H41.7Very low45.2Very low185 Ų185164.8 Ų164.886%0.85679%0.788SS**  trans-78.777.7-179.5-145.677000110V206V206-H208 PolarHBondContact O-N 2.94Å
209T43.3Very low44.3Very low109 Ų109163.4 Ų163.467%0.66978%0.781SS**  trans-66.2141.4178.950.50000111.1F207 R211F207-T209 VanDerWaalsContact C-N 3.26Å; F207-T209 PolarHBondContact O-N 2.77Å; T209-R211 PolarHBondContact O-N 3.4Å
210Y37.8Very low43.9Very low202 Ų202158.4 Ų158.479%0.79278%0.784SS**  trans-66.7114-172.929.8-89.9000111.2T212Y210-T212 PolarHBondContact O-N 3.46Å
211R36.8Very low43.1Very low247 Ų247157.1 Ų157.193%0.93279%0.788SS**  trans-62.8100.6171.6-110.2-175.8167.2-155.5-2110.3T209 H213T209-R211 PolarHBondContact O-N 3.4Å; R211-H213 PolarHBondContact O-N 3.34Å
212T35.9Very low42.3Very low124 Ų124154.1 Ų154.176%0.76178%0.779SS**  trans-69.4111168.544.10000109.3Y210 R214Y210-T212 PolarHBondContact O-N 3.46Å; T212-R214 PolarHBondContact O-N 3.27Å; T212-R214 VanDerWaalsContact O-N 3.08Å
213H44.8Very low41.6Very low153 Ų153154.1 Ų154.171%0.70878%0.78SS**  trans-79.294.5-179.254.7-85.6000109.6R211 R215R211-H213 PolarHBondContact O-N 3.34Å; H213-R215 PolarHBondContact O-N 3.05Å
214R39.8Very low41Very low236 Ų236159.9 Ų159.989%0.89179%0.789SS**  trans-61.999.7173.8-170.2-177.8-170.3-159.22.3109.1T212 K216T212-R214 PolarHBondContact O-N 3.27Å; T212-R214 VanDerWaalsContact O-N 3.08Å; R214-K216 PolarHBondContact O-N 3.02Å
215R42.8Very low40.8Very low220 Ų220159.1 Ų159.183%0.8379%0.79SS**PPolyproline II helixtrans-55.9122168.4-66.1-173.9-176.1-171.91.5107.4H213H213-R215 PolarHBondContact O-N 3.05Å
216K42.5Very low40.5Very low187 Ų187160.1 Ų160.181%0.81380%0.796SS**PPolyproline II helixtrans-82.7139.5163.5-66.6-178177-176.60106.9R214R214-K216 PolarHBondContact O-N 3.02Å
217S37.6Very low39.8Very low83 Ų83159.3 Ų159.358%0.5879%0.791SS**PPolyproline II helixtrans-61.9141.1160.3-160.40000107.9D219S217-D219 WeakPolarHBondContact CB-OD1 3.33Å; S217-D219 WeakPolarHBondContact CB-OD2 3.46Å; S217-D219 PolarHBondContact OG-OD1 3.31Å
218L45.5Very low39.5Very low171 Ų171160.9 Ų160.990%0.89580%0.797SS**  trans-101.878.7160.2-74.6176.2000105.7A220L218-A220 PolarHBondContact O-N 3.24Å
219D36.9Very low39.3Very low134 Ų134160 Ų16072%0.71779%0.794SS**  trans-65.2125171.9-55.3-48.2000107.4S217 Q221S217-D219 WeakPolarHBondContact CB-OD1 3.33Å; S217-D219 WeakPolarHBondContact CB-OD2 3.46Å; S217-D219 PolarHBondContact OG-OD1 3.31Å; D219-Q221 PolarHBondContact O-N 3.32Å
220A42.2Very low38.6Very low102 Ų102164 Ų16484%0.84381%0.805SS**  trans-76.1121.9-171.100000110.8L218L218-A220 PolarHBondContact O-N 3.24Å
221Q40.9Very low38.3Very low193 Ų193161.3 Ų161.390%0.90281%0.81SS**  trans-124.1129155.1-77.9-171-50.600109.3D219D219-Q221 PolarHBondContact O-N 3.32Å
222S36.5Very low37.8Very low99 Ų99153.4 Ų153.469%0.69281%0.805SS**  trans-68.8157.2165.951.50000110.3
223N37.6Very low37.7Very low139 Ų139153 Ų15374%0.74381%0.807SS**  179.6122.1109.7-83.9-6.2000110.9
224E34.3Very low37.2Very low190 Ų190154.8 Ų154.889%0.88882%0.816SS**  trans54153.5142.5-49.7-142.9102.300122.5
225L40.2Very low36.8Very low154 Ų154151.1 Ų151.181%0.80681%0.813SS**  trans-81.7170.1172.1-65.4165.3000110.2
226P40.5Very low36.9Very low129 Ų129145.8 Ų145.884%0.83881%0.807SS**  -133.1157.1104.437.3-30.6000114.7
227V34.5Very low36.4Very low113 Ų113145 Ų14569%0.68581%0.81SS**  trans-81.6144.4174171.80000110.4
228K37.8Very low36.6Very low208 Ų208147.3 Ų147.390%0.90482%0.821SS**  trans-146138.7141.7-116.7-179.5-178.3-169.30111.6
229Q36.3Very low36.3Very low166 Ų166145.6 Ų145.678%0.77682%0.818SS**  trans-99.1160.4170.9-61.8168.1-20.200108.4
230E30.1Very low36.7Very low194 Ų194143.2 Ų143.291%0.90782%0.817SS**  -169.1170.4125.5-108.9163-147.400111.6
231T30.2Very low37.1Very low146 Ų146143.9 Ų143.990%0.89681%0.813SS**  trans-110.7149.4-16648.60000112.4
232G27.9Very low37.8Very low80 Ų80140.1 Ų140.183%0.82581%0.805SS**  trans-170.9112.1175.800000112.9
233S33.7Very low38.4Very low115 Ų115141.2 Ų141.280%0.80481%0.81SS**  trans-84.4164.5-170.1-55.70000114.9
234Q33.1Very low38.6Very low192 Ų192139 Ų13990%0.89781%0.811SS**  trans106.7123.7152.6-50.7-142.149.900119.1
235L32.2Very low39.3Very low158 Ų158138.5 Ų138.583%0.82781%0.809SS**  trans-117.8172.2158.9-86.3169.9000106.1
236P44Very low39.3Very low108 Ų108137.3 Ų137.370%0.70181%0.808SS**  cis-129.2163.8439.4-24.9000115
237L32.7Very low39.6Very low170 Ų170141.9 Ų141.989%0.8981%0.808SS**  trans-151.5151139.2-145.267.8000112.4T239L237-T239 PolarHBondContact O-N 3.2Å
238T40.9Very low40.1Very low132 Ų132147 Ų14781%0.8182%0.815SS**  trans-52.8123.9-175.1-61.10000114.6
239T39.5Very low40.3Very low135 Ų135148 Ų14883%0.82881%0.814SS**  trans-152.2145.6151-72.90000108.3L237L237-T239 PolarHBondContact O-N 3.2Å
240A45.4Very low40.9Very low85 Ų85148.3 Ų148.370%0.70281%0.814SS**PPolyproline II helixtrans-66.9149.5-16900000113.7
241P51.3Low41.7Very low116 Ų116150.2 Ų150.275%0.75381%0.813SS**PPolyproline II helixtrans-68.2144.9176.329.2-35.2000111.7
242P55.3Low42.5Very low113 Ų113149.6 Ų149.673%0.73480%0.804SS**PPolyproline II helixtrans-64151.5172.628.4-34.9000110.8A244P242-A244 PolarHBondContact O-N 2.91Å
243P48.7Very low44Very low122 Ų122151.6 Ų151.679%0.79280%0.803SS**PPolyproline II helixtrans-57.8131.7-176.423.6-34000111Q245P243-Q245 PolarHBondContact O-N 3.22Å
244A41.9Very low45.1Very low94 Ų94156.4 Ų156.478%0.77781%0.81SS**  trans-58.6106.3-171.500000111.4P242 V246P242-A244 PolarHBondContact O-N 2.91Å; A244-V246 PolarHBondContact O-N 3.35Å
245Q49.4Very low45.7Very low178 Ų178150.3 Ų150.383%0.83280%0.798SS**  trans-59.2111.2168.9-68-171.912.800107.9P243 R247P243-Q245 PolarHBondContact O-N 3.22Å; Q245-R247 VanDerWaalsContact C-N 3.27Å; Q245-R247 PolarHBondContact O-N 3.31Å
246V40Very low46.7Very low130 Ų130146.1 Ų146.179%0.78879%0.793SS**  trans-63.993.2176.2178.80000107.6A244 R248A244-V246 PolarHBondContact O-N 3.35Å; V246-R248 PolarHBondContact O-N 3.06Å
247R46.6Very low47.3Very low224 Ų224144 Ų14485%0.84579%0.791SS**  trans-62.887.3171-62.6-173.182.7-171.97.8106.9Q245 R249Q245-R247 VanDerWaalsContact C-N 3.27Å; Q245-R247 PolarHBondContact O-N 3.31Å; R247-R249 VanDerWaalsContact C-N 3.3Å; R247-R249 PolarHBondContact O-N 3.11Å
248R45.2Very low48.4Very low220 Ų220141.9 Ų141.983%0.8379%0.785SS**  trans-53.9100.1168.8-75.4-171.5178.3-127.31.2106V246 H250V246-R248 PolarHBondContact O-N 3.06Å; R248-H250 PolarHBondContact O-N 2.89Å
249R42.5Very low49.2Very low231 Ų231139 Ų13987%0.87277%0.767SS**  trans-57.3114.2-179.7-73-179.1175.6-107.25.1106.4R247 R251R247-R249 VanDerWaalsContact C-N 3.3Å; R247-R249 PolarHBondContact O-N 3.11Å; R249-R251 PolarHBondContact O-N 2.94Å
250H48.1Very low50.4Low171 Ų171137 Ų13779%0.79275%0.752SS**  trans-63.391.4167.7-85-107.5000106.7R248 N252R248-H250 PolarHBondContact O-N 2.89Å; H250-N252 PolarHBondContact O-N 2.71Å
251R47.3Very low51.8Low235 Ų235139.5 Ų139.589%0.88775%0.753SS**  trans-77.777.2-177.5-163.4179.3-164.3174.64.6106.8R249 P253R249-R251 PolarHBondContact O-N 2.94Å; R251-P253 VanDerWaalsContact O-CD 3.28Å; R251-P253 WeakPolarHBondContact O-CD 3.47Å; R251-P253 VanDerWaalsContact O-N 3.11Å
252N46.6Very low53.4Low132 Ų132139 Ų13971%0.70674%0.744SS**  trans-50.6116.1177-69.3-24.9000108.6H250 K254H250-N252 PolarHBondContact O-N 2.71Å; N252-K254 PolarHBondContact O-N 2.9Å
253P58.9Low54.8Low123 Ų123136 Ų13680%0.79972%0.723SS**  trans-75.778.3175.431.5-32.8000108.2R251 G255R251-P253 VanDerWaalsContact O-CD 3.28Å; R251-P253 WeakPolarHBondContact O-CD 3.47Å; R251-P253 VanDerWaalsContact O-N 3.11Å; P253-G255 PolarHBondContact O-N 3.07Å
254K57.1Low56.8Low216 Ų216135.3 Ų135.394%0.93971%0.71SS**  trans-82.668.6174.3-157.7173.6-173.9-178.60109.3N252N252-K254 PolarHBondContact O-N 2.9Å
255G46.3Very low59.2Low64 Ų64135.5 Ų135.566%0.6669%0.694SS**  trans-156.8121.2173.200000107.2P253P253-G255 PolarHBondContact O-N 3.07Å
