A0A5K4F3P0_SCHMA Loading...

Supervillin

AlphaFold DB , UniProt , Accession A0A5K4F3P0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 999 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low36.2Very low224 Ų224160.9 Ų160.9100%1.10382%0.818SS**  062.30-61.4-169.6179.800108.5
2D36.2Very low35.6Very low133 Ų133163.9 Ų163.971%0.71182%0.821SS**  95130.263.6-76.6-58.4000109.6
3N36.2Very low35.2Very low119 Ų119170.2 Ų170.264%0.63683%0.83SS**  cis-164.8-174.8-11-147.7-50.5000107.9
4T39.7Very low35.1Very low113 Ų113170.7 Ų170.769%0.69383%0.829SS**  trans84.3108.3172.874.10000115.3
5K37.9Very low34.6Very low177 Ų177169.9 Ų169.977%0.7783%0.829SS**  72.4133.268.6-67.2169.4-177.6178.80111.3
6T38.8Very low34.8Very low128 Ų128168.8 Ų168.879%0.78583%0.825SS**  cis-165141.63.810.70000108.8
7S31Very low34.6Very low118 Ų118168.8 Ų168.883%0.82582%0.823SS**  trans-95.9134.6167.758.50000111.9
8P37.1Very low34.5Very low115 Ų115164.9 Ų164.975%0.74781%0.813SS**  trans-122.3115.2160.133-19.4000113.6
9Q35.9Very low34.4Very low192 Ų192165.5 Ų165.590%0.89781%0.813SS**  trans44.2125.6136.7-59.8-166.8-3.500122.6
10R31Very low34.4Very low237 Ų237165.1 Ų165.189%0.89481%0.809SS**  trans-32.8132.3152.4-60.6167.2172.5164.4-4114.6
11K35.4Very low34.5Very low214 Ų214163.8 Ų163.893%0.9380%0.801SS**  trans-136.5123.1138.3-93.2-175.6178.3176.30110
12F29.4Very low34.1Very low197 Ų197159.8 Ų159.886%0.86478%0.784SS**  trans-89.6166.7171.6-111-98.7000110.2
13R30.5Very low33.9Very low246 Ų246161.1 Ų161.193%0.92878%0.784SS**  trans76.8117.9-178.6-50.7179.7174.1-149.2-2.7112.2
14Q33.1Very low33.7Very low177 Ų177160.9 Ų160.983%0.82779%0.792SS**  -150.5141.360.3-149.9165.40.400112.1
15I28.9Very low33.4Very low159 Ų159161.3 Ų161.382%0.81579%0.794SS**  trans-81.4125.7171.8-63.4166.8000107.3
16I36.3Very low33.3Very low152 Ų152157.5 Ų157.578%0.77979%0.787SS**  trans-117.6110.6169.9-60.2178.9000107.2
17Q32.6Very low33Very low169 Ų169157 Ų15779%0.7979%0.789SS**  trans-80.2170.6172.4-105.5-168.48.800110.8
18P32.6Very low33.1Very low99 Ų99160.3 Ų160.364%0.64379%0.789SS**  trans-84.1167.2-140.434.8-38.7000114.7
19H33.2Very low32.8Very low176 Ų176157.8 Ų157.882%0.81578%0.784SS**  trans-110.299.9159.9-136.844.6000109.9H21H19-H21 PolarHBondContact O-N 3.46Å; H19-H21 VanDerWaalsContact O-N 3.07Å
20E33.3Very low32.6Very low156 Ų156157.4 Ų157.473%0.72978%0.776SS**  trans-70.995.1173.2-65.3-17015700109.9N22E20-N22 PolarHBondContact O-N 3.49Å
21H36.3Very low32.8Very low138 Ų138152.8 Ų152.864%0.63977%0.769SS**  trans-78.489.6173-125.5-62.8000110.2H19 F23H19-H21 PolarHBondContact O-N 3.46Å; H19-H21 VanDerWaalsContact O-N 3.07Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 HydrophobicContact CB-CD2 4.11Å; H21-F23 HydrophobicContact CB-CE2 3.93Å; H21-F23 AromaticContact CG-CE2 3.73Å; H21-F23 AromaticContact ND1-CE2 3.38Å; H21-F23 WeakPolarHBondContact ND1-CE2 3.36Å; H21-F23 AromaticContact ND1-CZ 3.82Å; H21-F23 PolarHBondContact O-N 3.5Å
22N31Very low32.6Very low141 Ų141150.8 Ų150.875%0.75476%0.76SS**  trans-60.687.9171.2-80.7-59.3000111.1E20 S24E20-N22 PolarHBondContact O-N 3.49Å; N22-S24 PolarHBondContact O-N 3.49Å
23F33Very low32.8Very low161 Ų161151.5 Ų151.571%0.70676%0.757SS**  trans-87.192.3165.5-80.9-78.7000109.6H21 V25H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 HydrophobicContact CB-CD2 4.11Å; H21-F23 HydrophobicContact CB-CE2 3.93Å; H21-F23 AromaticContact CG-CE2 3.73Å; H21-F23 AromaticContact ND1-CE2 3.38Å; H21-F23 WeakPolarHBondContact ND1-CE2 3.36Å; H21-F23 AromaticContact ND1-CZ 3.82Å; H21-F23 PolarHBondContact O-N 3.5Å; F23-V25 PolarHBondContact O-N 3.14Å; F23-V25 VanDerWaalsContact O-N 3.15Å
24S31.6Very low33Very low113 Ų113147.5 Ų147.579%0.7975%0.754SS**  trans-58.9112.5167.1-175.30000109.5N22N22-S24 PolarHBondContact O-N 3.49Å
25V31.7Very low33Very low123 Ų123143.5 Ų143.575%0.74575%0.752SS**  trans-98.1115.6169.1-179.20000107F23 S27F23-V25 PolarHBondContact O-N 3.14Å; F23-V25 VanDerWaalsContact O-N 3.15Å; V25-S27 PolarHBondContact O-N 2.81Å
26P36.2Very low33.1Very low96 Ų96146.1 Ų146.162%0.62376%0.757SS**  trans-65.9102.4178.2-2133.5000111F28P26-F28 HydrophobicContact CB-CD2 3.9Å; P26-F28 HydrophobicContact CB-CE2 3.69Å; P26-F28 PolarHBondContact O-N 3.23Å
27S32.9Very low33.2Very low117 Ų117148.3 Ų148.382%0.81876%0.761SS**  trans-79.195.1167.1-173.20000108.6V25 G29V25-S27 PolarHBondContact O-N 2.81Å; S27-G29 PolarHBondContact O-N 3.4Å
28F32.2Very low33.2Very low188 Ų188146.5 Ų146.583%0.82576%0.762SS**  trans-81.690.7168.1-79.9-85.6000109.3P26P26-F28 HydrophobicContact CB-CD2 3.9Å; P26-F28 HydrophobicContact CB-CE2 3.69Å; P26-F28 PolarHBondContact O-N 3.23Å
29G32.6Very low33.3Very low63 Ų63148.9 Ų148.965%0.64977%0.769SS**  trans-135.881.6169.500000109.3S27 D31S27-G29 PolarHBondContact O-N 3.4Å; G29-D31 PolarHBondContact O-N 3.06Å
30Y30.8Very low33.4Very low184 Ų184148.3 Ų148.372%0.72277%0.767SS**  trans-86.395.1177.1-110.2-83.2000109.8F32Y30-F32 HydrophobicContact CD1-CD1 4.41Å; Y30-F32 AromaticContact CD1-CD2 4Å; Y30-F32 HydrophobicContact CD1-CD2 4Å; Y30-F32 AromaticContact CD1-CE1 3.88Å; Y30-F32 HydrophobicContact CD1-CE1 3.88Å; Y30-F32 AromaticContact CD1-CE2 3.41Å; Y30-F32 HydrophobicContact CD1-CE2 3.41Å; Y30-F32 VanDerWaalsContact CD1-CE2 3.41Å; Y30-F32 HydrophobicContact CD1-CG 4.47Å; Y30-F32 AromaticContact CD1-CZ 3.34Å; Y30-F32 HydrophobicContact CD1-CZ 3.34Å; Y30-F32 HydrophobicContact CE1-CE1 4.04Å; Y30-F32 HydrophobicContact CE1-CE2 4.24Å; Y30-F32 AromaticContact CE1-CZ 3.7Å; Y30-F32 HydrophobicContact CE1-CZ 3.7Å; Y30-F32 HydrophobicContact CG-CD2 4.49Å; Y30-F32 AromaticContact CG-CE2 3.85Å; Y30-F32 HydrophobicContact CG-CE2 3.85Å; Y30-F32 HydrophobicContact CG-CZ 4.14Å
31D35.1Very low33.8Very low140 Ų140150 Ų15075%0.74977%0.772SS**  trans-90.9100170.4-161.4-10.7000109.4G29 R33G29-D31 PolarHBondContact O-N 3.06Å; D31-R33 VanDerWaalsContact C-N 3.3Å; D31-R33 PolarHBondContact O-N 3Å
32F31.3Very low33.7Very low172 Ų172149.5 Ų149.575%0.75477%0.774SS**  trans-82.265.7-175-82-81.5000112.1Y30Y30-F32 HydrophobicContact CD1-CD1 4.41Å; Y30-F32 AromaticContact CD1-CD2 4Å; Y30-F32 HydrophobicContact CD1-CD2 4Å; Y30-F32 AromaticContact CD1-CE1 3.88Å; Y30-F32 HydrophobicContact CD1-CE1 3.88Å; Y30-F32 AromaticContact CD1-CE2 3.41Å; Y30-F32 HydrophobicContact CD1-CE2 3.41Å; Y30-F32 VanDerWaalsContact CD1-CE2 3.41Å; Y30-F32 HydrophobicContact CD1-CG 4.47Å; Y30-F32 AromaticContact CD1-CZ 3.34Å; Y30-F32 HydrophobicContact CD1-CZ 3.34Å; Y30-F32 HydrophobicContact CE1-CE1 4.04Å; Y30-F32 HydrophobicContact CE1-CE2 4.24Å; Y30-F32 AromaticContact CE1-CZ 3.7Å; Y30-F32 HydrophobicContact CE1-CZ 3.7Å; Y30-F32 HydrophobicContact CG-CD2 4.49Å; Y30-F32 AromaticContact CG-CE2 3.85Å; Y30-F32 HydrophobicContact CG-CE2 3.85Å; Y30-F32 HydrophobicContact CG-CZ 4.14Å
33R34.4Very low33.9Very low211 Ų211149.6 Ų149.680%0.79678%0.78SS**  trans-134.1104.7173.2-65.1-169.9118.7178.83.2113.8D31D31-R33 VanDerWaalsContact C-N 3.3Å; D31-R33 PolarHBondContact O-N 3Å
34N33.2Very low34.1Very low162 Ų162148.2 Ų148.287%0.86678%0.779SS**  trans48.6102.8148.9-63.9-20.3000119.8
35A33.8Very low34.2Very low94 Ų94152.2 Ų152.278%0.77779%0.785SS**  -163.588.7126.800000112.6K37A35-K37 PolarHBondContact O-N 3.11Å; A35-K37 VanDerWaalsContact O-N 3.1Å