256G53.3Low61.3Low69 Ų69130.4 Ų130.471%0.71168%0.675SS**  trans-124.5-178.1-170.900000113.3
257G57.1Low63.9Low64 Ų64128.4 Ų128.466%0.6666%0.656SS**SBendtrans94.1-9.5159.800000117.4
258T54.6Low66.2Low125 Ų125122.7 Ų122.777%0.76764%0.639SS**SBendtrans-135.5-6.417958.10000114.9
259T57.7Low68.7Low71 Ų71118.5 Ų118.544%0.43662%0.623SS.*SBendtrans-80-21.117745.30000113.4L262 T263T259-L262 CarbonylContact O-C 3.58Å; T259-L262 WeakPolarHBondContact O-CB 3.44Å; T259-L262 PolarHBondContact O-N 3.43Å; T259-L262 VanDerWaalsContact O-N 3.14Å; T259-T263 VanDerWaalsContact O-CG2 3.29Å; T259-T263 WeakPolarHBondContact O-CG2 3.36Å; T259-T263 PolarHBondContact O-N 3.18Å
260D66.2Low71.3Confident95 Ų95115.2 Ų115.251%0.50861%0.61SS.*Hα-helixtrans-72.4-41.4-157.8-59.8-26.9000111.9L262 T263 E264D260-L262 VanDerWaalsContact C-N 3.31Å; D260-L262 PolarHBondContact O-N 3.41Å; D260-T263 CarbonylContact O-C 3.54Å; D260-T263 WeakPolarHBondContact O-CA 3.42Å; D260-T263 PolarHBondContact O-N 3.12Å; D260-T263 PolarHBondContact O-OG1 3.17Å; D260-E264 PolarHBondContact O-N 3.12Å
261D73.4Confident73.5Confident136 Ų136113 Ų11373%0.72760%0.601SS**Hα-helixtrans-56.3-42.2170-62.4-37.5000112.5T263 E264 Q265D261-T263 VanDerWaalsContact C-N 3.34Å; D261-E264 PolarHBondContact O-N 2.96Å; D261-Q265 WeakPolarHBondContact O-CB 3.36Å; D261-Q265 PolarHBondContact O-N 2.96Å
262L84.5Confident75.8Confident107 Ų107107.5 Ų107.556%0.5659%0.585SS**Hα-helixtrans-67.8-35.6175.6-176.763.9000111T259 D260 V266T259-L262 CarbonylContact O-C 3.58Å; T259-L262 WeakPolarHBondContact O-CB 3.44Å; T259-L262 PolarHBondContact O-N 3.43Å; T259-L262 VanDerWaalsContact O-N 3.14Å; D260-L262 VanDerWaalsContact C-N 3.31Å; D260-L262 PolarHBondContact O-N 3.41Å; L262-V266 WeakPolarHBondContact O-CB 3.38Å; L262-V266 VanDerWaalsContact O-CG2 3.22Å; L262-V266 WeakPolarHBondContact O-CG2 3.46Å; L262-V266 PolarHBondContact O-N 3.08Å
263T85.3Confident78.2Confident49 Ų49103.7 Ų103.730%0.30157%0.572SS.*Hα-helixtrans-68.9-37.4173.678.90000112.3T259 D260 D261 V266 K267T259-T263 VanDerWaalsContact O-CG2 3.29Å; T259-T263 WeakPolarHBondContact O-CG2 3.36Å; T259-T263 PolarHBondContact O-N 3.18Å; D260-T263 CarbonylContact O-C 3.54Å; D260-T263 WeakPolarHBondContact O-CA 3.42Å; D260-T263 PolarHBondContact O-N 3.12Å; D260-T263 PolarHBondContact O-OG1 3.17Å; D261-T263 VanDerWaalsContact C-N 3.34Å; T263-V266 PolarHBondContact O-N 2.74Å; T263-K267 WeakPolarHBondContact O-CB 3.43Å; T263-K267 VanDerWaalsContact O-CD 3.28Å; T263-K267 WeakPolarHBondContact O-CD 3.36Å; T263-K267 WeakPolarHBondContact O-CG 3.49Å; T263-K267 PolarHBondContact O-N 3.37Å; T263-K267 PolarHBondContact OG1-NZ 3.34Å
264E90Very high79.7Confident108 Ų108102.5 Ų102.551%0.50556%0.556SS.*Hα-helixtrans-68-43.2175.4-68.1-51146.300111.5D260 D261 V266 K267 E268D260-E264 PolarHBondContact O-N 3.12Å; D261-E264 PolarHBondContact O-N 2.96Å; E264-V266 VanDerWaalsContact C-N 3.32Å; E264-V266 PolarHBondContact O-N 2.67Å; E264-K267 CarbonylContact O-C 3.6Å; E264-K267 WeakPolarHBondContact O-CB 3.29Å; E264-K267 PolarHBondContact O-N 3.39Å; E264-K267 VanDerWaalsContact O-N 3.14Å; E264-K267 WeakPolarHBondContact OE1-CD 3.44Å; E264-K267 IonicContact OE1-NZ 3.08Å; E264-K267 PolarHBondContact OE1-NZ 2.76Å; E264-K267 WeakPolarHBondContact OE2-CD 3.38Å; E264-K267 IonicContact OE2-NZ 3.49Å; E264-E268 WeakPolarHBondContact O-CB 3.36Å; E264-E268 PolarHBondContact O-N 2.9Å
265Q92.3Very high81.1Confident97 Ų9794.2 Ų94.245%0.45353%0.528SS..Hα-helixtrans-60.2-41.1171.1-169.2177.797.800111.6D261 K267 E268 R269D261-Q265 WeakPolarHBondContact O-CB 3.36Å; D261-Q265 PolarHBondContact O-N 2.96Å; Q265-K267 PolarHBondContact O-N 2.86Å; Q265-E268 PolarHBondContact O-N 2.93Å; Q265-R269 HydrophobicContact CG-CG 4.35Å; Q265-R269 WeakPolarHBondContact O-CB 3.49Å; Q265-R269 VanDerWaalsContact O-CG 3.22Å; Q265-R269 WeakPolarHBondContact O-CG 3.43Å; Q265-R269 PolarHBondContact O-N 3.08Å
266V93.6Very high83.3Confident71 Ų7199.4 Ų99.443%0.4353%0.528SS..Hα-helixtrans-68.2-32.9175.7168.50000112.3L262 T263 E264 R270L262-V266 WeakPolarHBondContact O-CB 3.38Å; L262-V266 VanDerWaalsContact O-CG2 3.22Å; L262-V266 WeakPolarHBondContact O-CG2 3.46Å; L262-V266 PolarHBondContact O-N 3.08Å; T263-V266 PolarHBondContact O-N 2.74Å; E264-V266 VanDerWaalsContact C-N 3.32Å; E264-V266 PolarHBondContact O-N 2.67Å; V266-R270 WeakPolarHBondContact O-CB 3.44Å; V266-R270 PolarHBondContact O-N 3.45Å; V266-R270 VanDerWaalsContact O-N 3.11Å
267K95.1Very high85Confident89 Ų89103.4 Ų103.439%0.38752%0.522SS..Hα-helixtrans-67.7-48.6172.3-72.3154.2-174.31560110.5T263 E264 Q265 R270 Q271T263-K267 WeakPolarHBondContact O-CB 3.43Å; T263-K267 VanDerWaalsContact O-CD 3.28Å; T263-K267 WeakPolarHBondContact O-CD 3.36Å; T263-K267 WeakPolarHBondContact O-CG 3.49Å; T263-K267 PolarHBondContact O-N 3.37Å; T263-K267 PolarHBondContact OG1-NZ 3.34Å; E264-K267 CarbonylContact O-C 3.6Å; E264-K267 WeakPolarHBondContact O-CB 3.29Å; E264-K267 PolarHBondContact O-N 3.39Å; E264-K267 VanDerWaalsContact O-N 3.14Å; E264-K267 WeakPolarHBondContact OE1-CD 3.44Å; E264-K267 IonicContact OE1-NZ 3.08Å; E264-K267 PolarHBondContact OE1-NZ 2.76Å; E264-K267 WeakPolarHBondContact OE2-CD 3.38Å; E264-K267 IonicContact OE2-NZ 3.49Å; Q265-K267 PolarHBondContact O-N 2.86Å; K267-R270 WeakPolarHBondContact O-CB 3.48Å; K267-R270 PolarHBondContact O-N 3.44Å; K267-Q271 WeakPolarHBondContact O-CG 3.18Å; K267-Q271 PolarHBondContact O-N 3Å
268E95.8Very high86.2Confident104 Ų104107.1 Ų107.149%0.48652%0.516SS..Hα-helixtrans-55.2-57.9176.2-176.4-145.9-157.400110.8E264 Q265 R270 Q271 Q272E264-E268 WeakPolarHBondContact O-CB 3.36Å; E264-E268 PolarHBondContact O-N 2.9Å; Q265-E268 PolarHBondContact O-N 2.93Å; E268-R270 PolarHBondContact O-N 3.29Å; E268-Q271 CarbonylContact O-C 3.58Å; E268-Q271 WeakPolarHBondContact O-CA 3.32Å; E268-Q271 WeakPolarHBondContact O-CB 3.4Å; E268-Q271 PolarHBondContact O-N 2.81Å; E268-Q272 WeakPolarHBondContact O-CB 3.46Å; E268-Q272 PolarHBondContact O-N 2.94Å
269R96.4Very high87.5Confident131 Ų131109.6 Ų109.649%0.49451%0.511SS..Hα-helixtrans-61-31.6179.5-60.6-62167.980.85.1112.3Q265 A273Q265-R269 HydrophobicContact CG-CG 4.35Å; Q265-R269 WeakPolarHBondContact O-CB 3.49Å; Q265-R269 VanDerWaalsContact O-CG 3.22Å; Q265-R269 WeakPolarHBondContact O-CG 3.43Å; Q265-R269 PolarHBondContact O-N 3.08Å; R269-A273 VanDerWaalsContact O-CB 3.27Å; R269-A273 WeakPolarHBondContact O-CB 3.42Å; R269-A273 PolarHBondContact O-N 3.22Å
270R96.8Very high88.5Confident162 Ų162109.5 Ų109.561%0.61152%0.518SS*.Hα-helixtrans-70-39.4173-174.5175.8-64.2-166.9-0.2112.3V266 K267 E268 Q274V266-R270 WeakPolarHBondContact O-CB 3.44Å; V266-R270 PolarHBondContact O-N 3.45Å; V266-R270 VanDerWaalsContact O-N 3.11Å; K267-R270 WeakPolarHBondContact O-CB 3.48Å; K267-R270 PolarHBondContact O-N 3.44Å; E268-R270 PolarHBondContact O-N 3.29Å; R270-Q274 VanDerWaalsContact O-CG 3.31Å; R270-Q274 WeakPolarHBondContact O-CG 3.47Å; R270-Q274 PolarHBondContact O-N 2.77Å
271Q95.9Very high88.9Confident126 Ų126114.1 Ų114.159%0.58953%0.528SS*.Hα-helixtrans-66.3-42.8172.6-69.8178.345.900111.4K267 E268 Q274 A275K267-Q271 WeakPolarHBondContact O-CG 3.18Å; K267-Q271 PolarHBondContact O-N 3Å; E268-Q271 CarbonylContact O-C 3.58Å; E268-Q271 WeakPolarHBondContact O-CA 3.32Å; E268-Q271 WeakPolarHBondContact O-CB 3.4Å; E268-Q271 PolarHBondContact O-N 2.81Å; Q271-Q274 CarbonylContact O-C 3.6Å; Q271-Q274 WeakPolarHBondContact O-CB 3.27Å; Q271-Q274 PolarHBondContact O-N 3.35Å; Q271-A275 WeakPolarHBondContact O-CB 3.32Å; Q271-A275 PolarHBondContact O-N 3.19Å
272Q95.9Very high88.8Confident118 Ų118109.9 Ų109.955%0.55152%0.517SS*.Hα-helixtrans-61.8-44.5176.1-166.2-175.633.500111.3E268 Q274 A275 Y276E268-Q272 WeakPolarHBondContact O-CB 3.46Å; E268-Q272 PolarHBondContact O-N 2.94Å; Q272-Q274 VanDerWaalsContact C-N 3.35Å; Q272-Q274 PolarHBondContact O-N 3.46Å; Q272-A275 PolarHBondContact O-N 2.98Å; Q272-Y276 WeakPolarHBondContact O-CB 3.47Å; Q272-Y276 PolarHBondContact O-N 2.86Å
273A95.1Very high88Confident53 Ų53109.8 Ų109.844%0.43852%0.521SS..Hα-helixtrans-64-36.4174.100000112.6R269 R277R269-A273 VanDerWaalsContact O-CB 3.27Å; R269-A273 WeakPolarHBondContact O-CB 3.42Å; R269-A273 PolarHBondContact O-N 3.22Å; A273-R277 WeakPolarHBondContact O-CB 3.22Å; A273-R277 WeakPolarHBondContact O-CG 3.46Å; A273-R277 PolarHBondContact O-N 3.12Å
274Q91.1Very high87.1Confident97 Ų97112 Ų11245%0.45353%0.531SS..Hα-helixtrans-67.4-39.3171.5-74.1177.39.200112.3R270 Q271 Q272 R277 R278R270-Q274 VanDerWaalsContact O-CG 3.31Å; R270-Q274 WeakPolarHBondContact O-CG 3.47Å; R270-Q274 PolarHBondContact O-N 2.77Å; Q271-Q274 CarbonylContact O-C 3.6Å; Q271-Q274 WeakPolarHBondContact O-CB 3.27Å; Q271-Q274 PolarHBondContact O-N 3.35Å; Q272-Q274 VanDerWaalsContact C-N 3.35Å; Q272-Q274 PolarHBondContact O-N 3.46Å; Q274-R277 PolarHBondContact O-N 3Å; Q274-R278 WeakPolarHBondContact O-CG 3.46Å; Q274-R278 PolarHBondContact O-N 3.26Å
275A87.7Confident86Confident43 Ų43112.6 Ų112.636%0.35553%0.532SS..Hα-helixtrans-65.6-42.2175.500000111.6Q271 Q272 R278 R279Q271-A275 WeakPolarHBondContact O-CB 3.32Å; Q271-A275 PolarHBondContact O-N 3.19Å; Q272-A275 PolarHBondContact O-N 2.98Å; A275-R278 PolarHBondContact O-N 3.47Å; A275-R279 WeakPolarHBondContact O-CB 3.31Å; A275-R279 PolarHBondContact O-N 3.35Å
276Y92.2Very high85.4Confident172 Ų172110.2 Ų110.268%0.67553%0.527SS*.Hα-helixtrans-61.4-43.5172.8-172.2-92.5000111.5Q272 R279 A280Q272-Y276 WeakPolarHBondContact O-CB 3.47Å; Q272-Y276 PolarHBondContact O-N 2.86Å; Y276-R279 PolarHBondContact O-N 3.21Å; Y276-A280 VanDerWaalsContact O-CB 3.29Å; Y276-A280 WeakPolarHBondContact O-CB 3.49Å; Y276-A280 PolarHBondContact O-N 3.48Å
277R88.4Confident85Confident154 Ų154116.6 Ų116.658%0.58154%0.543SS*.Hα-helixtrans-60-45.5172.9-78.1179.161.6162.10.1112.6A273 Q274 R279 A280 W281A273-R277 WeakPolarHBondContact O-CB 3.22Å; A273-R277 WeakPolarHBondContact O-CG 3.46Å; A273-R277 PolarHBondContact O-N 3.12Å; Q274-R277 PolarHBondContact O-N 3Å; R277-R279 VanDerWaalsContact C-N 3.35Å; R277-R279 PolarHBondContact O-N 3.49Å; R277-A280 PolarHBondContact O-N 3.16Å; R277-W281 WeakPolarHBondContact O-CB 3.14Å; R277-W281 VanDerWaalsContact O-CG 3.27Å; R277-W281 PolarHBondContact O-N 3.39Å
278R82.5Confident84.5Confident141 Ų141117.3 Ų117.353%0.53255%0.551SS.*Hα-helixtrans-60-44.3174.9-72.4-173.2-62.9-98.84.3111.5Q274 A275 W281Q274-R278 WeakPolarHBondContact O-CG 3.46Å; Q274-R278 PolarHBondContact O-N 3.26Å; A275-R278 PolarHBondContact O-N 3.47Å; R278-W281 PolarHBondContact O-N 3.1Å
279R81.6Confident84.1Confident177 Ų177115.6 Ų115.667%0.66854%0.543SS*.Hα-helixtrans-62.4-45.5177.4-178.4175.4-73.9-179.8-3.8112.2A275 Y276 R277 W281 G282 N284A275-R279 WeakPolarHBondContact O-CB 3.31Å; A275-R279 PolarHBondContact O-N 3.35Å; Y276-R279 PolarHBondContact O-N 3.21Å; R277-R279 VanDerWaalsContact C-N 3.35Å; R277-R279 PolarHBondContact O-N 3.49Å; R279-W281 VanDerWaalsContact C-N 3.29Å; R279-W281 PolarHBondContact O-N 2.78Å; R279-G282 PolarHBondContact O-N 3.28Å; R279-N284 WeakPolarHBondContact CA-OD1 3.4Å; R279-N284 PolarHBondContact O-ND2 3.1Å
280A77.7Confident83.7Confident69 Ų69112.5 Ų112.557%0.5754%0.536SS*.Hα-helixtrans-70.7-21.2178.200000113.5Y276 R277 G282Y276-A280 VanDerWaalsContact O-CB 3.29Å; Y276-A280 WeakPolarHBondContact O-CB 3.49Å; Y276-A280 PolarHBondContact O-N 3.48Å; R277-A280 PolarHBondContact O-N 3.16Å; A280-G282 PolarHBondContact O-N 2.78Å
281W76.4Confident83.4Confident192 Ų192108.7 Ų108.773%0.72753%0.534SS*.THydrogen-bonded Turntrans-78.76.7171.1-76.521.9000113.1R277 R278 R279 T283R277-W281 WeakPolarHBondContact O-CB 3.14Å; R277-W281 VanDerWaalsContact O-CG 3.27Å; R277-W281 PolarHBondContact O-N 3.39Å; R278-W281 PolarHBondContact O-N 3.1Å; R279-W281 VanDerWaalsContact C-N 3.29Å; R279-W281 PolarHBondContact O-N 2.78Å; W281-T283 PolarHBondContact O-N 2.95Å; W281-T283 VanDerWaalsContact O-N 3.1Å
282G71.1Confident83Confident48 Ų48108.4 Ų108.450%0.49553%0.532SS..THydrogen-bonded Turntrans76.1-7.1168.800000116R279 A280 N284R279-G282 PolarHBondContact O-N 3.28Å; A280-G282 PolarHBondContact O-N 2.78Å; G282-N284 PolarHBondContact O-N 3.37Å
283T67.4Low82.7Confident105 Ų105107 Ų10764%0.64453%0.529SS*.THydrogen-bonded Turntrans-74.822.2-173.473.60000114.6W281 F285W281-T283 PolarHBondContact O-N 2.95Å; W281-T283 VanDerWaalsContact O-N 3.1Å; T283-F285 VanDerWaalsContact C-N 3.27Å
284N65.1Low82.2Confident96 Ų96110.9 Ų110.951%0.51354%0.541SS..THydrogen-bonded Turntrans-79.2-15.8175.7-42.2-75.8000111.7R279 G282 S286R279-N284 WeakPolarHBondContact CA-OD1 3.4Å; R279-N284 PolarHBondContact O-ND2 3.1Å; G282-N284 PolarHBondContact O-N 3.37Å; N284-S286 PolarHBondContact O-N 3.29Å; N284-S286 VanDerWaalsContact O-N 3.08Å
285F68.9Low82.1Confident119 Ų119108.2 Ų108.252%0.52253%0.533SS..  trans-7688.2174.3-134.7-83.7000109.5T283 H289 L290 L293T283-F285 VanDerWaalsContact C-N 3.27Å; F285-H289 AromaticContact CD2-CD2 3.82Å; F285-H289 AromaticContact CE2-CD2 3.88Å; F285-L290 HydrophobicContact CD1-CB 4.19Å; F285-L290 HydrophobicContact CE1-CB 3.88Å; F285-L290 HydrophobicContact CE1-CD1 3.96Å; F285-L293 HydrophobicContact CE1-CD1 4.04Å; F285-L293 HydrophobicContact CE2-CD1 3.94Å; F285-L293 HydrophobicContact CZ-CD1 3.32Å
286S79.6Confident82Confident48 Ų48114.7 Ų114.734%0.33656%0.556SS.*  trans-71.9163.9173.483.60000111N284 D288 H289 L290N284-S286 PolarHBondContact O-N 3.29Å; N284-S286 VanDerWaalsContact O-N 3.08Å; S286-D288 WeakPolarHBondContact CB-OD2 3.48Å; S286-D288 PolarHBondContact O-N 2.93Å; S286-D288 WeakPolarHBondContact OG-CB 3.22Å; S286-D288 PolarHBondContact OG-N 2.88Å; S286-D288 PolarHBondContact OG-OD2 3.49Å; S286-H289 PolarHBondContact O-N 3.39Å; S286-H289 PolarHBondContact OG-N 2.9Å; S286-L290 PolarHBondContact O-N 2.83Å
287R84.1Confident81.5Confident204 Ų204113.1 Ų113.177%0.7756%0.555SS**Hα-helixtrans-57.7-33.7171.2-176.664.1176.4-162.61.5111.1S291R287-S291 PolarHBondContact O-N 3.28Å
288D85.1Confident81.2Confident105 Ų105108.3 Ų108.356%0.56154%0.54SS*.Hα-helixtrans-73.9-37.4179.2-24.6-75.8000111S286 S291 Q292S286-D288 WeakPolarHBondContact CB-OD2 3.48Å; S286-D288 PolarHBondContact O-N 2.93Å; S286-D288 WeakPolarHBondContact OG-CB 3.22Å; S286-D288 PolarHBondContact OG-N 2.88Å; S286-D288 PolarHBondContact OG-OD2 3.49Å; D288-S291 CarbonylContact O-C 3.43Å; D288-S291 WeakPolarHBondContact O-CA 3.35Å; D288-S291 WeakPolarHBondContact O-CB 3.48Å; D288-S291 PolarHBondContact O-N 3.04Å; D288-S291 VanDerWaalsContact O-N 3.1Å; D288-Q292 WeakPolarHBondContact O-CG 3.35Å; D288-Q292 PolarHBondContact O-N 2.82Å
289H87.3Confident80.9Confident68 Ų68105.4 Ų105.432%0.31555%0.546SS..Hα-helixtrans-67-38.2173.5-170.951.5000112.2F285 S286 S291 Q292 L293F285-H289 AromaticContact CD2-CD2 3.82Å; F285-H289 AromaticContact CE2-CD2 3.88Å; S286-H289 PolarHBondContact O-N 3.39Å; S286-H289 PolarHBondContact OG-N 2.9Å; H289-S291 VanDerWaalsContact C-N 3.3Å; H289-S291 PolarHBondContact O-N 3.29Å; H289-Q292 PolarHBondContact ND1-OE1 3.27Å; H289-Q292 VanDerWaalsContact ND1-OE1 3.12Å; H289-Q292 WeakPolarHBondContact O-CB 3.34Å; H289-Q292 PolarHBondContact O-N 3.08Å; H289-L293 WeakPolarHBondContact O-CG 3.48Å; H289-L293 PolarHBondContact O-N 3.18Å
290L88.4Confident80.6Confident66 Ų66104.3 Ų104.335%0.34655%0.553SS.*Hα-helixtrans-61.1-40167.5-179.764000111.4F285 S286 Q292 L293 L294F285-L290 HydrophobicContact CD1-CB 4.19Å; F285-L290 HydrophobicContact CE1-CB 3.88Å; F285-L290 HydrophobicContact CE1-CD1 3.96Å; S286-L290 PolarHBondContact O-N 2.83Å; L290-Q292 VanDerWaalsContact C-N 3.32Å; L290-Q292 PolarHBondContact O-N 2.99Å; L290-L293 PolarHBondContact O-N 2.74Å; L290-L294 HydrophobicContact CD1-CD1 3.82Å; L290-L294 HydrophobicContact CD1-CG 4.08Å; L290-L294 HydrophobicContact CG-CD1 3.94Å; L290-L294 HydrophobicContact CG-CG 4.46Å; L290-L294 WeakPolarHBondContact O-CB 3.29Å; L290-L294 WeakPolarHBondContact O-CG 3.28Å; L290-L294 PolarHBondContact O-N 2.95Å