36F30.6Very low34.2Very low213 Ų213154 Ų15493%0.93479%0.785SS**  trans-67.1102.6152.7-93-93.9000108.3
37K38.1Very low34.2Very low198 Ų198158.3 Ų158.386%0.86180%0.797SS**  trans-133.899.8158.1-79.9-167.6175.8179.30109.6A35A35-K37 PolarHBondContact O-N 3.11Å; A35-K37 VanDerWaalsContact O-N 3.1Å
38T33.9Very low34.1Very low131 Ų131157.5 Ų157.580%0.80479%0.791SS**  trans-60.8139.9164.640.70000110.1
39N34Very low34.4Very low149 Ų149153.9 Ų153.980%0.79779%0.786SS**  trans-145.490.8156.5-162.4-9.1000108.2K41N39-K41 PolarHBondContact O-N 3.09Å
40E36.2Very low34.4Very low165 Ų165155.9 Ų155.977%0.77179%0.786SS**  trans-73.7120.3173.2-65.2-178.9131.900109.6
41K40.2Very low34.6Very low191 Ų191154.3 Ų154.383%0.8379%0.79SS**  trans-132.693.8149.2-77.4-163174.7-175.90109.5N39N39-K41 PolarHBondContact O-N 3.09Å
42N35.7Very low34.5Very low127 Ų127152.4 Ų152.468%0.67978%0.784SS**  trans-60.3144.4164.1-81.2-50.6000110.2
43T35.1Very low34.6Very low144 Ų144150.5 Ų150.588%0.88379%0.786SS**  trans-139.8108.7150.1-550000106.8
44I36.9Very low34.8Very low132 Ų132146.4 Ų146.468%0.67779%0.79SS**  trans-99.8139-177.4-64.6170.2000108.4Q46I44-Q46 HydrophobicContact CG2-CB 4.29Å
45Q33.6Very low34.8Very low196 Ų196146 Ų14692%0.91678%0.783SS**  trans-142.185.8164.8-165.7178.38400104.2
46Q31.8Very low35Very low162 Ų162150 Ų15076%0.75779%0.79SS**  66.299.963.4-154.5-170.462.600113.5I44I44-Q46 HydrophobicContact CG2-CB 4.29Å
47Q35Very low35.3Very low185 Ų185147.5 Ų147.586%0.86478%0.779SS**  trans-17086.8152.6-103.7171.81300106.6
48S32.2Very low35.3Very low101 Ų101147.7 Ų147.771%0.70678%0.78SS**  81.6153.471.982.50000113.2
49P38.6Very low35.3Very low111 Ų111147.6 Ų147.672%0.72178%0.779SS**  -148.6-167.8-107.739.3-14.9000117.3
50T31.8Very low35.3Very low106 Ų106149.6 Ų149.665%0.6579%0.786SS**  trans70.2134.6147.7-40.40000122.8T52T50-T52 HydrophobicContact CG2-CG2 4.18Å
51D34.8Very low35.2Very low150 Ų150151.1 Ų151.180%0.80279%0.791SS**  trans179.3104.3132.5-89.1-10.2000108.6
52T34.2Very low34.8Very low101 Ų101150 Ų15062%0.6279%0.792SS**  78.4106.98255.90000118.4T50T50-T52 HydrophobicContact CG2-CG2 4.18Å
53T33.1Very low34.6Very low131 Ų131148.2 Ų148.280%0.80480%0.796SS**  trans54.8124138.356.60000123.2
54S37.8Very low34.2Very low125 Ų125149.4 Ų149.487%0.87480%0.796SS**  -176.6162.6113.655.60000113.5
55E34.3Very low33.9Very low155 Ų155147.3 Ų147.372%0.72480%0.798SS**  trans-79.7164.1-171.9-47.5-175.1125.800115.7
56L36.1Very low33.8Very low176 Ų176143.7 Ų143.792%0.92179%0.79SS**  -168.9151.3126.6-103.8160.3000113.8
57K37Very low33.7Very low162 Ų162141.8 Ų141.870%0.70479%0.789SS**  trans-104.1151.6-166.6-62.8159.9178.5157.70113.7
58K39.7Very low33.5Very low201 Ų201139.6 Ų139.687%0.87478%0.783SS**  trans176.1104.3145.4-99.4160.8-178-179.30109.9
59T32.5Very low33.5Very low129 Ų129143.6 Ų143.679%0.79179%0.791SS**  65.599.670.360.20000118.7
60M35.2Very low33.2Very low191 Ų191143.8 Ų143.894%0.94179%0.792SS**  trans175.5113.2144.2-101.2-179.9165.200105.8
61K33.2Very low33.2Very low198 Ų198149.6 Ų149.686%0.86180%0.802SS**  cis86.3123.930.9-139.8-172-170.9-174.30115.1
62L32.8Very low33Very low166 Ų166148.5 Ų148.587%0.86980%0.803SS**  trans79.8147.3-177.3-56.7167.3000113.9
63A31.4Very low33Very low91 Ų91150.7 Ų150.775%0.75281%0.81SS**  cis-133-153.60.700000112.6
64L25.6Very low32.7Very low168 Ų168152.1 Ų152.188%0.8881%0.812SS**  trans-125.3144.7179.7-89.464.6000111.7
65A31.9Very low32.4Very low89 Ų89150.7 Ų150.774%0.73680%0.802SS**  trans-171.8112.8134.400000108.2
66T30Very low32.2Very low119 Ų119149.2 Ų149.273%0.7380%0.804SS**  50.112184.4-17.70000111.6
67V30.7Very low31.9Very low123 Ų123148.1 Ų148.175%0.74580%0.797SS**  -164.3132.861.5161.20000112.6
68N31.7Very low31.6Very low138 Ų138144.2 Ų144.274%0.73880%0.795SS**  trans30.9130.6143.8-50.6-23.9000123.8
69Q30.9Very low31.4Very low185 Ų185143.9 Ų143.986%0.86479%0.793SS**  trans-127.4143.3144.3-83.7-76.8-19.300108.6
70P32.6Very low31.5Very low116 Ų116144.7 Ų144.775%0.75380%0.799SS**PPolyproline II helixtrans-93.4159.4-157-4.725.2000115.6
71R31.6Very low31.2Very low228 Ų228139 Ų13986%0.8679%0.788SS**PPolyproline II helixtrans-94.5143.9166.1-65.7177.1178.2173.2-0.7110.3
72P31.9Very low31.2Very low127 Ų127136 Ų13683%0.82579%0.789SS**PPolyproline II helixtrans-77.5131.7160.56.39.9000110.1
73I33.2Very low31.1Very low147 Ų147133.2 Ų133.275%0.75478%0.784SS**  trans-110.8129.9169-67.9174.3000107.5S75I73-S75 PolarHBondContact O-N 3.36Å
74N26.4Very low31.3Very low161 Ų161135.1 Ų135.186%0.86179%0.786SS**  trans-73119.6172.8-70.5-20.4000110.6
75S30.8Very low31.5Very low94 Ų94134.3 Ų134.366%0.65778%0.782SS**  trans-177.3114.9149.357.40000109.8I73I73-S75 PolarHBondContact O-N 3.36Å
76V30.8Very low31.6Very low125 Ų125138.4 Ų138.476%0.75879%0.786SS**  86.7119.796.21670000114.2
77I29.2Very low31.5Very low153 Ų153139.3 Ų139.379%0.78579%0.792SS**  trans83.2108.8151.2-71.8168.9000120.9
78A31.9Very low31.7Very low80 Ų80136.8 Ų136.866%0.66178%0.784SS**  74.2130.2128.200000124.7
79K34.4Very low31.5Very low193 Ų193137 Ų13784%0.83979%0.785SS**  trans50107.5133.8-63.2178.5178.1-175.30118.8
80T34.8Very low31.6Very low147 Ų147137.7 Ų137.790%0.90279%0.785SS**  -170.1155.593.223.90000110.6
81G28.5Very low31.6Very low70 Ų70137 Ų13772%0.72278%0.779SS**  trans-76.2-173-175.400000115
82P35.1Very low31.5Very low136 Ų136136.7 Ų136.788%0.88378%0.78SS**  -124.8153.688.337-33.4000114.5
83S28.7Very low31.5Very low108 Ų108134.6 Ų134.676%0.75577%0.773SS**  trans-84.8140.3171.251.70000111.5
84V35.8Very low31.5Very low130 Ų130133.2 Ų133.279%0.78878%0.776SS**  trans-135.7103.3153.2179.40000107.5Q86V84-Q86 PolarHBondContact O-N 3.07Å
85D30.4Very low31.6Very low152 Ų152135.3 Ų135.381%0.81377%0.772SS**  trans-69.4122.1159.8-76.6-54.3000108.5
86Q35Very low31.6Very low174 Ų174136.4 Ų136.481%0.81378%0.777SS**  trans-157.8108.4151.7-120.6159.972.800111.3V84 A88V84-Q86 PolarHBondContact O-N 3.07Å; Q86-A88 PolarHBondContact O-N 3.3Å
87T26.8Very low31.4Very low138 Ų138136.1 Ų136.185%0.84777%0.767SS**  trans-55.6123.9168.3-35.20000109.7
88A34.2Very low31.6Very low70 Ų70135.1 Ų135.158%0.57976%0.763SS**  trans-134.193.2175.400000110.2Q86 F90Q86-A88 PolarHBondContact O-N 3.3Å; A88-F90 HydrophobicContact CB-CD2 4.07Å; A88-F90 HydrophobicContact CB-CE2 4Å; A88-F90 PolarHBondContact O-N 3.04Å; A88-F90 VanDerWaalsContact O-N 3.17Å
89D27.6Very low31.6Very low144 Ų144138.9 Ų138.977%0.7777%0.765SS**  trans-60.6110.7165.8-72.2-57.5000109.8
90F34.1Very low31.5Very low198 Ų198136.5 Ų136.587%0.86876%0.761SS**  trans-109.191.1168.1-87.6-78.5000110.9A88A88-F90 HydrophobicContact CB-CD2 4.07Å; A88-F90 HydrophobicContact CB-CE2 4Å; A88-F90 PolarHBondContact O-N 3.04Å; A88-F90 VanDerWaalsContact O-N 3.17Å
91T32Very low31.5Very low102 Ų102136.2 Ų136.263%0.62675%0.751SS**  trans-71.4171.4171.2-620000111
92Y29.3Very low31.6Very low222 Ų222142 Ų14287%0.87176%0.759SS**  trans87.8125.5174.9-59.2-83000115.6
93A32.8Very low31.6Very low83 Ų83143.7 Ų143.769%0.68675%0.752SS**  cis-150.2156.63.900000114.8
94S32.3Very low31.7Very low117 Ų117146.3 Ų146.382%0.81875%0.753SS**  trans69.955.6153.4-54.40000119.4
95R28.3Very low31.5Very low205 Ų205148 Ų14877%0.77476%0.757SS**  trans-82.2118.6151.1-169.3-174.7-158.4-152.27.8108.7Q97R95-Q97 PolarHBondContact O-N 2.88Å