291S89Confident80.5Confident81 Ų81111.1 Ų111.157%0.56656%0.564SS**Hα-helixtrans-70.6-24.4176.4-163.20000113.9R287 D288 H289 S295R287-S291 PolarHBondContact O-N 3.28Å; D288-S291 CarbonylContact O-C 3.43Å; D288-S291 WeakPolarHBondContact O-CA 3.35Å; D288-S291 WeakPolarHBondContact O-CB 3.48Å; D288-S291 PolarHBondContact O-N 3.04Å; D288-S291 VanDerWaalsContact O-N 3.1Å; H289-S291 VanDerWaalsContact C-N 3.3Å; H289-S291 PolarHBondContact O-N 3.29Å; S291-S295 PolarHBondContact O-N 2.99Å
292Q89Confident80.6Confident120 Ų120109.1 Ų109.156%0.56156%0.563SS**Hα-helixtrans-72.3-45.4170.4-73.4164.2-7.800110.2D288 H289 L290 S295 N298D288-Q292 WeakPolarHBondContact O-CG 3.35Å; D288-Q292 PolarHBondContact O-N 2.82Å; H289-Q292 PolarHBondContact ND1-OE1 3.27Å; H289-Q292 VanDerWaalsContact ND1-OE1 3.12Å; H289-Q292 WeakPolarHBondContact O-CB 3.34Å; H289-Q292 PolarHBondContact O-N 3.08Å; L290-Q292 VanDerWaalsContact C-N 3.32Å; L290-Q292 PolarHBondContact O-N 2.99Å; Q292-S295 WeakPolarHBondContact O-CB 3.44Å; Q292-S295 PolarHBondContact O-N 3.2Å; Q292-N298 PolarHBondContact O-ND2 3.21Å
293L88.8Confident80.5Confident90 Ų90111.7 Ų111.747%0.47157%0.571SS.*Hα-helixtrans-70.4-31.2179.5-71.6166.7000113.1F285 H289 L290 S295 N298F285-L293 HydrophobicContact CE1-CD1 4.04Å; F285-L293 HydrophobicContact CE2-CD1 3.94Å; F285-L293 HydrophobicContact CZ-CD1 3.32Å; H289-L293 WeakPolarHBondContact O-CG 3.48Å; H289-L293 PolarHBondContact O-N 3.18Å; L290-L293 PolarHBondContact O-N 2.74Å; L293-S295 VanDerWaalsContact C-N 3.32Å; L293-N298 VanDerWaalsContact C-ND2 3.27Å; L293-N298 WeakPolarHBondContact CA-ND2 3.41Å; L293-N298 PolarHBondContact O-ND2 3.02Å
294L84.6Confident80.2Confident134 Ų134110.5 Ų110.570%0.70257%0.572SS**THydrogen-bonded Turntrans-90.714.1171.8-61.2178.6000113.4L290L290-L294 HydrophobicContact CD1-CD1 3.82Å; L290-L294 HydrophobicContact CD1-CG 4.08Å; L290-L294 HydrophobicContact CG-CD1 3.94Å; L290-L294 HydrophobicContact CG-CG 4.46Å; L290-L294 WeakPolarHBondContact O-CB 3.29Å; L290-L294 WeakPolarHBondContact O-CG 3.28Å; L290-L294 PolarHBondContact O-N 2.95Å
295S89.2Confident79.6Confident40 Ų40112.9 Ų112.928%0.2859%0.585SS.*  trans-71.6135.9177.4-170.20000110.8S291 Q292 L293 H297 N298S291-S295 PolarHBondContact O-N 2.99Å; Q292-S295 WeakPolarHBondContact O-CB 3.44Å; Q292-S295 PolarHBondContact O-N 3.2Å; L293-S295 VanDerWaalsContact C-N 3.32Å; S295-H297 PolarHBondContact O-N 2.89Å; S295-H297 VanDerWaalsContact O-N 3.08Å; S295-H297 PolarHBondContact OG-CD2 2.82Å; S295-N298 WeakPolarHBondContact O-CB 3.15Å; S295-N298 PolarHBondContact O-N 3.19Å
296E85.3Confident78.8Confident180 Ų180112 Ų11284%0.84159%0.593SS**G310 helixtrans-56.5-26.2176.5-61.1179.9169.100112.4N298 A299E296-N298 PolarHBondContact O-N 3.46Å; E296-A299 WeakPolarHBondContact O-CB 3.43Å; E296-A299 PolarHBondContact O-N 2.8Å
297H82.1Confident77.6Confident139 Ų139118.5 Ų118.564%0.64462%0.618SS**G310 helixtrans-64.4-18.2174.7-61-56.3000114.2S295 A299 L300S295-H297 PolarHBondContact O-N 2.89Å; S295-H297 VanDerWaalsContact O-N 3.08Å; S295-H297 PolarHBondContact OG-CD2 2.82Å; H297-A299 PolarHBondContact O-N 2.83Å; H297-L300 PolarHBondContact O-N 3.12Å
298N82.2Confident75.6Confident53 Ų53113.8 Ų113.828%0.28362%0.616SS.*G310 helixtrans-74.6-13.4176.1-63.8-9.7000112.9Q292 L293 S295 E296 L300 W301 E302Q292-N298 PolarHBondContact O-ND2 3.21Å; L293-N298 VanDerWaalsContact C-ND2 3.27Å; L293-N298 WeakPolarHBondContact CA-ND2 3.41Å; L293-N298 PolarHBondContact O-ND2 3.02Å; S295-N298 WeakPolarHBondContact O-CB 3.15Å; S295-N298 PolarHBondContact O-N 3.19Å; E296-N298 PolarHBondContact O-N 3.46Å; N298-L300 PolarHBondContact O-N 3.01Å; N298-W301 WeakPolarHBondContact O-CB 3.17Å; N298-W301 PolarHBondContact O-N 3.01Å; N298-E302 PolarHBondContact O-N 3.25Å
299A76.2Confident73.4Confident80 Ų80116 Ų11666%0.66163%0.628SS**G310 helixtrans-62.5-11.9172.100000113.5E296 H297E296-A299 WeakPolarHBondContact O-CB 3.43Å; E296-A299 PolarHBondContact O-N 2.8Å; H297-A299 PolarHBondContact O-N 2.83Å
300L75Confident71.5Confident154 Ų154118.8 Ų118.881%0.80665%0.652SS**G310 helixtrans-92.5-4.6172.5-59.2176.2000113.6H297 N298H297-L300 PolarHBondContact O-N 3.12Å; N298-L300 PolarHBondContact O-N 3.01Å
301W74.8Confident69.4Low212 Ų212120.9 Ų120.980%0.80367%0.672SS**THydrogen-bonded Turntrans-105.6-24-177.7-69.177.4000113.1N298N298-W301 WeakPolarHBondContact O-CB 3.17Å; N298-W301 PolarHBondContact O-N 3.01Å
302E79.1Confident67.1Low149 Ų149123.1 Ų123.170%0.69668%0.683SS**SBendtrans-66.8127161.8-64.9-59.6154.100108.9N298 A304N298-E302 PolarHBondContact O-N 3.25Å; E302-A304 PolarHBondContact O-N 3.11Å; E302-A304 VanDerWaalsContact O-N 3.14Å
303P69Low65Low102 Ų102123 Ų12366%0.66269%0.692SS**  trans-59.5119.2169.5-20.833000109.1D305P303-D305 VanDerWaalsContact C-N 3.31Å; P303-D305 PolarHBondContact O-N 3Å
304A60.8Low62.8Low81 Ų81126.4 Ų126.467%0.66971%0.71SS**  trans-68.493.8169.100000108.3E302 S306E302-A304 PolarHBondContact O-N 3.11Å; E302-A304 VanDerWaalsContact O-N 3.14Å; A304-S306 WeakPolarHBondContact O-CB 3.46Å; A304-S306 PolarHBondContact O-N 2.92Å; A304-S306 PolarHBondContact O-OG 3.21Å
305D53.1Low60.8Low146 Ų146125.7 Ų125.778%0.78171%0.714SS**  trans-60.781.4174.8-89.6-22.8000109.7P303 H307P303-D305 VanDerWaalsContact C-N 3.31Å; P303-D305 PolarHBondContact O-N 3Å; D305-H307 PolarHBondContact O-N 2.87Å
306S52.4Low58.5Low101 Ų101130.5 Ų130.571%0.70674%0.736SS**  trans-83.356.7-166.2-62.10000111.2A304A304-S306 WeakPolarHBondContact O-CB 3.46Å; A304-S306 PolarHBondContact O-N 2.92Å; A304-S306 PolarHBondContact O-OG 3.21Å
307H53Low56.7Low184 Ų184133.7 Ų133.785%0.85274%0.741SS**  trans-107.356.9177.4-78.3-59.9000111.4D305D305-H307 PolarHBondContact O-N 2.87Å
308S43.2Very low54.5Low105 Ų105133.3 Ų133.373%0.73474%0.743SS**SBendtrans-150.1132.3164.561.30000110.4
309D37.8Very low52.9Low150 Ų150139 Ų13980%0.80277%0.773SS**  trans-65.3149.7-166.1-62.2-88.4000115.9S311D309-S311 PolarHBondContact O-N 3.35Å
310P48.8Very low51.2Low127 Ų127140.1 Ų140.183%0.82578%0.776SS**SBendtrans-79.972.6-17733.9-37.2000112.6
311S43.3Very low49.6Very low111 Ų111138.5 Ų138.578%0.77678%0.775SS**  trans-153.745.6173.8-80.30000116.2D309D309-S311 PolarHBondContact O-N 3.35Å
312T41.9Very low47.5Very low127 Ų127136.1 Ų136.178%0.77977%0.772SS**  trans-140.1120.1159.3-50.90000110.7
313P44.3Very low45.9Very low118 Ų118134.5 Ų134.577%0.76678%0.775SS**PPolyproline II helixtrans-71.9131.4169.629.8-32.4000110.1
314L41.8Very low44.3Very low162 Ų162133.8 Ų133.885%0.84877%0.765SS**PPolyproline II helixtrans-64127.2177-70.2163.3000110.5
315P43.6Very low43.2Very low119 Ų119135.7 Ų135.777%0.77377%0.774SS**PPolyproline II helixtrans-69138.4165.929.5-32.6000109.5
316N40.2Very low42.7Very low140 Ų140138.1 Ų138.175%0.74977%0.772SS**PPolyproline II helixtrans-60.1142.1-177.6-70.6-36.2000112D318N316-D318 WeakPolarHBondContact CB-OD2 3.43Å; N316-D318 PolarHBondContact O-N 3.38Å
317R48Very low41.8Very low248 Ų248145 Ų14594%0.93678%0.782SS**  trans-80.756.6172.2-162.2174.976.4176.42.7111.1
318D37.1Very low40.9Very low131 Ų131140.9 Ų140.970%0.70178%0.78SS**  trans-75.3137.2176.7-89.5-53.4000111.8N316 S320N316-D318 WeakPolarHBondContact CB-OD2 3.43Å; N316-D318 PolarHBondContact O-N 3.38Å; D318-S320 PolarHBondContact O-N 2.9Å
319L47.6Very low40.5Very low172 Ų172141.3 Ų141.390%0.90178%0.783SS**  trans-91.590.4179.8-69.7170.4000110.1
320S39.6Very low40.3Very low103 Ų103139.2 Ų139.272%0.7278%0.779SS**  trans-145.9101.7170-168.50000113.2D318D318-S320 PolarHBondContact O-N 2.9Å
321P41.3Very low39.6Very low121 Ų121138.6 Ų138.679%0.78677%0.773SS**  trans-93.3101.8160.533-25.3000109.7P323P321-P323 WeakPolarHBondContact O-CD 3.4Å
322E30.9Very low39.4Very low161 Ų161140.7 Ų140.775%0.75277%0.77SS**  trans-100.8111.2161.3-170.3-167.5-169.900109.5