96P30.8Very low31.5Very low117 Ų117151.9 Ų151.976%0.7676%0.76SS**  trans-70.495.5167.528.5-31.3000108.2L98P96-L98 PolarHBondContact O-N 3.45Å
97Q28.2Very low31.3Very low119 Ų119149.1 Ų149.156%0.55676%0.755SS**  trans-7295.6168.3-71.5-158.33700108.6R95 K99R95-Q97 PolarHBondContact O-N 2.88Å; Q97-K99 PolarHBondContact O-N 3.03Å
98L33.6Very low31.5Very low133 Ų133148.4 Ų148.470%0.69676%0.756SS**  trans-71.262.6161.9-93.1159.1000110.4P96 M101P96-L98 PolarHBondContact O-N 3.45Å; L98-M101 HydrophobicContact CD2-CB 3.97Å; L98-M101 HydrophobicContact CD2-CG 3.71Å; L98-M101 HydrophobicContact CD2-SD 3.49Å; L98-M101 WeakPolarHBondContact CD2-SD 3.29Å
99K30.6Very low31.2Very low159 Ų159150.2 Ų150.269%0.69176%0.764SS**  trans-93.5146.8149.1-70.2179.7176.2177.90106Q97Q97-K99 PolarHBondContact O-N 3.03Å
100D33.3Very low31.2Very low142 Ų142150.2 Ų150.276%0.75976%0.763SS**  trans75.132.1-172-58.9-27.1000118.2
101M33.3Very low31.1Very low142 Ų142152.5 Ų152.570%0.777%0.766SS**  trans-10139150.6-95-170.167.500112.9L98L98-M101 HydrophobicContact CD2-CB 3.97Å; L98-M101 HydrophobicContact CD2-CG 3.71Å; L98-M101 HydrophobicContact CD2-SD 3.49Å; L98-M101 WeakPolarHBondContact CD2-SD 3.29Å
102H32.4Very low30.9Very low191 Ų191157.7 Ų157.788%0.88477%0.774SS**SBendtrans-125.724.5171.3-97.3-82.8000113.4
103K34.1Very low31.1Very low171 Ų171156 Ų15674%0.74377%0.774SS**SBendtrans-129.6-14.1170.3-83-179.2177.7170.40115.7L105K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 3.41Å
104E30.2Very low31Very low163 Ų163159.1 Ų159.176%0.76278%0.78SS**THydrogen-bonded Turntrans-95.229.1-178.7-152.7166.3-172.400114.4
105L31.8Very low31.2Very low167 Ų167163.4 Ų163.487%0.87478%0.784SS**THydrogen-bonded Turntrans-123.621.9165.8-101.7162.1000111.5K103K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 3.41Å
106R31.8Very low31.3Very low232 Ų232161.2 Ų161.288%0.87579%0.787SS**SBendtrans-133.527.7178.2-78.8-163.5172.8-169.40.2114
107T29.4Very low31.3Very low117 Ų117163.3 Ų163.372%0.71879%0.787SS**SBendtrans-136.928.1-17740.20000114.8
108S31.1Very low31.6Very low123 Ų123168.4 Ų168.486%0.8680%0.801SS**SBendtrans-124.639.8167.649.70000112.4
109S28.1Very low31.3Very low108 Ų108170.4 Ų170.476%0.75581%0.807SS**  trans-126.249.7179.6-177.70000112.2
110L27.2Very low31.5Very low144 Ų144169.9 Ų169.975%0.75482%0.817SS**  trans-157.279170.7-146.875.9000116.2
111R32.2Very low31.3Very low245 Ų245171 Ų17193%0.92582%0.815SS**  trans-157.670.9153.7-153.6174.7-167169.54.5109.7
112R28.3Very low31.5Very low212 Ų212172 Ų17280%0.882%0.822SS**  4386.991-76.1-168.8176.9-104.42.7114.6
113Q33.4Very low31.4Very low186 Ų186166.9 Ų166.987%0.86980%0.804SS**  trans-170.594.8136.1-105.6171.1-20.500106.9
114N30.7Very low31.1Very low149 Ų149167.6 Ų167.680%0.79781%0.811SS**  5498.993.4-78.3-2.8000114.2
115F37Very low31.2Very low206 Ų206163.8 Ų163.890%0.90482%0.815SS**  trans-159.792.1130.4-110.1-72.3000109.9
116N29.2Very low31.1Very low159 Ų159161.1 Ų161.185%0.8581%0.81SS**  trans-85.2129.9157-93.4-20.6000106.9
117E31.5Very low31.2Very low161 Ų161157 Ų15775%0.75281%0.81SS**  trans170.7108.9143.6-104.4-177.5-169.100112.1
118R34.2Very low31.1Very low227 Ų227155.7 Ų155.786%0.85781%0.806SS**  174.9119.3109.5-94164.9-158.9-151.73.4111
119Q28.2Very low31.2Very low175 Ų175156.9 Ų156.982%0.81880%0.803SS**  trans-71.3143.9164.7-55.5173.48.600109
120V35Very low31.3Very low148 Ų148158.1 Ų158.190%0.89781%0.806SS**  trans-130.1127.8142.1-1800000107.1
121K28.9Very low31.9Very low164 Ų164157 Ų15771%0.71381%0.807SS**  trans-130.8110.9-167.3168.2-167.1176.4-174.70107.4
122L36.4Very low31.8Very low164 Ų164150.4 Ų150.486%0.85980%0.799SS**  trans-153.8140.3161.6-73.4-179.5000107.8
123T30.2Very low31.9Very low83 Ų83145.8 Ų145.851%0.50979%0.794SS.*  cis162117.2-30.7-91.10000104.5
124E29.3Very low32Very low187 Ų187146.8 Ų146.887%0.87480%0.796SS**  trans55.6140.6152.2-67154.5-15100121.4
125G32.4Very low31.9Very low83 Ų83145.1 Ų145.186%0.85680%0.796SS**  trans170.645.7-177.900000113.4
126S28.7Very low31.8Very low111 Ų111141 Ų14178%0.77679%0.793SS**  trans-79.2135.8-179.952.40000113.2
127V34.5Very low31.9Very low145 Ų145140.1 Ų140.188%0.87979%0.787SS**  trans-147.3142.1138.9-173.40000108.8
128S26.6Very low31.9Very low89 Ų89143.6 Ų143.662%0.62279%0.794SS**  trans-82.9167.4176.551.90000113.1
129D34Very low31.8Very low149 Ų149143.5 Ų143.580%0.79779%0.794SS**  -174.1163.2112.1-89.4-3.3000113.2
130T30.2Very low32.2Very low133 Ų133141.4 Ų141.482%0.81680%0.795SS**  trans-107.1170.9-148.727.80000114.9
131P38.6Very low32.1Very low120 Ų120137.8 Ų137.878%0.77979%0.788SS**  trans-104.3173.7-153.940.6-37.6000115.2
132S31.1Very low32.3Very low108 Ų108134.6 Ų134.676%0.75579%0.787SS**  trans-153.4110.4154.2-161.70000115
133T30.2Very low32Very low115 Ų115133.8 Ų133.871%0.70678%0.78SS**  45.5112.6119.7-29.50000120.5
134K35.7Very low32.2Very low207 Ų207139.5 Ų139.590%0.979%0.794SS**  -172.6144.9109.9-99.9164.3-172.3176.20113.4
135S29.2Very low32.5Very low114 Ų114138 Ų13880%0.79779%0.791SS**  trans-91.7154.1-176.146.70000113
136S33Very low32.8Very low120 Ų120140.1 Ų140.184%0.83979%0.79SS**  -158.7126.4129.9-1640000111.6
137I31.2Very low33Very low140 Ų140144.5 Ų144.572%0.71880%0.795SS**  trans-92.9145.3174.3-66.6156.2000107.3
138Y31.6Very low33.1Very low234 Ų234143 Ų14392%0.91879%0.79SS**  trans-156.5154.1137.3-112.5-74.5000113.8
139R33.8Very low33.4Very low224 Ų224148 Ų14885%0.84580%0.801SS**  trans-89.3165.7-164.6-91.2-179.9169.4-178.4-2.6115
140P35.2Very low33.5Very low131 Ų131148.7 Ų148.785%0.85181%0.805SS**  trans-85.7155.6170.836.1-35.3000114
141G33.5Very low33.7Very low72 Ų72149.1 Ų149.174%0.74280%0.802SS**  trans-173.1172.3164.800000107.8
142S33.4Very low33.7Very low98 Ų98152.6 Ų152.669%0.68581%0.807SS**  cis171.9110.2-13.5160.20000105.5
143M30.2Very low33.8Very low147 Ų147150.3 Ų150.372%0.72480%0.801SS**  trans68.1164157.3-58.8-155.5-61.100121.5
144Y34.8Very low33.8Very low203 Ų203154.9 Ų154.980%0.79681%0.812SS**  trans95.6105165.2-59.3-74.3000119.5
145L35.7Very low33.7Very low155 Ų155150.1 Ų150.181%0.81280%0.8SS**  trans-79.5153.8152.3-101139.1000109.7
146P38.7Very low33.8Very low127 Ų127152.6 Ų152.683%0.82580%0.799SS**  -141.2175.4118.336.2-22.5000114.7
147K31.5Very low33.9Very low204 Ų204155.5 Ų155.589%0.88780%0.799SS**  trans-106.2142177.4-59.3176.1178179.60111.8
148S36.1Very low33.9Very low112 Ų112155.1 Ų155.178%0.78380%0.798SS**  trans-168.7115.6150.848.80000107.8
149K34.2Very low34.4Very low195 Ų195152.8 Ų152.885%0.84880%0.798SS**  43.8116.686.8-78.9-158.8173.7-164.50114.2
150N36.9Very low34.5Very low164 Ų164148.7 Ų148.788%0.87779%0.793SS**  -163.6132.1129.9-94.4-9.4000110.2
151D33Very low34.6Very low142 Ų142147.8 Ų147.876%0.75979%0.79SS**  trans-88.6-178.1160.2-73.2-65.7000109.3
152H38.5Very low34.8Very low192 Ų192152.2 Ų152.289%0.88979%0.791SS**  trans75.8134.7-176.9-40.1-68.9000113.8
153G33.3Very low34.9Very low60 Ų60158.1 Ų158.162%0.61980%0.798SS**  cis106.4117.44.300000112.2
154F30.8Very low35.2Very low212 Ų212156.1 Ų156.193%0.9381%0.806SS**  trans67.3146175.7-70.9-75.4000114.7
155T32.9Very low35.3Very low107 Ų107149.6 Ų149.666%0.65680%0.8SS**  cis-154171.4-4.8-66.70000109.5
156E30.5Very low35.2Very low165 Ų165150.6 Ų150.677%0.77181%0.805SS**  trans-28.8151.7167.1-51.7157.6156.900119.7
157Q35.6Very low35.1Very low182 Ų182148.9 Ų148.985%0.8580%0.796SS**  163.6106.2122.7-87.8176.722.200108.8
158N31.5Very low35.3Very low131 Ų131148 Ų14870%0.70180%0.795SS**  66.7115.584.1-165.820000115.2
159M42.9Very low35.3Very low185 Ų185148.4 Ų148.491%0.91180%0.796SS**  trans-143130.5160.3-89.8-66-161.600108.9
160N34.7Very low35.5Very low139 Ų139144.3 Ų144.374%0.74379%0.789SS**  trans-79.5156.3-166.7-53.8-58.5000114.1
161S38.6Very low35.5Very low111 Ų111145.4 Ų145.478%0.77679%0.788SS**  -157.8151120.5-152.90000113.1
162E36.2Very low35.4Very low165 Ų165143.6 Ų143.677%0.77179%0.787SS**  trans-42.4164.9-177.8-45178.9145.300116.2
163R35.7Very low35.5Very low222 Ų222144 Ų14484%0.83879%0.786SS**  cis-171.9145.530.7-154.1171.1-172.7-154.73.5111.7
164A38Very low35.6Very low106 Ų106148.3 Ų148.388%0.87679%0.79SS**  trans55.5133.8161.500000119.8
165G35.5Very low35.8Very low66 Ų66144.8 Ų144.868%0.6878%0.781SS**  cis163.7152.9-700000111.9
166L34.9Very low35.8Very low175 Ų175145.9 Ų145.992%0.91678%0.782SS**  trans65.1144.6167.6-51.2171.2000116.2
167S35.5Very low35.8Very low92 Ų92142.3 Ų142.364%0.64378%0.776SS**  cis-171130.1-15.3460000109.6
168Q35Very low35.8Very low185 Ų185140.7 Ų140.786%0.86477%0.773SS**  trans53.3143.5151.9-64.2-178-49.900122
169P37.8Very low35.9Very low121 Ų121140 Ų14079%0.78677%0.773SS**  trans-90.6163.8169.438.4-34.8000112.3
170P38.2Very low35.3Very low108 Ų108133.8 Ų133.870%0.70176%0.757SS**  trans-142147.314334.8-18.5000116.3
171E36Very low35.2Very low187 Ų187137.7 Ų137.787%0.87476%0.763SS**  trans70.6121.3133.4-66.6172.7-174.300123.5
172S30.8Very low34.8Very low105 Ų105136.5 Ų136.573%0.73476%0.76SS**  trans-48.7140.8159.350.20000116.7
173K40.8Very low34.6Very low200 Ų200136 Ų13687%0.8777%0.768SS**  trans-135.9142.8140.4-69.1-176.7-178.1178.80107.8
174Q35.1Very low34.6Very low150 Ų150128.3 Ų128.370%0.70176%0.758SS**  cis163.4136.6-17.9-119.6-172.84.500103.5
175L35.7Very low34.7Very low139 Ų139129.2 Ų129.273%0.72875%0.753SS**  trans67.6137.6151.2-53.5168.2000116.8
176N33.4Very low34.6Very low129 Ų129135.2 Ų135.269%0.6976%0.763SS**  cis-149.6141.3-0.7-79.4-36.2000106
177S29.6Very low34.6Very low91 Ų91130 Ų13064%0.63675%0.751SS**  56.792.456.274.20000116.3
178N35.2Very low34.6Very low147 Ų147133.8 Ų133.879%0.78676%0.759SS**  trans-174.8130.7135.3-94.8-32.6000109.8
179T34.4Very low34.5Very low116 Ų116133 Ų13371%0.71275%0.753SS**  60.4117.477.5-43.40000109.9Y181T179-Y181 HydrophobicContact CG2-CE2 4.31Å
180G29.7Very low34.5Very low56 Ų56132.5 Ų132.558%0.57775%0.748SS**  cis140.7168.32800000106.9
181Y34Very low34.3Very low220 Ų220135.7 Ų135.786%0.86375%0.753SS**  trans67.7131.1177.9-47.1-84.6000114.6T179T179-Y181 HydrophobicContact CG2-CE2 4.31Å
182A28.6Very low34.1Very low87 Ų87132 Ų13272%0.71975%0.748SS**  cis85.4134.638.400000114.9
183V33.7Very low34.3Very low153 Ų153131.7 Ų131.793%0.92775%0.745SS**  trans94.1126.2166.6-172.60000118.7
184G35Very low34Very low62 Ų62128.9 Ų128.964%0.63974%0.739SS**  trans95.1136158.400000116.5
185T39.7Very low34Very low124 Ų124128.7 Ų128.776%0.76174%0.738SS**  cis-164.1141.9-2.912.20000109.8
186E33.3Very low33.6Very low192 Ų192131.4 Ų131.490%0.89774%0.739SS**  trans57.2134.1148.6-58.9174.9172.800120.4
187G36Very low33.6Very low65 Ų65130.9 Ų130.967%0.6774%0.741SS**  cis-150.1155.90.200000111.8
188Q34.6Very low33.6Very low173 Ų173131.5 Ų131.581%0.80875%0.745SS**  66.5128.799.7-83.3-1743.900114.7
189F33.3Very low33.5Very low168 Ų168129.6 Ų129.674%0.73774%0.743SS**  cis-149.1135.318.7-115.7-85.3000113.2
190V36.8Very low33.4Very low111 Ų111132.5 Ų132.567%0.67375%0.753SS**  trans49.3109.9137.5175.10000123
191H33.7Very low33.6Very low175 Ų175133 Ų13381%0.8176%0.758SS**  18.4156.4121.6-76.2-87.5000123.8
192S33.7Very low33.6Very low110 Ų110133.5 Ų133.577%0.76976%0.759SS**  trans88.2143.6157.6-50.90000115.3
193S35.2Very low34Very low97 Ų97136.3 Ų136.368%0.67876%0.762SS**  cis-174.1153.3-6.942.80000111.5
194L33.9Very low34Very low141 Ų141132.8 Ų132.874%0.73874%0.744SS**  trans62.6132.7146.5-92.880.8000121.7
195Q34.2Very low34.1Very low146 Ų146137.1 Ų137.168%0.68275%0.747SS**  trans69.3151.7142.5-66.5-173.316.400118.3
196R28Very low33.9Very low196 Ų196140.1 Ų140.174%0.7475%0.75SS**  cis179177.3-23.3-145.1-171.1-62.2-156.53.1103.5
197T34Very low33.9Very low119 Ų119136.5 Ų136.573%0.7375%0.746SS**  trans68.795.7165.767.40000120.9
198S28.4Very low33.8Very low104 Ų104139.8 Ų139.873%0.72775%0.753SS**  15.6132.8118.959.70000121.2
199S33.6Very low34Very low106 Ų106137 Ų13774%0.74175%0.75SS**  146.5148.3104.766.90000116.2
200L31.4Very low33.9Very low177 Ų177133.3 Ų133.393%0.92775%0.75SS**  trans50.5134.4146.1-10167000123.6
201G34.2Very low33.8Very low67 Ų67133.8 Ų133.869%0.69176%0.758SS**  trans122.7105.6151.400000113.3
202R34.9Very low33.7Very low231 Ų231132.9 Ų132.987%0.87276%0.759SS**  93.6139.760.9-88.5-164.5-176.1-169.94.2112.8
203N36.8Very low34Very low145 Ų145133 Ų13378%0.77576%0.758SS**  trans80.3154.6164.5-48.2-21.9000117.3
204S32.9Very low34Very low80 Ų80134.9 Ų134.956%0.55976%0.764SS**  -177.7161.5-54.744.50000110.9
205H37.3Very low33.8Very low152 Ų152135.7 Ų135.770%0.70477%0.769SS**  trans86.3120.9166.4-50.4-57.2000118.2
206K34.8Very low33.9Very low187 Ų187137.7 Ų137.781%0.81378%0.778SS**  68.7123.8104.3-61.4177.7177.1-178.40112.3
207S34.2Very low34Very low117 Ų117138.4 Ų138.482%0.81878%0.782SS**  cis-158.9177.349.2-60.30000113.4
208V33.8Very low34Very low134 Ų134138.4 Ų138.481%0.81279%0.787SS**  trans-142.3178.3-169.4-177.90000107.4
209P39.8Very low34.1Very low115 Ų115136.6 Ų136.675%0.74779%0.785SS**  -115.8-168.1-53.438.3-23.4000112.8
210A30.9Very low34.1Very low89 Ų89140 Ų14074%0.73679%0.794SS**  173.8163.8116.300000116
211S33.7Very low34.3Very low121 Ų121137 Ų13785%0.84679%0.785SS**  trans78.5108.7160.343.60000123.2
212N31.9Very low33.9Very low157 Ų157137.2 Ų137.284%0.8479%0.787SS**  trans-73.7-174.2145.4-100.5-14.2000110
213P40.3Very low33.7Very low113 Ų113133.7 Ų133.773%0.73478%0.784SS**  cis-150.5-163.624.128.90.3000118
214V34.9Very low33.3Very low135 Ų135130.7 Ų130.782%0.81877%0.774SS**  trans110.5142.7147-167.80000119.5
215L30.4Very low33.2Very low158 Ų158134.1 Ų134.183%0.82778%0.781SS**  trans-91.9160.3-172.5-61.1140.7000114.1
216Q35.5Very low32.8Very low189 Ų189133.9 Ų133.988%0.88379%0.785SS**  trans-166.6131.1130.1-112171.60.600116.8
217Y30.7Very low32.6Very low210 Ų210130 Ų13082%0.82478%0.782SS**  trans2.2153.5153.8-76.8-93.8000126.5
218S33Very low32.4Very low120 Ų120130 Ų13084%0.83978%0.777SS**  trans69.9146.4148.963.90000119.6
219G32.2Very low32.5Very low66 Ų66129.6 Ų129.668%0.6877%0.774SS**  cis165.1138.6-10.500000113.1
220L32.4Very low32.1Very low176 Ų176130.8 Ų130.892%0.92178%0.775SS**  trans62.6169.7170.7-69.9168.8000117.5
221P34.9Very low32.4Very low115 Ų115134.9 Ų134.975%0.74778%0.779SS**  cis-122.1178.6-11.335.8-19.4000114.1
222G26.7Very low32.3Very low71 Ų71135.4 Ų135.473%0.73277%0.768SS**  trans-139.2116.1162.400000111.7
223I30.9Very low32.4Very low158 Ų158136.4 Ų136.481%0.8177%0.765SS**  trans-178.8150.3171.832.4177.3000106
224S27.8Very low32.1Very low81 Ų81138.9 Ų138.957%0.56676%0.764SS**  cis-168.7176.2-9.851.10000110.7
225E32.2Very low32.2Very low152 Ų152138.9 Ų138.971%0.7177%0.767SS**  trans75.1115.1146.6-72154.5-110.800124.2