323P46.6Very low39.6Very low115 Ų115139.5 Ų139.575%0.74777%0.774SS**  trans-112.568.8-178.939.1-29.4000111.9P321 S325P321-P323 WeakPolarHBondContact O-CD 3.4Å; P323-S325 PolarHBondContact O-N 3.43Å
324D34.3Very low39.3Very low87 Ų87141 Ų14147%0.46577%0.774SS.*  trans-91.178.6-177.2-140.435.4000114.4R326D324-R326 VanDerWaalsContact CG-NH2 3.3Å; D324-R326 WeakPolarHBondContact OD1-CG 3.47Å; D324-R326 IonicContact OD1-CZ 2.85Å; D324-R326 VanDerWaalsContact OD1-CZ 3.23Å; D324-R326 IonicContact OD1-NE 3.4Å; D324-R326 PolarHBondContact OD1-NE 2.77Å; D324-R326 IonicContact OD1-NH2 2.77Å; D324-R326 PolarHBondContact OD1-NH2 3.14Å; D324-R326 VanDerWaalsContact OD1-NH2 3.08Å; D324-R326 IonicContact OD2-CZ 3.95Å; D324-R326 IonicContact OD2-NE 3.23Å; D324-R326 PolarHBondContact OD2-NE 3.49Å; D324-R326 IonicContact OD2-NH2 3.55Å; D324-R326 PolarHBondContact OD2-NH2 2.8Å
325S39.3Very low39.2Very low122 Ų122139.9 Ų139.985%0.85377%0.769SS**  trans-146.188.2159.3-82.70000109.4P323P323-S325 PolarHBondContact O-N 3.43Å
326R41Very low39.1Very low197 Ų197142 Ų14274%0.74377%0.774SS**  trans-85121.4-162.2-50173.2-159.1-163.82.2112.3D324D324-R326 VanDerWaalsContact CG-NH2 3.3Å; D324-R326 WeakPolarHBondContact OD1-CG 3.47Å; D324-R326 IonicContact OD1-CZ 2.85Å; D324-R326 VanDerWaalsContact OD1-CZ 3.23Å; D324-R326 IonicContact OD1-NE 3.4Å; D324-R326 PolarHBondContact OD1-NE 2.77Å; D324-R326 IonicContact OD1-NH2 2.77Å; D324-R326 PolarHBondContact OD1-NH2 3.14Å; D324-R326 VanDerWaalsContact OD1-NH2 3.08Å; D324-R326 IonicContact OD2-CZ 3.95Å; D324-R326 IonicContact OD2-NE 3.23Å; D324-R326 PolarHBondContact OD2-NE 3.49Å; D324-R326 IonicContact OD2-NH2 3.55Å; D324-R326 PolarHBondContact OD2-NH2 2.8Å
327R33.8Very low38.7Very low245 Ų245139 Ų13993%0.92577%0.768SS**  trans-172.6118.2131.2-109.1165.9173.3167.9-2.1113.7
328A35Very low38.1Very low98 Ų98132 Ų13281%0.8176%0.757SS**  trans44134.914700000120.7
329S35.5Very low37.8Very low113 Ų113133.4 Ų133.479%0.7976%0.761SS**  cis-160.1159.6-1.453.10000112.6
330C32.8Very low37.1Very low107 Ų107130 Ų13072%0.72375%0.752SS**  trans-65174.7158.846.40000111.6
331V34.3Very low36.9Very low114 Ų114131 Ų13169%0.69176%0.759SS**  cis-149.1172.122.5-143.60000112.1
332E37.9Very low36.6Very low154 Ų154136.3 Ų136.372%0.7276%0.763SS**  trans65.6112.8148.5-86.9164.2131.500120.8
333A45.9Very low36.8Very low103 Ų103140.2 Ų140.285%0.85177%0.771SS**  trans-88.1116149.800000109.1
334L38.8Very low36.3Very low149 Ų149139.7 Ų139.778%0.7877%0.77SS**  trans-133.4141162.2-85.1179.7000111.7
335D40.6Very low36.3Very low139 Ų139140.5 Ų140.574%0.74378%0.782SS**  trans-36.6136.4166.3173.730.8000114.9
336L39.8Very low36.1Very low164 Ų164141.2 Ų141.286%0.85978%0.781SS**  trans-158.9121.6136-110.8173.2000111.6
337A32.3Very low35.7Very low76 Ų76136.9 Ų136.963%0.62878%0.781SS**  trans-80161.7165.300000112
338S34.9Very low35.5Very low102 Ų102129.2 Ų129.271%0.71378%0.779SS**  trans72.7128.2178.4-143.80000113.4
339M32.5Very low35.2Very low160 Ų160128 Ų12879%0.78878%0.776SS**  cis-144162.548.5-81.6-105.253.700114.4
340S32.2Very low35.1Very low100 Ų100133 Ų13370%0.69978%0.783SS**  trans-63142.8170.956.20000114.3
341S35.4Very low35.3Very low124 Ų124134.5 Ų134.587%0.86779%0.789SS**  trans-144.5162.8142.7-161.40000112.1
342R35.6Very low35.5Very low233 Ų233137.6 Ų137.688%0.87980%0.796SS**  trans-102.8127.4-156.4-63.4168.5172.3175.2-4.1113.6
343R35.2Very low35.3Very low243 Ų243141.2 Ų141.292%0.91780%0.803SS**  45.588.6122.7-166.6-170-167.8-97.86.3119
344S35.5Very low34.7Very low104 Ų104141.7 Ų141.773%0.72780%0.801SS**  trans-159.5133.8141.845.70000108
345S35Very low34.5Very low103 Ų103139.5 Ų139.572%0.7280%0.804SS**  cis85.4136.733.379.10000114.6
346V33.4Very low34Very low138 Ų138136.6 Ų136.684%0.83681%0.806SS**  trans73.6143.5178.6179.50000114
347S32.5Very low33.9Very low105 Ų105138.8 Ų138.873%0.73480%0.803SS**  163.2129.7-50.157.60000108.6
348G30Very low33.8Very low85 Ų85141.7 Ų141.788%0.87680%0.804SS**  trans82.3156.318000000114.6
349G30Very low33.6Very low73 Ų73142.8 Ų142.875%0.75381%0.806SS**  cis167164.4-900000114.5
350K32.4Very low35Very low217 Ų217140.7 Ų140.794%0.94381%0.805SS**  trans72.7119.5168.5-66.3-176.8175.1178.70120
351T36.8Very low35.8Very low139 Ų139142 Ų14285%0.85381%0.811SS**  trans-89.4141.1160.9-51.10000111.4
352Q38.6Very low35.6Very low178 Ų178139.5 Ų139.583%0.83281%0.805SS**  trans-157.4155.6147.3-70.5-156.5-35.400107.4
353R33.5Very low36Very low231 Ų231135.1 Ų135.187%0.87281%0.806SS**  cis-133.6178.618.5-63.2163-99.2-158-6.3108.3
354S34.8Very low35.7Very low113 Ų113127.2 Ų127.279%0.7980%0.801SS**  cis-156.7156.317.948.70000112.5
355A33.2Very low35.7Very low103 Ų103127.4 Ų127.485%0.85181%0.809SS**  trans-78.8174156.700000110.1
356G30.1Very low35.6Very low77 Ų77131 Ų13179%0.79481%0.814SS**  cis-162-157.5-200000107.4
357R37.6Very low36.2Very low211 Ų211135.9 Ų135.980%0.79682%0.817SS**  cis-160159-4.3-177.3-173.1180-109.85.5107.4
358E31.2Very low36.2Very low137 Ų137139.2 Ų139.264%0.6482%0.821SS**  trans152.7149.2138.3-74.7-50.997.100110.3
359T30.7Very low36.6Very low124 Ų124141.3 Ų141.376%0.76182%0.822SS**  trans-171.2171.8-168.3-400000105.8
360P61Low36.5Very low116 Ų116142.3 Ų142.375%0.75382%0.823SS**  cis-110.9-157.5-7.12.226.6000112.6
361P48.6Very low36.5Very low128 Ų128144.6 Ų144.683%0.83183%0.826SS**  cis-129.2172.77.838.1-18.3000118
362G31.1Very low36.3Very low72 Ų72142.1 Ų142.174%0.74282%0.82SS**  trans-98.1-145.3174.400000113.5
363P45.3Very low36.4Very low140 Ų140142.6 Ų142.691%0.90982%0.822SS**  cis-128.7176.213.642.6-28000115.8
364G27.5Very low36.8Very low78 Ų78140.3 Ų140.380%0.80482%0.821SS**  trans-175.4134169.200000112.3
365A36.2Very low37.1Very low108 Ų108144.3 Ų144.389%0.89383%0.827SS**  trans-89.9141.8-16500000115.6
366E33.8Very low37.4Very low178 Ų178148.5 Ų148.583%0.83283%0.83SS**  trans-108.7164.2163.9-72.1-167.5128.200111.8
367R44.8Very low37.9Very low240 Ų240153.8 Ų153.891%0.90683%0.833SS**  trans-116114.3-179.5-62.8-179.8-175.1127.6-2111.2
368H33.6Very low37.8Very low176 Ų176149.6 Ų149.682%0.81583%0.832SS**  trans-143.1109.6165.4-81.3-73.8000112.5
369S38.6Very low38.7Very low128 Ų128151.4 Ų151.490%0.89584%0.84SS**  trans-153.7140.3164.8-55.40000107.3
370A26.8Very low39.8Very low94 Ų94154 Ų15478%0.77784%0.844SS**  cis-153159.6-2000000107.4
371W32.4Very low39.1Very low266 Ų266155.2 Ų155.2100%1.00884%0.839SS**  trans-102.3127.3169.3-88.371.4000109.4
372A32.4Very low39.4Very low87 Ų87158.9 Ų158.972%0.71985%0.845SS**  trans-164.2105164.600000109.5
373E42.2Very low40.8Very low187 Ų187158.9 Ų158.987%0.87485%0.846SS**  trans57.6159.4143.2-58.4175.4-162.400118.2
374E40.6Very low42Very low183 Ų183161.5 Ų161.586%0.85584%0.837SS**  cis-120.6169.46.2-68.7172.5141.900111.9
375E41.3Very low43.9Very low197 Ų197165.6 Ų165.692%0.92184%0.84SS**  trans-90.5138.9170.3-60.5173.4134.500110.1
376E39.1Very low45.5Very low192 Ų192166.1 Ų166.190%0.89783%0.834SS**  trans-130.4130.6154.1-167.9172.3-148.400108.9
377E41Very low47.5Very low187 Ų187163.6 Ų163.687%0.87483%0.831SS**  trans-102.6109.1-162.7-176.1177.9-143.100111.2
378T36Very low48.7Very low124 Ų124157.4 Ų157.476%0.76182%0.822SS**  trans-133.690.2169.566.70000113
379E48.9Very low50.4Low174 Ų174159.9 Ų159.981%0.81382%0.824SS**  48.595.5122.6-155.1170.4117.600118.8
380E54.6Low51.4Low180 Ų180161.6 Ų161.684%0.84182%0.822SS**  trans25.198.3147.153.7172.1-157.500122.8
381E46.7Very low53.3Low141 Ų141168.1 Ų168.166%0.65983%0.827SS**  trans-137.965.6133.9-161.5-172.9148.300110.9G383 R384E381-G383 PolarHBondContact O-N 2.88Å; E381-G383 VanDerWaalsContact O-N 3.1Å; E381-R384 IonicContact OE1-CZ 3.9Å; E381-R384 IonicContact OE1-NE 3.61Å; E381-R384 PolarHBondContact OE1-NE 2.98Å; E381-R384 IonicContact OE1-NH2 2.61Å; E381-R384 PolarHBondContact OE1-NH2 3.41Å
382E54.3Low54.6Low204 Ų204162.1 Ų162.195%0.95382%0.82SS**THydrogen-bonded Turntrans-65.6108.8173.6-170.9-178.1-179.900110.6