226N28Very low32.1Very low147 Ų147136.8 Ų136.879%0.78676%0.757SS**  60.4116.1123.4-53.8-15.4000122.1
227S31.6Very low32Very low107 Ų107134.8 Ų134.875%0.74875%0.751SS**  170.4123.386.4-1660000114.5
228T28.9Very low31.8Very low117 Ų117132.1 Ų132.172%0.71875%0.746SS**  trans29129.4137.9-19.70000122.6
229V35.4Very low31.6Very low124 Ų124135.5 Ų135.575%0.75274%0.742SS**  172.8116.1114.9157.70000113.7
230N33.1Very low31.3Very low141 Ų141136.2 Ų136.275%0.75474%0.736SS**  trans60.1149.8145.5-67.6-3.2000128.2
231E36Very low31.2Very low175 Ų175136.6 Ų136.682%0.81873%0.733SS**  trans71.9140163.9-58.7-161.4-179.400120.4
232Q32.8Very low30.8Very low132 Ų132139.9 Ų139.962%0.61774%0.739SS**  cis-163.1159.7-26.1-168.1166.1-54.200109.8
233F33.2Very low31Very low178 Ų178145.4 Ų145.478%0.78175%0.747SS**  trans88.495166-65.7-74.8000121.9
234K34.5Very low30.7Very low164 Ų164144.6 Ų144.671%0.71375%0.75SS**  32.2143.8122.9-86-171.4175.2-173.40121.3D236K234-D236 HydrophobicContact CG-CB 4.48Å
235P35.7Very low31Very low135 Ų135146.6 Ų146.688%0.87776%0.759SS**  cis-124179.547.740.6-29.1000116.3
236D28.9Very low30.8Very low115 Ų115148 Ų14862%0.61577%0.765SS**  trans-145.6172.2-148-158.5-6.8000111.6K234K234-D236 HydrophobicContact CG-CB 4.48Å
237L32.9Very low30.8Very low147 Ų147148.7 Ų148.777%0.7777%0.766SS**  trans84106.1163-67.6152.3000120.6
238Q27Very low30.9Very low154 Ų154150.2 Ų150.272%0.7277%0.766SS**  trans-58.4161.7145.6-52.8163.9-69.400111.1
239Y27.9Very low30.9Very low191 Ų191155.3 Ų155.375%0.74977%0.774SS**  -178153.6103.3-111.5-90.2000113.1
240S27Very low31.2Very low80 Ų80154.6 Ų154.656%0.55977%0.771SS**  trans-67.7159.8172550000113.3
241H30.4Very low31.5Very low184 Ų184155.7 Ų155.785%0.85277%0.772SS**  -162.7145.2121.7-90.1-52.4000112.3
242Q27Very low31.7Very low185 Ų185156 Ų15686%0.86477%0.766SS**  trans-72145.1166.5-62.7170.1-9.600109.6
243M29.8Very low31.9Very low186 Ų186155.4 Ų155.492%0.91677%0.766SS**  trans-153.5128139.2-84.6-137-172.200110.4
244T25.7Very low32.5Very low141 Ų141152.3 Ų152.387%0.86575%0.754SS**  trans-79.5136168.741.90000110.7
245T32.3Very low33Very low124 Ų124150.2 Ų150.276%0.76175%0.747SS**  trans-139.1115.1162-35.10000109.5
246Q29Very low33.5Very low180 Ų180148.4 Ų148.484%0.84173%0.726SS**  trans-59.1134.8161.9-63.6173.8-6.600108.5
247M27.8Very low34.2Very low162 Ų162149.6 Ų149.680%0.79873%0.728SS**  trans-151136.5151.2-77.7-49.6-68.700110.4
248D33.9Very low34.8Very low140 Ų140147.6 Ų147.675%0.74972%0.715SS**  trans-24.9145.5-171-69-61000122.7
249Y28.3Very low35.4Very low224 Ų224149.6 Ų149.688%0.87872%0.716SS**  trans-55.3127.5161.2-99.4-100.7000111.4Q251Y249-Q251 PolarHBondContact O-N 3.19Å
250P42.5Very low35.8Very low108 Ų108147.5 Ų147.570%0.70172%0.717SS**  trans-68108168.626.6-31.7000110.2W252P250-W252 PolarHBondContact O-N 3.13Å
251Q39.6Very low36.1Very low164 Ų164150.9 Ų150.977%0.76672%0.724SS**THydrogen-bonded Turntrans-51.8-5.8-178.1-154.817313.400116Y249 L253 H254 H255Y249-Q251 PolarHBondContact O-N 3.19Å; Q251-L253 PolarHBondContact O-N 3.17Å; Q251-H254 WeakPolarHBondContact O-CB 3.46Å; Q251-H254 PolarHBondContact O-N 2.88Å; Q251-H255 PolarHBondContact O-N 2.91Å
252W39.4Very low36.3Very low181 Ų181148 Ų14869%0.68672%0.721SS**Hα-helixtrans-65.6-32.8-177.8-177.766.6000114.1P250 H254 H255 Q256P250-W252 PolarHBondContact O-N 3.13Å; W252-H254 PolarHBondContact O-N 3.42Å; W252-H255 WeakPolarHBondContact O-CB 3.35Å; W252-H255 PolarHBondContact O-N 2.98Å; W252-H255 VanDerWaalsContact O-N 3.14Å; W252-Q256 PolarHBondContact O-N 2.72Å
253L37.3Very low36.8Very low120 Ų120144.7 Ų144.763%0.62872%0.719SS**Hα-helixtrans-67.6-27.8178-142.976.6000112.1Q251 Q257Q251-L253 PolarHBondContact O-N 3.17Å; L253-Q257 PolarHBondContact O-N 3.08Å
254H44.9Very low37Very low114 Ų114144.6 Ų144.653%0.52872%0.716SS.*Hα-helixtrans-72.8-34.8173.5-138.886.7000111.5Q251 W252 Q256 Q257 Q258Q251-H254 WeakPolarHBondContact O-CB 3.46Å; Q251-H254 PolarHBondContact O-N 2.88Å; W252-H254 PolarHBondContact O-N 3.42Å; H254-Q256 VanDerWaalsContact C-N 3.35Å; H254-Q256 PolarHBondContact O-N 2.8Å; H254-Q257 PolarHBondContact O-N 3.23Å; H254-Q258 PolarHBondContact CD2-NE2 3.37Å; H254-Q258 WeakPolarHBondContact O-CB 3.49Å; H254-Q258 WeakPolarHBondContact O-CG 3.49Å; H254-Q258 PolarHBondContact O-N 3.48Å
255H45.6Very low37.5Very low120 Ų120144 Ų14456%0.55671%0.714SS**Hα-helixtrans-68.4-26.9176.8-109.165.2000114.1Q251 W252Q251-H255 PolarHBondContact O-N 2.91Å; W252-H255 WeakPolarHBondContact O-CB 3.35Å; W252-H255 PolarHBondContact O-N 2.98Å; W252-H255 VanDerWaalsContact O-N 3.14Å
256Q45.6Very low37.6Very low97 Ų97147.2 Ų147.245%0.45372%0.721SS.*Hα-helixtrans-78.6-35172.4-84.7-84.8-24.800112.2W252 H254W252-Q256 PolarHBondContact O-N 2.72Å; H254-Q256 VanDerWaalsContact C-N 3.35Å; H254-Q256 PolarHBondContact O-N 2.8Å
257Q45.1Very low37.7Very low139 Ų139147.1 Ų147.165%0.6572%0.72SS**Hα-helixtrans-77-29.2175.9-72.2-176.2-2.800113.4L253 H254 R259 L260L253-Q257 PolarHBondContact O-N 3.08Å; H254-Q257 PolarHBondContact O-N 3.23Å; Q257-R259 VanDerWaalsContact C-N 3.34Å; Q257-R259 PolarHBondContact O-N 3.16Å; Q257-L260 PolarHBondContact O-N 2.85Å
258Q45.8Very low37.9Very low106 Ų106146 Ų14650%0.49572%0.722SS.*Hα-helixtrans-72-22.3175-77.3-178.6-17.800113.9H254 L260 Q261H254-Q258 PolarHBondContact CD2-NE2 3.37Å; H254-Q258 WeakPolarHBondContact O-CB 3.49Å; H254-Q258 WeakPolarHBondContact O-CG 3.49Å; H254-Q258 PolarHBondContact O-N 3.48Å; Q258-L260 PolarHBondContact O-N 3.01Å; Q258-Q261 PolarHBondContact O-N 2.95Å
259R38.4Very low37.7Very low196 Ų196145.8 Ų145.874%0.7472%0.72SS**THydrogen-bonded Turntrans-76.86.6173.1-71.2-152.5-64.1-174.5-0114.7Q257Q257-R259 VanDerWaalsContact C-N 3.34Å; Q257-R259 PolarHBondContact O-N 3.16Å
260L37.4Very low37.9Very low147 Ų147141.4 Ų141.477%0.7771%0.712SS**THydrogen-bonded Turntrans-110.712.8172.7-73.2165.3000113Q257 Q258Q257-L260 PolarHBondContact O-N 2.85Å; Q258-L260 PolarHBondContact O-N 3.01Å
261Q32.8Very low37.4Very low151 Ų151144.5 Ų144.571%0.70672%0.717SS**SBendtrans-83.1129.5166.1-73.1-160.33.600111.3Q258 S263Q258-Q261 PolarHBondContact O-N 2.95Å; Q261-S263 PolarHBondContact O-N 3.47Å; Q261-S263 VanDerWaalsContact O-N 3.16Å
262P34.4Very low36.9Very low123 Ų123142.1 Ų142.180%0.79972%0.716SS**  trans-78.195.7171.531.7-32.1000109.6Q264P262-Q264 PolarHBondContact O-N 3.41Å
263S36.6Very low36.5Very low115 Ų115141.5 Ų141.580%0.80472%0.724SS**  trans-68.6120.7164.130.70000109.2Q261Q261-S263 PolarHBondContact O-N 3.47Å; Q261-S263 VanDerWaalsContact O-N 3.16Å
264Q35.6Very low36.3Very low185 Ų185144.3 Ų144.386%0.86473%0.734SS**  trans-62.3133.9-178.2-63.5175.5-74.200110.8P262 Q266P262-Q264 PolarHBondContact O-N 3.41Å; Q264-Q266 PolarHBondContact O-N 3.16Å
265P35.8Very low35.6Very low127 Ų127147.3 Ų147.383%0.82575%0.748SS**  trans-74.4107.7164.430.2-30.1000108.4
266Q34Very low34.8Very low192 Ų192148.5 Ų148.590%0.89776%0.757SS**  trans-79.1128.2169.8-164.11664.700108.9Q264Q264-Q266 PolarHBondContact O-N 3.16Å
267E30.3Very low34.1Very low179 Ų179151.6 Ų151.684%0.83677%0.771SS**  trans-69.3126.5-172.8-56.3173.113500111.9
268T32.4Very low33.4Very low137 Ų137149.3 Ų149.384%0.8477%0.771SS**  trans-145.4102.1144.2-54.60000111.1
269I31.1Very low32.7Very low137 Ų137152 Ų15270%0.70379%0.788SS**  trans-23.7121.5157-63151.1000115.3
270N31.2Very low32.3Very low132 Ų132151 Ų15171%0.70679%0.791SS**  177.6117.8115-97.9-49.1000115.9
271Q32.6Very low32.1Very low173 Ų173149.3 Ų149.381%0.80879%0.791SS**  trans58.2137.7138.3-57.2-112.513.600122.1
272P28.8Very low32Very low114 Ų114147.7 Ų147.774%0.7480%0.797SS**  trans-102.8145-179.338.5-31.5000113.8
273I31.1Very low31.8Very low167 Ų167145 Ų14586%0.85679%0.791SS**  trans-131.8128.5159.4-66.6-175.4000110.5
274Q32.4Very low31.6Very low179 Ų179151.3 Ų151.384%0.83680%0.797SS**  trans-75.2140.2170.3-53.9164.419.800109.4
275Q31.3Very low31.4Very low177 Ų177148.5 Ų148.583%0.82779%0.793SS**  trans-154.2120.4140-121.31673.900113.6
276I27.7Very low31.1Very low145 Ų145151.5 Ų151.574%0.74479%0.793SS**  trans-84.5122.4166.9-63.1160.3000107.1
277H31.1Very low31.1Very low163 Ų163147.9 Ų147.976%0.75579%0.787SS**  trans-156.1109.5148.8-81-55.6000107.9
278S30.9Very low31Very low91 Ų91147.3 Ų147.364%0.63678%0.784SS**  71.1102.382.6-59.40000113.6
279L31.6Very low31Very low162 Ų162148.2 Ų148.285%0.84878%0.784SS**  trans-168.691.1154.5-99.2160.7000107.5
280H30.1Very low31Very low176 Ų176146.6 Ų146.682%0.81578%0.781SS**  71111.997.9-79.6-131.4000115.9
281S32.3Very low31Very low110 Ų110146.8 Ų146.877%0.76979%0.786SS**  trans-164.2122.2132.7-162.70000112.7
282S31.8Very low31.1Very low117 Ų117143.3 Ų143.382%0.81879%0.787SS**  trans48.9124.3156.758.10000120.8
283G30.2Very low31Very low66 Ų66143.1 Ų143.168%0.6879%0.788SS**  cis172.9175.3-2.700000115.1
284W30.9Very low31.1Very low248 Ų248140.3 Ų140.394%0.93978%0.783SS**  trans80.7149.9172.7-55.4108.3000119
285T31.9Very low31Very low126 Ų126139.4 Ų139.477%0.77378%0.779SS**  trans-144.2164.8-132.239.40000115.9
286F29.1Very low31.1Very low190 Ų190136.9 Ų136.983%0.83378%0.776SS**  trans-59169.1177.7-92.6-94.2000116.7
287P34.4Very low31.4Very low117 Ų117137 Ų13776%0.7677%0.773SS**  -125.6125.7107.735.5-29.9000111.3
288Q29.2Very low31.2Very low167 Ų167134 Ų13478%0.7877%0.771SS**  55.2108.173.3-79.3-156.1-4.800116.3
289N31.5Very low31.3Very low156 Ų156135.7 Ų135.783%0.83478%0.782SS**  trans-161.1148.7135.8-99.4-32.5000108.2
290T31.5Very low31.3Very low103 Ų103132.3 Ų132.363%0.63278%0.778SS**  cis-170130.5-30.1-97.70000106
291V30.1Very low31.6Very low136 Ų136129.9 Ų129.982%0.82478%0.777SS**  trans38.2124.7147-172.30000117.7
292A34.5Very low31.6Very low100 Ų100131.2 Ų131.283%0.82678%0.776SS**  -161.7156.273.900000116.1
293S27.9Very low31.7Very low109 Ų109131 Ų13176%0.76277%0.766SS**  trans-118142.4172.6175.10000110.4
294S33.6Very low31.8Very low108 Ų108134.9 Ų134.976%0.75577%0.766SS**  trans176.8119.6155.2-78.90000105.9
295Q29.4Very low31.9Very low160 Ų160129.3 Ų129.375%0.74876%0.76SS**  55.1114.661.1-147170.15.200109.8
296V33.7Very low32Very low125 Ų125127.7 Ų127.776%0.75875%0.753SS**  -175.313297.1149.70000110.4
297H32.9Very low32Very low146 Ų146123.6 Ų123.668%0.67675%0.747SS**  trans29.6127.8146.7-62.4-78.8000125
298S27.2Very low32Very low102 Ų102127.4 Ų127.471%0.71375%0.748SS**  53.4120.8120.6-48.60000122
299S34.4Very low32.1Very low126 Ų126126 Ų12688%0.88175%0.745SS**  169.5149.8107.645.10000112.5
300A29.9Very low32.2Very low91 Ų91123 Ų12375%0.75274%0.737SS**  trans-106.4162.7170.200000110
301P37.6Very low32.1Very low125 Ų125123.2 Ų123.281%0.81274%0.743SS**  -150.6133120.633-14.2000117.3
302N32.9Very low32Very low137 Ų137121.1 Ų121.173%0.73373%0.734SS**  53.9144.8121-118.85.6000125.2
303N32.9Very low31.8Very low114 Ų114126.4 Ų126.461%0.6173%0.734SS**  trans73.3148.4148.2-68.5-15.5000120.4
304Q31.8Very low32Very low147 Ų147128.3 Ų128.369%0.68774%0.736SS**  cis-171.6167-20.3-118177.151.200109.4
305T33.2Very low32.1Very low131 Ų131127.9 Ų127.980%0.80473%0.73SS**  trans63.4157160.648.10000118.1
306S34.1Very low32.1Very low92 Ų92124 Ų12464%0.64373%0.726SS**  cis-156.8127.66.6134.80000108.4
307C28.4Very low31.8Very low103 Ų103125.1 Ų125.170%0.69673%0.727SS**  86.9156.898.7-56.10000117.2
308Y35.2Very low31.8Very low197 Ų197125.3 Ų125.377%0.77373%0.733SS**  trans80.1107.5174.9-61.8-82.3000116.6
309N31.6Very low31.9Very low137 Ų137127 Ų12773%0.73374%0.739SS**  82135.370.7-7812.7000112
310S32.9Very low31.8Very low94 Ų94124.1 Ų124.166%0.65773%0.729SS**  cis-166.1156.9-2.8-85.90000109.7
311S29.7Very low31.7Very low108 Ų108127.8 Ų127.876%0.75573%0.731SS**  trans56.6150134.8-176.90000121.2
312S28.2Very low31.1Very low92 Ų92130.3 Ų130.364%0.64373%0.729SS**  cis-174.9-176.6-20.3-760000106.7
313Y29.4Very low31Very low211 Ų211131.5 Ų131.583%0.82773%0.732SS**  trans80.395.8162.2-72.1-79.2000119.8
314N33.8Very low30.6Very low149 Ų149135.5 Ų135.580%0.79775%0.745SS**  -94.2146.7128.7-167.6-2.7000106.3
315P35.2Very low30.6Very low99 Ų99134.2 Ų134.264%0.64375%0.747SS**  -158.8172.8101.941.4-21.9000117.7
316A28.3Very low30.7Very low78 Ų78134.1 Ų134.165%0.64575%0.746SS**  trans80.4115.1139.700000123
317N28.1Very low30.7Very low148 Ų148134.7 Ų134.779%0.79175%0.747SS**  44.7117.1123.1-59.7-2.2000122.4
318N32.8Very low31.2Very low150 Ų150135.4 Ų135.480%0.80275%0.751SS**  -170.5128.9116.7-91.1-39.6000107.1
319V28.5Very low31Very low138 Ų138132.5 Ų132.584%0.83675%0.754SS**  66.5120.262.1-176.20000112.2
320G32.2Very low31.1Very low65 Ų65132.6 Ų132.667%0.6776%0.759SS**  trans131.591.5-177.900000110.8
321E28.5Very low31Very low168 Ų168131.8 Ų131.879%0.78576%0.758SS**  97.5131.267.6-89.3-156.4144.500113.5
322F25.6Very low31.2Very low178 Ų178133.5 Ų133.578%0.78176%0.759SS**  trans47.7125.9152.3-74-87.8000119.5
323M30.1Very low31.4Very low162 Ų162136.7 Ų136.780%0.79877%0.767SS**  -165152.650.3-74.5-165.672.800112.9
324F24.8Very low31.5Very low198 Ų198129.7 Ų129.787%0.86876%0.759SS**  trans-82.3141.5159.8-98.7-101000110.9
325T31.7Very low31.5Very low120 Ų120130 Ų13074%0.73676%0.761SS**  trans-146.6116.9157.7-45.80000111.5
326V34.7Very low31.3Very low130 Ų130130.9 Ų130.979%0.78876%0.764SS**  trans-119.6137163.2-178.70000107.3
327P34.3Very low31.5Very low103 Ų103132.4 Ų132.467%0.66977%0.77SS**  trans-148.7177.5146.640.5-24.1000113.3
328P39.1Very low31.7Very low119 Ų119130.1 Ų130.177%0.77377%0.766SS**  -137.9178-57.240.7-24.6000113.7
329T31.4Very low31.6Very low136 Ų136131 Ų13183%0.83477%0.766SS**  trans-85.3149.2178-480000114.1
330V34.7Very low31.8Very low138 Ų138130.3 Ų130.384%0.83676%0.763SS**  trans-152.4153.1162.2-171.40000108.8
331A30.5Very low31.7Very low77 Ų77130.5 Ų130.564%0.63677%0.765SS**  cis-171.5171.6-46.100000108.7
332N33.2Very low31.9Very low145 Ų145128.7 Ų128.778%0.77577%0.766SS**  trans90.6125.6175.3-65.8-5.2000117.4
333I31.7Very low32Very low158 Ų158127.5 Ų127.581%0.8177%0.766SS**  cis119.6131.914-78.8169.7000110
334G32.5Very low32.1Very low65 Ų65125.4 Ų125.467%0.6777%0.765SS**  trans96.1134.1166.900000115
335D33.7Very low32.5Very low154 Ų154123.9 Ų123.982%0.82476%0.76SS**  cis-156.9178.4-9.5-136.4-39.2000112.3
336T30.9Very low32.1Very low118 Ų118123.2 Ų123.272%0.72476%0.76SS**  trans-95179.2-157.757.90000116.9
337S31.4Very low31.9Very low110 Ų110126.8 Ų126.877%0.76976%0.761SS**  trans87147.1159.286.30000117.9
338S33.1Very low31.5Very low100 Ų100129.1 Ų129.170%0.69977%0.766SS**  cis-166.6170-20.451.10000111.5
339Q31Very low31Very low170 Ų170130.7 Ų130.779%0.79477%0.767SS**  trans80.9111.7164.7-61.9-61.5-1900120.1