383G61.1Low56.2Low73 Ų73168.2 Ų168.275%0.75382%0.824SS**THydrogen-bonded Turntrans162.6-12.3176.900000116.7E381E381-G383 PolarHBondContact O-N 2.88Å; E381-G383 VanDerWaalsContact O-N 3.1Å
384R69.3Low57.1Low195 Ų195165.4 Ų165.474%0.73682%0.822SS**  trans-107.7115.6178.1-64.8-178.1-171.6-98.7-3.2111.8E381E381-R384 IonicContact OE1-CZ 3.9Å; E381-R384 IonicContact OE1-NE 3.61Å; E381-R384 PolarHBondContact OE1-NE 2.98Å; E381-R384 IonicContact OE1-NH2 2.61Å; E381-R384 PolarHBondContact OE1-NH2 3.41Å
385L68Low58.3Low163 Ų163162.3 Ų162.385%0.85382%0.816SS**PPolyproline II helixtrans-58.2133.8166.8-66.6173.6000109.6T387L385-T387 PolarHBondContact O-N 2.83Å
386P70.9Confident59.8Low119 Ų119162.1 Ų162.177%0.77382%0.815SS**PPolyproline II helixtrans-61.1129.3-178.424.4-33.7000110.1P388P386-P388 WeakPolarHBondContact O-CD 3.49Å
387T74.1Confident61.3Low126 Ų126157.7 Ų157.777%0.77379%0.79SS**PPolyproline II helixtrans-59.8120.4-171.4-520000110.8L385 R389L385-T387 PolarHBondContact O-N 2.83Å; T387-R389 PolarHBondContact O-N 2.89Å
388P71.5Confident63Low109 Ų109152.1 Ų152.171%0.70877%0.769SS**  trans-65.2113.8-174.524.3-33.3000110.4P386 L390P386-P388 WeakPolarHBondContact O-CD 3.49Å; P388-L390 PolarHBondContact O-N 3.21Å
389R67.8Low64.6Low229 Ų229152.9 Ų152.986%0.86476%0.763SS**  trans-69.699.3-177.2-64.5-174.872.2171.43.6110.3T387 R391T387-R389 PolarHBondContact O-N 2.89Å; R389-R391 PolarHBondContact O-N 2.92Å; R389-R391 VanDerWaalsContact O-N 3.16Å
390L59.7Low65.4Low164 Ų164150.7 Ų150.786%0.85975%0.753SS**  trans-51.1117.2176.5-67.9172.5000110.8P388 T392P388-L390 PolarHBondContact O-N 3.21Å; L390-T392 PolarHBondContact O-N 2.8Å
391R67.6Low66.1Low230 Ų230144.9 Ų144.987%0.86873%0.728SS**  trans-83103.3175.7-64.6-64.6-172.9157.12.4108.9R389 R393R389-R391 PolarHBondContact O-N 2.92Å; R389-R391 VanDerWaalsContact O-N 3.16Å; R391-R393 VanDerWaalsContact C-N 3.3Å; R391-R393 PolarHBondContact O-N 2.89Å
392T60.2Low67.2Low141 Ų141144.1 Ų144.187%0.86573%0.727SS**  trans-68.281.8177.251.40000111.5L390L390-T392 PolarHBondContact O-N 2.8Å
393R64.7Low67.9Low214 Ų214139.9 Ų139.981%0.80872%0.716SS**  trans-71.8142.1160.7-72.2-175.2170-173.6-3.1108.8R391 V395R391-R393 VanDerWaalsContact C-N 3.3Å; R391-R393 PolarHBondContact O-N 2.89Å; R393-V395 PolarHBondContact O-N 2.94Å
394P62.6Low68.3Low129 Ų129140.5 Ų140.584%0.83871%0.705SS**  trans-68.598172.228.5-33000109.1Q396P394-Q396 PolarHBondContact O-N 2.86Å
395V65.6Low68Low118 Ų118136.1 Ų136.172%0.71570%0.701SS**  trans-69.3120.6171.5178.60000107.7R393 R397R393-V395 PolarHBondContact O-N 2.94Å; V395-R397 VanDerWaalsContact C-N 3.3Å; V395-R397 PolarHBondContact O-N 3Å
396Q71.1Confident67.7Low192 Ų192132.8 Ų132.890%0.89770%0.697SS**  trans-6794.3166.8-74.5-175.9-19.800108.1P394P394-Q396 PolarHBondContact O-N 2.86Å
397R71.8Confident67.2Low99 Ų99132.9 Ų132.937%0.37470%0.696SS.*  trans-63.4140.6177.6-67.7-163.980.8-146.7-6.3109.7V395 D401 L402V395-R397 VanDerWaalsContact C-N 3.3Å; V395-R397 PolarHBondContact O-N 3Å; R397-D401 HydrophobicContact CB-CB 3.69Å; R397-D401 HydrophobicContact CG-CB 4.39Å; R397-D401 IonicContact CZ-OD1 3.75Å; R397-D401 IonicContact NE-OD1 3.7Å; R397-D401 PolarHBondContact NH1-O 3.33Å; R397-D401 VanDerWaalsContact NH2-CB 3.33Å; R397-D401 PolarHBondContact NH2-O 2.83Å; R397-D401 IonicContact NH2-OD1 3.61Å; R397-D401 PolarHBondContact NH2-OD1 3.37Å; R397-L402 HydrophobicContact CB-CD2 4.11Å; R397-L402 HydrophobicContact CB-CG 4.44Å
398T75.8Confident66.7Low71 Ų71131.1 Ų131.144%0.43670%0.703SS.*  trans-67.7166.9179.3710000111.1H400 D401 L402T398-H400 PolarHBondContact O-N 3.14Å; T398-H400 PolarHBondContact OG1-N 3Å; T398-D401 WeakPolarHBondContact CB-OD2 3.28Å; T398-D401 PolarHBondContact N-OD2 3.29Å; T398-D401 VanDerWaalsContact O-CB 3.31Å; T398-D401 WeakPolarHBondContact O-CB 3.41Å; T398-D401 PolarHBondContact O-N 3.45Å; T398-D401 PolarHBondContact OG1-N 3.27Å; T398-D401 PolarHBondContact OG1-OD2 3.26Å; T398-L402 WeakPolarHBondContact O-CG 3.33Å; T398-L402 PolarHBondContact O-N 3.2Å
399H69.3Low66.1Low139 Ų139128.7 Ų128.764%0.64470%0.698SS**THydrogen-bonded Turntrans-63.2-25.9176.871.6-78.7000113.1
400H67.4Low65.7Low129 Ų129122.3 Ų122.360%0.59769%0.694SS**THydrogen-bonded Turntrans-70.9-34172.1-54.4-59000112.9T398 T403T398-H400 PolarHBondContact O-N 3.14Å; T398-H400 PolarHBondContact OG1-N 3Å; H400-T403 PolarHBondContact O-OG1 3.21Å
401D67.9Low65.7Low58 Ų58122 Ų12231%0.3169%0.692SS.*THydrogen-bonded Turntrans-69-33.7-179.9-84.5-74.3000113.2R397 T398 T403 T404R397-D401 HydrophobicContact CB-CB 3.69Å; R397-D401 HydrophobicContact CG-CB 4.39Å; R397-D401 IonicContact CZ-OD1 3.75Å; R397-D401 IonicContact NE-OD1 3.7Å; R397-D401 PolarHBondContact NH1-O 3.33Å; R397-D401 VanDerWaalsContact NH2-CB 3.33Å; R397-D401 PolarHBondContact NH2-O 2.83Å; R397-D401 IonicContact NH2-OD1 3.61Å; R397-D401 PolarHBondContact NH2-OD1 3.37Å; T398-D401 WeakPolarHBondContact CB-OD2 3.28Å; T398-D401 PolarHBondContact N-OD2 3.29Å; T398-D401 VanDerWaalsContact O-CB 3.31Å; T398-D401 WeakPolarHBondContact O-CB 3.41Å; T398-D401 PolarHBondContact O-N 3.45Å; T398-D401 PolarHBondContact OG1-N 3.27Å; T398-D401 PolarHBondContact OG1-OD2 3.26Å; D401-T403 VanDerWaalsContact C-N 3.32Å; D401-T403 PolarHBondContact O-N 2.97Å; D401-T404 PolarHBondContact O-N 2.91Å
402L69.6Low65.2Low124 Ų124118.9 Ų118.965%0.64969%0.692SS**THydrogen-bonded Turntrans-73-21-174-67173.6000113.5R397 T398 T404R397-L402 HydrophobicContact CB-CD2 4.11Å; R397-L402 HydrophobicContact CB-CG 4.44Å; T398-L402 WeakPolarHBondContact O-CG 3.33Å; T398-L402 PolarHBondContact O-N 3.2Å; L402-T404 VanDerWaalsContact C-N 3.3Å
403T68.9Low64.8Low116 Ų116118.6 Ų118.671%0.71269%0.689SS**THydrogen-bonded Turntrans-77.9-17.3175.562.20000112.8H400 D401H400-T403 PolarHBondContact O-OG1 3.21Å; D401-T403 VanDerWaalsContact C-N 3.32Å; D401-T403 PolarHBondContact O-N 2.97Å
404T69.4Low63.9Low86 Ų86111.4 Ų111.453%0.52868%0.681SS.*SBendtrans-93.7113.9174.9-56.40000109.5D401 L402 A406D401-T404 PolarHBondContact O-N 2.91Å; L402-T404 VanDerWaalsContact C-N 3.3Å; T404-A406 PolarHBondContact O-N 2.61Å
405P64.8Low63.5Low102 Ų102114.7 Ų114.766%0.66268%0.682SS**  trans-64.4121.6179.326-33.3000110.3T407P405-T407 PolarHBondContact O-N 3.41Å; P405-T407 VanDerWaalsContact O-N 3.08Å
406A61.2Low62.5Low93 Ų93114.4 Ų114.477%0.76968%0.683SS**SBendtrans-68.9-5.2-177.700000114.2T404T404-A406 PolarHBondContact O-N 2.61Å
407T59.2Low61.2Low121 Ų121111.9 Ų111.974%0.74268%0.681SS**SBendtrans-113110.1175.1-55.90000108.9P405 G409P405-T407 PolarHBondContact O-N 3.41Å; P405-T407 VanDerWaalsContact O-N 3.08Å; T407-G409 PolarHBondContact O-N 3.46Å
408G64.9Low59.8Low89 Ų89113.9 Ų113.992%0.91870%0.699SS**  trans-71.186.1179.100000112.7
409G59.5Low58.1Low59 Ų59121.6 Ų121.661%0.60872%0.72SS**  trans-103.6128.4171.500000111.7T407 I411T407-G409 PolarHBondContact O-N 3.46Å; G409-I411 PolarHBondContact O-N 3.21Å
410A57.6Low56.8Low95 Ų95121.9 Ų121.979%0.78573%0.727SS**  trans-74.4120.8176.500000111L412A410-L412 PolarHBondContact O-N 3.02Å; A410-L412 VanDerWaalsContact O-N 3.08Å
411I61.4Low55.3Low156 Ų156122.7 Ų122.780%0.874%0.735SS**  trans-77.695.6176.6-53.6176.9000109G409 V413G409-I411 PolarHBondContact O-N 3.21Å; I411-V413 HydrophobicContact CG2-CG2 4.34Å; I411-V413 PolarHBondContact O-N 3.07Å; I411-V413 VanDerWaalsContact O-N 3.14Å
412L57.2Low53.8Low166 Ų166125.7 Ų125.787%0.86976%0.761SS**  trans-74.298.7173-72.4173.5000110.3A410 G414A410-L412 PolarHBondContact O-N 3.02Å; A410-L412 VanDerWaalsContact O-N 3.08Å; L412-G414 VanDerWaalsContact C-N 3.31Å; L412-G414 PolarHBondContact O-N 3.06Å
413V49.9Very low52.1Low135 Ų135125.4 Ų125.482%0.81877%0.769SS**  trans-73.185.1173.8-175.90000109.8I411I411-V413 HydrophobicContact CG2-CG2 4.34Å; I411-V413 PolarHBondContact O-N 3.07Å; I411-V413 VanDerWaalsContact O-N 3.14Å