340P32.1Very low30.7Very low122 Ų122130 Ų13079%0.79276%0.763SS**  trans-95.3164.6161.238.4-31.7000112
341G30.9Very low30.5Very low69 Ų69129 Ų12971%0.71176%0.759SS**  trans-169.6117.7173.700000117.8
342V32.7Very low30.5Very low131 Ų131133.1 Ų133.179%0.79477%0.771SS**  trans59.195.6142.5-164.80000116.8
343I27.9Very low30.2Very low153 Ų153133.8 Ų133.879%0.78577%0.773SS**  73.4128.280.2-65.8170.7000113.6
344P32.7Very low29.9Very low118 Ų118130.6 Ų130.677%0.76677%0.77SS**  trans-91.5157-172.437.2-36.8000113.9
345Q31.8Very low29.6Very low165 Ų165132 Ų13277%0.77177%0.769SS**  trans-140.5136.9156.9-77.2-161.6-11.100113.1
346S24.1Very low29.4Very low106 Ų106133.2 Ų133.274%0.74177%0.768SS**  trans-83.7134.8171.449.90000111.6
347Y30.7Very low29.7Very low206 Ų206133.1 Ų133.181%0.80877%0.769SS**  trans-137.5136.2154.6-81.1-74.8000112.3
348I24.7Very low29.5Very low152 Ų152136.6 Ų136.678%0.77977%0.767SS**  trans-82.9161173.3-64.9159.1000108.4
349L28.4Very low29.4Very low152 Ų152136.3 Ų136.380%0.79677%0.765SS**  trans145.899.4147.2-77.4162000109.5
350T25.9Very low29.4Very low121 Ų121136 Ų13674%0.74276%0.763SS**  77147.810132.50000116.1
351P31.5Very low29.5Very low117 Ų117136 Ų13676%0.7676%0.761SS**  trans-89.4166.6-161.637.6-37.6000112.9
352D30.6Very low29.3Very low164 Ų164137.5 Ų137.588%0.87776%0.761SS**  trans-146.5149.7158.6-133.8-26.2000114
353I25Very low29.2Very low158 Ų158138 Ų13881%0.8176%0.755SS**  trans-124.2115.4-173.8-63.9168.7000108.8
354A27Very low29.3Very low91 Ų91140.6 Ų140.675%0.75276%0.755SS**  trans176.9154.7161.700000110.8
355S26.4Very low29.2Very low94 Ų94141.3 Ų141.366%0.65776%0.756SS**  cis-172.8129.3-18-98.60000110.6
356F29.1Very low29Very low181 Ų181139.2 Ų139.279%0.79476%0.76SS**  trans61.4170.3145-75-75000119.4
357P35.8Very low29.1Very low116 Ų116137.7 Ų137.775%0.75376%0.761SS**  cis-133.3154.813.741.8-23.7000119.8
358Y28.4Very low29.1Very low183 Ų183134.3 Ų134.372%0.71876%0.764SS**  trans42128.8141.4-103.8-110.6000121.1
359S31.6Very low29.2Very low94 Ų94132.3 Ų132.366%0.65776%0.763SS**  -170.5140.966.6-64.60000114.5
360Q31.2Very low29.1Very low162 Ų162131.6 Ų131.676%0.75777%0.766SS**  trans44.9135.6138.6-62179.4-1.400120.3
361T32.5Very low29Very low123 Ų123133.9 Ų133.976%0.75577%0.768SS**  cis-165.316016.12.20000111.8
362S28.1Very low28.8Very low101 Ų101134.3 Ų134.371%0.70677%0.771SS**  trans11.7148.1154.3-70.90000122.2
363E30.8Very low28.6Very low142 Ų142131.7 Ų131.766%0.66476%0.76SS**  cis-164.4160.17.7-130.2177.2-108.900112.4
364R29.9Very low28.7Very low207 Ų207131.4 Ų131.478%0.78176%0.755SS**  trans66.8105.2155.7-64.3-171.7-153.9-153.63.5123.8
365V29Very low28.7Very low133 Ų133135.1 Ų135.181%0.80676%0.757SS**  69.3129.4114.5174.60000121.4
366S27.9Very low28.8Very low120 Ų120136.3 Ų136.384%0.83977%0.765SS**  trans83.2122.4165-67.20000119.2
367G26.3Very low28.6Very low74 Ų74136.6 Ų136.676%0.76377%0.769SS**  trans-80.2-161.5176.600000114.4
368P31Very low28.2Very low135 Ų135139.1 Ų139.188%0.87778%0.775SS**  cis-139.2-160.629.443.3-24.5000115.2
369S26.3Very low28.4Very low110 Ų110136.8 Ų136.877%0.76978%0.775SS**  trans10778.4159.7-170.20000118.3
370T27.1Very low28.1Very low138 Ų138139 Ų13985%0.84779%0.787SS**  trans-80.8117.1164.9-23.20000111.4
371Q24.1Very low28Very low169 Ų169134.6 Ų134.679%0.7979%0.785SS**  trans-80.6150.3152.4-78.8-175.5-41.100109.1
372P27.7Very low27.8Very low125 Ų125135.2 Ų135.281%0.81279%0.789SS**  trans-121.5128.6142.112.56.9000111.6
373V26Very low27.8Very low109 Ų109136.3 Ų136.366%0.66179%0.792SS**  trans-76.4145.8160.7174.80000107.9
374H27.3Very low27.5Very low153 Ų153136.4 Ų136.471%0.70880%0.802SS**  170133.3125.7-98.4-93.1000114.4
375Q25.6Very low27.4Very low168 Ų168134.1 Ų134.179%0.78580%0.804SS**  trans44.8111.6149-69.1174-8.100121.4
376S29.1Very low27.4Very low119 Ų119135 Ų13583%0.83280%0.8SS**  -154.3116.3119.1-82.60000110.1
377Q25.4Very low27.3Very low187 Ų187135.6 Ų135.687%0.87480%0.8SS**  trans-76.7125.7169.7-64.1177.87.700108.4
378L27.8Very low27.4Very low169 Ų169139.3 Ų139.389%0.88580%0.798SS**  trans-113.9125.4165-86.3165.1000109.2
379L31.2Very low27.4Very low134 Ų134138.8 Ų138.870%0.70279%0.792SS**  trans-65.8151.4-165.7-83.463.6000112.9G381L379-G381 PolarHBondContact O-N 2.68Å
380P26Very low27.6Very low141 Ų141137.9 Ų137.992%0.91679%0.791SS**THydrogen-bonded Turntrans-70.1100.8167.930.2-32.9000109.9
381G28.8Very low27.9Very low70 Ų70135.7 Ų135.772%0.72277%0.773SS**THydrogen-bonded Turntrans-178.8-13178.600000117.4L379 T383L379-G381 PolarHBondContact O-N 2.68Å; G381-T383 PolarHBondContact O-N 2.86Å
382T28.8Very low28.4Very low136 Ų136133.7 Ų133.783%0.83477%0.772SS**  trans-86.899.2-176.9450000112.3V384T382-V384 PolarHBondContact O-N 2.64Å
383T27.7Very low29Very low124 Ų124129 Ų12976%0.76174%0.742SS**  trans-65127.3168.435.60000110.7G381 L385G381-T383 PolarHBondContact O-N 2.86Å; T383-L385 PolarHBondContact O-N 3.37Å
384V24.7Very low29.6Very low144 Ų144130.4 Ų130.487%0.87375%0.75SS**  trans-64.9107.1173.9177.90000109.1T382T382-V384 PolarHBondContact O-N 2.64Å
385L28.4Very low30.6Very low158 Ų158126.5 Ų126.583%0.82773%0.734SS**PPolyproline II helixtrans-69133.8173.1-72.9170000110.1T383T383-L385 PolarHBondContact O-N 3.37Å
386Q27.8Very low32.1Very low153 Ų153123 Ų12372%0.71573%0.726SS**PPolyproline II helixtrans-68.8149.6175.6-69-178.5-900110.8Q388Q386-Q388 PolarHBondContact O-N 2.8Å
387P25.7Very low33.7Very low132 Ų132123.7 Ų123.786%0.85772%0.716SS**PPolyproline II helixtrans-69.5117177.929.1-33.7000110
388Q29.4Very low35.4Very low151 Ų151118.4 Ų118.471%0.70669%0.693SS**  trans-122.6123.4177.8-69-174.9-0.600110.7Q386Q386-Q388 PolarHBondContact O-N 2.8Å
389V31.5Very low36.8Very low124 Ų124114.3 Ų114.375%0.75267%0.672SS**  trans64.6106.2168.4-165.10000116.6
390A30.3Very low38.1Very low91 Ų91114.6 Ų114.675%0.75267%0.667SS**  trans-80.4122.9161.700000109.7V392A390-V392 PolarHBondContact O-N 3.28Å
391I32.2Very low39.7Very low92 Ų92109.2 Ų109.247%0.47264%0.635SS.*  trans-79.7110.3174.6-50.6178.6000108.4T393 L412I391-T393 HydrophobicContact CG2-CG2 3.58Å; I391-T393 PolarHBondContact O-N 3.06Å; I391-L412 HydrophobicContact CD1-CD1 4.05Å
392V36Very low41.3Very low127 Ų127108.9 Ų108.977%0.7762%0.616SS**  trans-8584.9169.5-177.30000108.2A390 V394A390-V392 PolarHBondContact O-N 3.28Å; V392-V394 PolarHBondContact O-N 2.75Å
393T39.5Very low42.8Very low28 Ų28108.9 Ų108.917%0.17261%0.61CS.*  trans-74.5111.1172.257.90000109.3I391 D395 I398 L399 I402I391-T393 HydrophobicContact CG2-CG2 3.58Å; I391-T393 PolarHBondContact O-N 3.06Å; T393-D395 PolarHBondContact O-N 3.4Å; T393-I398 HydrophobicContact CG2-CB 4.39Å; T393-I398 HydrophobicContact CG2-CG2 3.76Å; T393-L399 VanDerWaalsContact OG1-CD1 3.26Å; T393-L399 WeakPolarHBondContact OG1-CD1 3.32Å; T393-I402 HydrophobicContact CG2-CD1 3.79Å
394V39.4Very low44.5Very low138 Ų138106.9 Ų106.984%0.83660%0.601SS**  trans-74.2-17.1177.4-149.10000112V392V392-V394 PolarHBondContact O-N 2.75Å