414G45.9Very low50.8Low62 Ų62126.1 Ų126.164%0.63978%0.776SS**PPolyproline II helixtrans-67.1141.5168.100000111.3L412L412-G414 VanDerWaalsContact C-N 3.31Å; L412-G414 PolarHBondContact O-N 3.06Å
415K55Low49Very low198 Ų198130.2 Ų130.286%0.86179%0.793SS**PPolyproline II helixtrans-74.6124.5176-64.6177.6-179.9178.30109.8T417K415-T417 PolarHBondContact O-N 3.4Å
416P45.3Very low47.9Very low113 Ų113135 Ų13573%0.73480%0.803SS**PPolyproline II helixtrans-70.9126.8170.329.1-32.7000109.9
417T44.2Very low46.8Very low138 Ų138139.5 Ų139.585%0.84781%0.808SS**  trans-94.796.9170.8510000109.1K415 R419K415-T417 PolarHBondContact O-N 3.4Å; T417-R419 PolarHBondContact O-N 2.94Å
418N41Very low45.6Very low141 Ų141142.4 Ų142.475%0.75481%0.811SS**  trans-67.1127.1176.5-71-1.1000110.8
419R41.1Very low44.1Very low234 Ų234144.6 Ų144.688%0.88380%0.797SS**  trans-154.597.9148.2-143.6172.9-177.1165.31109.5T417T417-R419 PolarHBondContact O-N 2.94Å
420D41.4Very low42.8Very low145 Ų145150.8 Ų150.878%0.77581%0.807SS**  trans-68.2143.2169-59-82.6000110.3
421D36.6Very low41.4Very low145 Ų145155.5 Ų155.578%0.77581%0.81SS**  trans-154.2120.5154.7-103.9-46.1000111.2
422S35.6Very low39.9Very low121 Ų121152.6 Ų152.685%0.84681%0.81SS**  trans69.3117.6164.966.50000121.9
423S35.1Very low38.8Very low119 Ų119150.3 Ų150.383%0.83281%0.807SS**  trans-57.4169.6168.4-60.50000116.4
424P41Very low38.7Very low130 Ų130148.6 Ų148.684%0.84480%0.799SS**  trans-86.2153.2-16434.4-37000115.5
425I31.4Very low37.8Very low172 Ų172153.1 Ų153.188%0.88280%0.804SS**  trans-128.9150.8170.8-156.9165.7000112.1
426K40.5Very low36.5Very low202 Ų202152.8 Ų152.888%0.87880%0.802SS**  trans-101.3119.2-171-60.6171-178.1171.80112.3
427Q38.8Very low35.7Very low189 Ų189150.4 Ų150.488%0.88380%0.798SS**  trans-159.5109.3154.4-106160.112.300108.1
428K35.1Very low35.4Very low182 Ų182148 Ų14879%0.79179%0.788SS**  60.186.773.3-105.7-165.9174.7-173.80116.2
429Q33.5Very low35.1Very low135 Ų135149.1 Ų149.163%0.63179%0.788SS**  71.4101.3112.6-170.6-174.510.800119.8
430K31.3Very low34.6Very low189 Ų189144.5 Ų144.582%0.82279%0.786SS**  trans169.1119.1134.4-90.9154.8-175.2-174.10108.2
431F29.2Very low34.1Very low193 Ų193141.3 Ų141.385%0.84679%0.787SS**  89140.968-91.4-65.4000113.9
432A28.7Very low34.2Very low96 Ų96140.3 Ų140.379%0.79379%0.786SS**  trans75.799.517100000120
433S34.4Very low34.2Very low117 Ų117142 Ų14282%0.81879%0.786SS**  -81.8173.9123.5-57.60000108
434P47.9Very low34.4Very low100 Ų100145.9 Ų145.965%0.64979%0.788SS**  cis-141.1-14719.236.4-9.3000112.7
435E25.9Very low34.5Very low156 Ų156145.4 Ų145.473%0.72978%0.784SS**  cis-161.2155.94.8-155.3857900112.3
436F28.1Very low34.6Very low191 Ų191143.3 Ų143.384%0.83878%0.779SS**  trans66167.2144.5-117.3-107.4000123.7
437G29.3Very low34.5Very low63 Ų63143 Ų14365%0.64978%0.778SS**  trans102.199-179.100000112.4
438S37.3Very low34.2Very low89 Ų89142.4 Ų142.462%0.62278%0.78SS**  67.7137.963.3-65.50000115
439E34.3Very low34Very low164 Ų164142 Ų14277%0.76678%0.778SS**  cis-166.8169.9-21.258.7-160.1106.800110.9
440V31.7Very low34Very low136 Ų136142.9 Ų142.982%0.82478%0.782SS**  trans31.3122.7162.7-174.90000120.4
441G30.5Very low34.1Very low78 Ų78138.5 Ų138.580%0.80478%0.782SS**  trans-165.8100.7163.300000114.1
442V38.8Very low34Very low125 Ų125140.4 Ų140.476%0.75878%0.783SS**  trans-89.7140.2-179.4174.20000111.2
443N34.6Very low35Very low156 Ų156140.9 Ų140.983%0.83478%0.778SS**  trans177.8150.6134.5-94.1-46000114.5
444K39.9Very low34.6Very low201 Ų201142.5 Ų142.587%0.87477%0.773SS**  trans-146.1130.9167.1-74.4-176.3179.3176.90109.9
445P42.7Very low33.9Very low119 Ų119143.7 Ų143.777%0.77377%0.774SS**  -132.7145.91249.213.1000110.9
446V33.6Very low34.1Very low129 Ų129141.2 Ų141.278%0.78277%0.774SS**  86.598.753.9177.80000114.8
447K38.7Very low35Very low195 Ų195137.3 Ų137.385%0.84877%0.767SS**  trans49.7124.2147.5-68.7-173.7173.6-175.10123
448L32.8Very low35Very low177 Ų177140.6 Ų140.693%0.92778%0.775SS**  trans-166.2171.5133.4-128.4128.7000110.1
449K31.3Very low34.6Very low173 Ų173141.2 Ų141.275%0.75278%0.779SS**  -144.4168.4-81.4-174.6173.6173-172.40108.8
450E33.3Very low34.5Very low153 Ų153141.7 Ų141.772%0.71579%0.786SS**  trans-72.2155.8-176.4-37.4103.3121.700116.1
451A32.3Very low34.3Very low98 Ų98140.2 Ų140.281%0.8178%0.782SS**  trans-168.1161.5131.400000112.1
452W28.5Very low35.4Very low232 Ų232142.2 Ų142.288%0.87978%0.781SS**  trans-102.7173.6-175.6-68.784.4000113.3
453P49.3Very low36Very low107 Ų107141.3 Ų141.370%0.69578%0.777SS**  -140.6171.493.942.7-29000112.5
454E25.8Very low36.2Very low150 Ų150140.1 Ų140.170%0.70178%0.778SS**  cis-151.8-146.4-4.1-151.244.2-141.800111.8
455N33.3Very low35.7Very low125 Ų125136.6 Ų136.667%0.66877%0.774SS**  trans-109.2138.7-161.1-55.6-52.3000117.2
456S29.4Very low35.2Very low105 Ų105137 Ų13773%0.73477%0.769SS**  9.1178.8128.982.30000122.9
457P47.5Very low35.2Very low108 Ų108137.2 Ų137.270%0.70176%0.762SS**  cis-142.8166.81.835.8-13.4000119.4
458V29.6Very low34.8Very low133 Ų133136.4 Ų136.481%0.80676%0.761SS**  trans49.8124142.6175.90000122.6
459S27.9Very low34.6Very low102 Ų102133.4 Ų133.471%0.71375%0.75SS**  -176.8136.5125.6-860000116.6
460L32.9Very low35.1Very low174 Ų174131.2 Ų131.291%0.91175%0.754SS**  trans47.4165.1135.6-57.3174.4000123.4
461S27.7Very low34.9Very low105 Ų105128.1 Ų128.173%0.73475%0.749SS**  trans-131-179.3178.664.80000110
462P53.3Low35.1Very low120 Ų120129.5 Ų129.578%0.77975%0.75SS**  cis-119-102.4-14.717.77.7000115.4
463P52.4Low35.5Very low106 Ų106126.4 Ų126.469%0.68875%0.745SS**  trans-110179.6-13343.2-31.7000115.4
464P38.7Very low35.2Very low131 Ų131125.8 Ų125.885%0.85174%0.741SS**  trans-132.4170.7144.738.4-26.7000115.1
465T28.3Very low35.9Very low127 Ų127126.3 Ų126.378%0.77974%0.744SS**  trans-130.3168.7-173.6-510000109.9
466N32.6Very low36.5Very low128 Ų128125.5 Ų125.568%0.68475%0.745SS**  trans77.1151.6157.7-114.3-8000115.6
467Q32.8Very low36.6Very low133 Ų133129 Ų12962%0.62175%0.754SS**  cis-124-174.8-1.5-74.8-82.72.800108
468Q30.2Very low35.9Very low177 Ų177134.3 Ų134.383%0.82776%0.759SS**  cis-161.2154.720.9-151.5155.792.900111.5
469T30.6Very low36.1Very low115 Ų115133.4 Ų133.471%0.70676%0.755SS**  trans-98.7170-177.1-15.20000112.1
470P40.2Very low36.5Very low127 Ų127137.7 Ų137.783%0.82576%0.76SS**  -137.6165.671.827.9-6.1000116.3
471S30.1Very low36.6Very low87 Ų87138.4 Ų138.461%0.60876%0.759SS**  trans-102.3167.8175.2-176.10000110.7
472P37.1Very low37Very low128 Ų128137.6 Ų137.683%0.83176%0.759SS**  -134.2147.7109.537.4-29.2000116.3
473Q36.8Very low36.6Very low166 Ų166137.6 Ų137.678%0.77676%0.759SS**  trans-126.1164162.7-83.6-100.7-3000105.5
474P43.1Very low36.5Very low95 Ų95138.4 Ų138.462%0.61776%0.764SS**  cis-136.9-162.235.626.72000112
475Q40.4Very low36.5Very low161 Ų161137.8 Ų137.875%0.75276%0.763SS**  cis-153.5168.430.8-78.6-703.100111.9
476P44.6Very low37.2Very low107 Ų107137.8 Ų137.870%0.69577%0.765SS**  trans-97.2165.7-179.538.8-34.5000114.5
477I31.3Very low37.7Very low179 Ų179136.7 Ų136.792%0.91877%0.774SS**  trans-123.6149.8166.1-65.2-178.4000110.1
478R33.9Very low38.3Very low219 Ų219134.5 Ų134.583%0.82678%0.778SS**  trans-123.3166.3-162.8-174.8-171.1165.7164.4-3.8111.1
479T33.3Very low39.5Very low115 Ų115131.7 Ų131.771%0.70678%0.776SS**  trans83.5146.5164.985.30000115.2
480K36.5Very low40.7Very low192 Ų192131.6 Ų131.684%0.83578%0.777SS**  cis-136.4154.16-78.3-170.7177.9-177.20113.9
481Q34.9Very low41Very low188 Ų188131.6 Ų131.688%0.87978%0.777SS**  trans-93.6159.4149.8-80.6175.2-2700108.3
482A35.4Very low41.8Very low89 Ų89135.7 Ų135.774%0.73679%0.791SS**  cis-148.3-165-16.400000106.1
483P44.9Very low42Very low119 Ų119133 Ų13377%0.77379%0.787SS**  cis-13317740.939-19.7000115
484P50.5Low42.6Very low124 Ų124130.7 Ų130.781%0.80579%0.789SS**  trans-90.1150.7175.235.4-34.4000113.9
485S38.1Very low43.3Very low117 Ų117131.1 Ų131.182%0.81879%0.792SS**  trans-141.7160.2170.7-88.50000109.7
486P44.4Very low43.8Very low128 Ų128129.1 Ų129.183%0.83179%0.793SS**PPolyproline II helixtrans-78.2161.5-146.228.6-36.3000116.5
487A42Very low44.5Very low104 Ų104132.8 Ų132.886%0.8680%0.8SS**PPolyproline II helixtrans-71135.5-172.100000114.1
488A45Very low45.8Very low87 Ų87133.1 Ų133.172%0.71980%0.798SS**PPolyproline II helixtrans-87.1146.9153.400000109.5
489P56.8Low46.3Very low119 Ų119125.2 Ų125.277%0.77378%0.784SS**PPolyproline II helixtrans-68.3146.7174.929.2-34.5000111.1
490P55.3Low47.1Very low112 Ų112128 Ų12873%0.72779%0.793SS**PPolyproline II helixtrans-65.1152.8172.529.4-35000110.9L492P490-L492 PolarHBondContact O-N 2.73Å
491P46.8Very low47.9Very low128 Ų128128 Ų12883%0.83180%0.796SS**PPolyproline II helixtrans-60.7135.9179.625.4-34.1000111.2G493P491-G493 PolarHBondContact O-N 3.07Å
492L45.8Very low48.4Very low173 Ų173122.1 Ų122.191%0.90679%0.785SS**PPolyproline II helixtrans-59.4132.7177.8-70.5164.2000110.4P490P490-L492 PolarHBondContact O-N 2.73Å
493G42.6Very low49.4Very low72 Ų72122.8 Ų122.874%0.74278%0.781SS**PPolyproline II helixtrans-60146.3175.600000111.8P491P491-G493 PolarHBondContact O-N 3.07Å
494S49.5Very low49.6Very low116 Ų116123.4 Ų123.481%0.81178%0.777SS**PPolyproline II helixtrans-57.7136179.946.10000111.7
495P57Low49.9Very low105 Ų105128 Ų12868%0.68278%0.778SS**PPolyproline II helixtrans-66.2147.317827.8-34.6000110.9Q497P495-Q497 PolarHBondContact O-N 3.18Å
496P51Low50.4Low119 Ų119127.5 Ų127.577%0.77376%0.763SS**PPolyproline II helixtrans-64.7123.3-179.426.3-34.1000110.9H498P496-H498 PolarHBondContact O-N 3.13Å
497Q59.4Low51Low184 Ų184125.9 Ų125.986%0.8675%0.752SS**THydrogen-bonded Turntrans-69.73.3-169.6-65.6-175.3-68.200115.6P495P495-Q497 PolarHBondContact O-N 3.18Å
498H59.3Low51.6Low185 Ų185126.3 Ų126.386%0.85674%0.74SS**THydrogen-bonded Turntrans-129.741-178.4-55.8-43.5000112.9P496P496-H498 PolarHBondContact O-N 3.13Å
499G44.1Very low51.8Low53 Ų53130 Ų13055%0.54674%0.74SS.*  trans-83.6129.9162.600000111.2Q501G499-Q501 PolarHBondContact O-N 2.79Å
500I50.5Low51.6Low173 Ų173132.3 Ų132.389%0.88774%0.741SS**  trans-68.3111.8171.8-61.3175000108.2G502I500-G502 PolarHBondContact O-N 2.77Å
501Q52.8Low51.3Low194 Ų194134.4 Ų134.491%0.90774%0.74SS**  trans-76.864.5178.1-69.4-169.2-4.500112.3G499 T503G499-Q501 PolarHBondContact O-N 2.79Å; Q501-T503 PolarHBondContact O-N 3.08Å
502G46.1Very low51.1Low63 Ų63136 Ų13665%0.64974%0.742SS**  trans-82.278.8171.300000112.1I500 L504I500-G502 PolarHBondContact O-N 2.77Å; G502-L504 PolarHBondContact O-N 2.89Å
503T55.3Low51.2Low104 Ų104132 Ų13264%0.63874%0.742SS**  trans-7692.4167.359.90000109.6Q501 R505Q501-T503 PolarHBondContact O-N 3.08Å; T503-R505 VanDerWaalsContact C-N 3.26Å; T503-R505 PolarHBondContact O-N 2.84Å
504L49.4Very low51Low132 Ų132136.5 Ų136.569%0.69174%0.744SS**  trans-7279.3177.4-169.771.2000110.4G502 H506G502-L504 PolarHBondContact O-N 2.89Å; L504-H506 PolarHBondContact O-N 3Å
505R57.2Low50.5Low219 Ų219139 Ų13983%0.82675%0.747SS**  trans-78.760.6179.8-63.7-173.4-176.6-160.7-0112.1T503T503-R505 VanDerWaalsContact C-N 3.26Å; T503-R505 PolarHBondContact O-N 2.84Å
506H48.9Very low49.5Very low108 Ų108142.3 Ų142.350%0.575%0.753SS.*  trans-100.9124.7162.8-75.7-80.3000109L504 D508 F509L504-H506 PolarHBondContact O-N 3Å; H506-D508 IonicContact ND1-OD2 3.37Å; H506-D508 PolarHBondContact O-N 3.17Å; H506-F509 HydrophobicContact CB-CD2 4.13Å
507P56.3Low49Very low94 Ų94142 Ų14261%0.6175%0.75SS**G310 helixtrans-66.3-23177.728.8-34.1000112F509 Q510P507-F509 PolarHBondContact O-N 3.33Å; P507-Q510 PolarHBondContact O-N 3.32Å; P507-Q510 VanDerWaalsContact O-N 3.17Å
508D54.1Low48Very low112 Ų112138.9 Ų138.960%0.59975%0.745SS**G310 helixtrans-71.40-170-38.4-71.2000114.4H506H506-D508 IonicContact ND1-OD2 3.37Å; H506-D508 PolarHBondContact O-N 3.17Å
509F50Low47.1Very low166 Ų166135.6 Ų135.673%0.72874%0.738SS**G310 helixtrans-111.711.4175.8-72.3-78.8000113.8H506 P507 H511H506-F509 HydrophobicContact CB-CD2 4.13Å; P507-F509 PolarHBondContact O-N 3.33Å; F509-H511 VanDerWaalsContact C-N 3.35Å; F509-H511 PolarHBondContact O-N 2.93Å; F509-H511 VanDerWaalsContact O-N 3.12Å
510Q53.2Low46.8Very low167 Ų167140.3 Ų140.378%0.7875%0.75SS**  trans-8569.9174.7-69.3-163-2600112.9P507P507-Q510 PolarHBondContact O-N 3.32Å; P507-Q510 VanDerWaalsContact O-N 3.17Å
511H47.2Very low46.2Very low156 Ų156137.2 Ų137.272%0.72274%0.742SS**  trans-121.6111.4171.4-68.5-19.6000112.2F509F509-H511 VanDerWaalsContact C-N 3.35Å; F509-H511 PolarHBondContact O-N 2.93Å; F509-H511 VanDerWaalsContact O-N 3.12Å
512N44.4Very low45.5Very low161 Ų161134.8 Ų134.886%0.86174%0.735SS**  trans70.561.3157.4-51.9-22.1000117
513G46.2Very low45.2Very low88 Ų88140 Ų14091%0.90774%0.742SS**  trans-102.77163.700000115
514E38.3Very low44.6Very low168 Ų168140.9 Ų140.979%0.78574%0.742SS**  trans-118.4105.1-174.5-169.9166.4-121.900111.2Q516E514-Q516 PolarHBondContact O-N 2.97Å; E514-Q516 VanDerWaalsContact O-N 3.16Å
515L39.1Very low44.1Very low168 Ų168140.1 Ų140.188%0.8875%0.748SS**  trans-75.198.2167.7-75.1171000108.4T517L515-T517 PolarHBondContact O-N 2.75Å
516Q37.1Very low43.5Very low174 Ų174138.2 Ų138.281%0.81375%0.746SS**  trans-55.5107.7171.6-73.3-175.7-22.800110.1E514 P518E514-Q516 PolarHBondContact O-N 2.97Å; E514-Q516 VanDerWaalsContact O-N 3.16Å; Q516-P518 WeakPolarHBondContact O-CD 3.48Å
517T39.9Very low43.2Very low114 Ų114145.4 Ų145.470%0.69978%0.779SS**  trans-70.7122.5165.244.40000108L515 V519L515-T517 PolarHBondContact O-N 2.75Å; T517-V519 VanDerWaalsContact C-N 3.26Å; T517-V519 PolarHBondContact O-N 3.44Å
518P38.8Very low42.5Very low118 Ų118148 Ų14877%0.76679%0.787SS**  trans-72.287.6172.729.3-33.1000108.7Q516 L520Q516-P518 WeakPolarHBondContact O-CD 3.48Å; P518-L520 PolarHBondContact O-N 2.97Å
519V40.4Very low41.9Very low115 Ų115149.8 Ų149.870%0.69780%0.797SS**  trans-64.7101.9168.9178.80000107.3T517 C521T517-V519 VanDerWaalsContact C-N 3.26Å; T517-V519 PolarHBondContact O-N 3.44Å; V519-C521 VanDerWaalsContact C-N 3.34Å; V519-C521 PolarHBondContact O-N 2.88Å
520L37.8Very low41.4Very low152 Ų152148.9 Ų148.980%0.79680%0.801SS**  trans-67.392.7175.3-74.2169.8000109.2P518 L522P518-L520 PolarHBondContact O-N 2.97Å; L520-L522 VanDerWaalsContact C-N 3.25Å; L520-L522 PolarHBondContact O-N 3.19Å
521C38Very low40.7Very low108 Ų108147.9 Ų147.973%0.7380%0.802SS**  trans-65.784.2170.2-101.30000110.4V519 H523V519-C521 VanDerWaalsContact C-N 3.34Å; V519-C521 PolarHBondContact O-N 2.88Å; C521-H523 VanDerWaalsContact C-N 3.28Å; C521-H523 PolarHBondContact O-N 3.46Å
522L38.2Very low40.3Very low143 Ų143147.4 Ų147.475%0.74981%0.807SS**  trans-6984.2169.2-75.1171.5000110.1L520 L524L520-L522 VanDerWaalsContact C-N 3.25Å; L520-L522 PolarHBondContact O-N 3.19Å; L522-L524 HydrophobicContact CB-CD1 4.11Å; L522-L524 HydrophobicContact CD2-CD1 4.21Å; L522-L524 PolarHBondContact O-N 2.61Å
523H39.4Very low40.1Very low174 Ų174146.5 Ų146.581%0.80680%0.804SS**  trans-70.785.6158.4-96.156.8000109.1C521 S525C521-H523 VanDerWaalsContact C-N 3.28Å; C521-H523 PolarHBondContact O-N 3.46Å; H523-S525 PolarHBondContact O-N 3.36Å
524L42.6Very low39.6Very low122 Ų122150.6 Ų150.664%0.63980%0.796SS**  trans-80.7103.5157.6-93.773.7000107.9L522 F526L522-L524 HydrophobicContact CB-CD1 4.11Å; L522-L524 HydrophobicContact CD2-CD1 4.21Å; L522-L524 PolarHBondContact O-N 2.61Å; L524-F526 HydrophobicContact CD2-CE2 4.37Å; L524-F526 PolarHBondContact O-N 3.39Å
525S38.4Very low39.7Very low116 Ų116149.3 Ų149.381%0.81180%0.797SS**  trans-63.4126.4163.9-54.90000109.3H523H523-S525 PolarHBondContact O-N 3.36Å
526F45.6Very low39.8Very low178 Ų178147.8 Ų147.878%0.78179%0.79SS**  trans-120.2111.1171.1-110.6-83.1000109.1L524L524-F526 HydrophobicContact CD2-CE2 4.37Å; L524-F526 PolarHBondContact O-N 3.39Å
527H41.1Very low40Very low259 Ų259145.4 Ų145.4100%1.19979%0.788SS**  trans58.40176.2-91.6-70.9000118.2

Retrieved 527 of 527 residues in 669.6 ms (Link to these results)