395D46.5Very low45.6Very low70 Ų70103 Ų10337%0.37459%0.59SS.*  trans-85.8121.1179.4-171.4-19.3000111.3T393 E397 I398 L399T393-D395 PolarHBondContact O-N 3.4Å; D395-E397 VanDerWaalsContact C-N 3.29Å; D395-E397 PolarHBondContact O-N 3.28Å; D395-E397 WeakPolarHBondContact OD1-CB 3.15Å; D395-E397 PolarHBondContact OD1-N 3.15Å; D395-I398 HydrophobicContact CB-CB 4.23Å; D395-I398 HydrophobicContact CB-CD1 3.89Å; D395-I398 HydrophobicContact CB-CG1 3.9Å; D395-I398 PolarHBondContact O-N 3.18Å; D395-L399 PolarHBondContact O-N 3.02Å; D395-L399 VanDerWaalsContact O-N 3.08Å
396P58.3Low46.7Very low96 Ų9699.4 Ų99.462%0.62358%0.583SS**Hα-helixtrans-64.5-27.8176.227.9-35.6000113.6K400P396-K400 WeakPolarHBondContact O-CB 3.4Å; P396-K400 PolarHBondContact O-N 2.84Å
397E62.2Low47.6Very low133 Ų13396.2 Ų96.262%0.62157%0.567SS**Hα-helixtrans-67.3-45.7176.9-70.6-81118.700110.6D395 K400 A401D395-E397 VanDerWaalsContact C-N 3.29Å; D395-E397 PolarHBondContact O-N 3.28Å; D395-E397 WeakPolarHBondContact OD1-CB 3.15Å; D395-E397 PolarHBondContact OD1-N 3.15Å; E397-K400 WeakPolarHBondContact O-CB 3.22Å; E397-K400 PolarHBondContact O-N 2.85Å; E397-A401 PolarHBondContact O-N 2.65Å
398I61Low48.6Very low76 Ų7694.5 Ų94.539%0.3955%0.551SS.*Hα-helixtrans-67.7-41.8178.4-54.1178.1000110.5T393 D395 K400 A401 I402T393-I398 HydrophobicContact CG2-CB 4.39Å; T393-I398 HydrophobicContact CG2-CG2 3.76Å; D395-I398 HydrophobicContact CB-CB 4.23Å; D395-I398 HydrophobicContact CB-CD1 3.89Å; D395-I398 HydrophobicContact CB-CG1 3.9Å; D395-I398 PolarHBondContact O-N 3.18Å; I398-K400 VanDerWaalsContact C-N 3.25Å; I398-K400 PolarHBondContact O-N 3.47Å; I398-A401 PolarHBondContact O-N 3.1Å; I398-I402 HydrophobicContact CG2-CD1 4Å; I398-I402 WeakPolarHBondContact O-CG1 3.1Å; I398-I402 PolarHBondContact O-N 3.02Å
399L57.4Low49.3Very low83 Ų8391.1 Ų91.144%0.43554%0.54SS..Hα-helixtrans-59-39.6174.1-16397.6000111T393 D395 I402 L403T393-L399 VanDerWaalsContact OG1-CD1 3.26Å; T393-L399 WeakPolarHBondContact OG1-CD1 3.32Å; D395-L399 PolarHBondContact O-N 3.02Å; D395-L399 VanDerWaalsContact O-N 3.08Å; L399-I402 PolarHBondContact O-N 2.85Å; L399-L403 HydrophobicContact CD2-CD1 3.88Å; L399-L403 HydrophobicContact CG-CD1 3.96Å; L399-L403 VanDerWaalsContact O-CB 3.31Å; L399-L403 WeakPolarHBondContact O-CB 3.49Å; L399-L403 WeakPolarHBondContact O-CG 3.23Å; L399-L403 PolarHBondContact O-N 2.81Å
400K59.6Low50Low140 Ų14092.4 Ų92.461%0.60954%0.538SS*.Hα-helixtrans-69.8-36.3177.2-162.1-179.4-172.6-172.20112.3P396 E397 I398 S404P396-K400 WeakPolarHBondContact O-CB 3.4Å; P396-K400 PolarHBondContact O-N 2.84Å; E397-K400 WeakPolarHBondContact O-CB 3.22Å; E397-K400 PolarHBondContact O-N 2.85Å; I398-K400 VanDerWaalsContact C-N 3.25Å; I398-K400 PolarHBondContact O-N 3.47Å; K400-S404 WeakPolarHBondContact O-CB 3.35Å; K400-S404 PolarHBondContact O-N 3.36Å; K400-S404 PolarHBondContact O-OG 3.22Å
401A59.6Low50.5Low28 Ų2891.7 Ų91.723%0.23153%0.532CS..Hα-helixtrans-67.9-38.5173.900000112.6E397 I398 S404 A406 F407E397-A401 PolarHBondContact O-N 2.65Å; I398-A401 PolarHBondContact O-N 3.1Å; A401-S404 WeakPolarHBondContact CA-OG 3.4Å; A401-S404 PolarHBondContact O-OG 2.83Å; A401-A406 PolarHBondContact O-N 3.39Å; A401-F407 HydrophobicContact CB-CB 4.44Å; A401-F407 HydrophobicContact CB-CD2 4.39Å; A401-F407 PolarHBondContact O-N 3.3Å
402I60.5Low50.9Low62 Ų6291.5 Ų91.532%0.31853%0.532SS..Hα-helixtrans-67.6-46.3174.1-67.4166.9000110.6T393 I398 L399 G405 F407T393-I402 HydrophobicContact CG2-CD1 3.79Å; I398-I402 HydrophobicContact CG2-CD1 4Å; I398-I402 WeakPolarHBondContact O-CG1 3.1Å; I398-I402 PolarHBondContact O-N 3.02Å; L399-I402 PolarHBondContact O-N 2.85Å; I402-G405 PolarHBondContact O-N 2.77Å; I402-F407 HydrophobicContact CG1-CB 4.23Å; I402-F407 HydrophobicContact CG1-CG 4.47Å
403L61.9Low50.8Low137 Ų13791.3 Ų91.372%0.71752%0.521SS*.Hα-helixtrans-74.4-23.8-177.5-70171.3000114.2L399 G405L399-L403 HydrophobicContact CD2-CD1 3.88Å; L399-L403 HydrophobicContact CG-CD1 3.96Å; L399-L403 VanDerWaalsContact O-CB 3.31Å; L399-L403 WeakPolarHBondContact O-CB 3.49Å; L399-L403 WeakPolarHBondContact O-CG 3.23Å; L399-L403 PolarHBondContact O-N 2.81Å; L403-G405 VanDerWaalsContact C-N 3.29Å
404S62.7Low50.5Low82 Ų8297.7 Ų97.757%0.57355%0.548SS*.THydrogen-bonded Turntrans-82-3.5174.955.90000113.9K400 A401 A406K400-S404 WeakPolarHBondContact O-CB 3.35Å; K400-S404 PolarHBondContact O-N 3.36Å; K400-S404 PolarHBondContact O-OG 3.22Å; A401-S404 WeakPolarHBondContact CA-OG 3.4Å; A401-S404 PolarHBondContact O-OG 2.83Å; S404-A406 PolarHBondContact O-N 2.75Å; S404-A406 WeakPolarHBondContact OG-CB 3.03Å
405G47.3Very low50Low62 Ų6296.2 Ų96.264%0.63954%0.544SS*.THydrogen-bonded Turntrans70.32.5-173.100000114.3I402 L403 F407I402-G405 PolarHBondContact O-N 2.77Å; L403-G405 VanDerWaalsContact C-N 3.29Å; G405-F407 PolarHBondContact O-N 3.42Å
406A52Low49.3Very low82 Ų8298.4 Ų98.468%0.67856%0.56SS**  trans-68.2-24.1176.100000112.4A401 S404A401-A406 PolarHBondContact O-N 3.39Å; S404-A406 PolarHBondContact O-N 2.75Å; S404-A406 WeakPolarHBondContact OG-CB 3.03Å
407F45.9Very low47.9Very low87 Ų87100.9 Ų100.938%0.38257%0.568SS.*SBendtrans-91.8110.3175.9-148.3-81.6000111.4A401 I402 G405 T409 L412A401-F407 HydrophobicContact CB-CB 4.44Å; A401-F407 HydrophobicContact CB-CD2 4.39Å; A401-F407 PolarHBondContact O-N 3.3Å; I402-F407 HydrophobicContact CG1-CB 4.23Å; I402-F407 HydrophobicContact CG1-CG 4.47Å; G405-F407 PolarHBondContact O-N 3.42Å; F407-T409 PolarHBondContact O-N 3.07Å; F407-L412 HydrophobicContact CD1-CD1 4.12Å; F407-L412 HydrophobicContact CE1-CD1 3.55Å; F407-L412 HydrophobicContact CE1-CG 3.95Å; F407-L412 HydrophobicContact CZ-CD1 4.41Å
408N46.8Very low46.4Very low96 Ų96102.3 Ų102.351%0.51358%0.577SS.*  trans-68.9103.1173.6-177.20.7000110.3Q410 A411N408-Q410 PolarHBondContact O-N 2.84Å; N408-Q410 VanDerWaalsContact O-N 3.17Å; N408-Q410 VanDerWaalsContact OD1-CB 3.26Å; N408-Q410 WeakPolarHBondContact OD1-CB 3.43Å; N408-Q410 WeakPolarHBondContact OD1-CG 3.2Å; N408-Q410 PolarHBondContact OD1-N 2.92Å; N408-A411 WeakPolarHBondContact O-CB 3.32Å; N408-A411 PolarHBondContact O-N 3.31Å
409T44.1Very low44.8Very low80 Ų80104.1 Ų104.149%0.49160%0.596SS.*Hα-helixtrans-63.1-19.6179.352.10000113.5F407 A411 L412 F413F407-T409 PolarHBondContact O-N 3.07Å; T409-A411 PolarHBondContact O-N 3.4Å; T409-L412 PolarHBondContact O-N 3.17Å; T409-F413 WeakPolarHBondContact O-CD2 3.34Å
410Q46.1Very low43.4Very low151 Ų151104.9 Ų104.971%0.70661%0.608SS**Hα-helixtrans-68.6-21.1173.2-55.3-175.91.200112.8N408 F413N408-Q410 PolarHBondContact O-N 2.84Å; N408-Q410 VanDerWaalsContact O-N 3.17Å; N408-Q410 VanDerWaalsContact OD1-CB 3.26Å; N408-Q410 WeakPolarHBondContact OD1-CB 3.43Å; N408-Q410 WeakPolarHBondContact OD1-CG 3.2Å; N408-Q410 PolarHBondContact OD1-N 2.92Å; Q410-F413 CarbonylContact O-C 3.39Å; Q410-F413 PolarHBondContact O-N 3.47Å
411A41.8Very low41.9Very low75 Ų75103.5 Ų103.562%0.6262%0.616SS**Hα-helixtrans-75-26.9175.100000112.9N408 T409 F413N408-A411 WeakPolarHBondContact O-CB 3.32Å; N408-A411 PolarHBondContact O-N 3.31Å; T409-A411 PolarHBondContact O-N 3.4Å; A411-F413 VanDerWaalsContact C-N 3.34Å
412L39.9Very low40.7Very low89 Ų89108.1 Ų108.147%0.46665%0.647SS.*Hα-helixtrans-77.7-20.5174.1-92.1163000113I391 F407 T409I391-L412 HydrophobicContact CD1-CD1 4.05Å; F407-L412 HydrophobicContact CD1-CD1 4.12Å; F407-L412 HydrophobicContact CE1-CD1 3.55Å; F407-L412 HydrophobicContact CE1-CG 3.95Å; F407-L412 HydrophobicContact CZ-CD1 4.41Å; T409-L412 PolarHBondContact O-N 3.17Å
413F34.9Very low39.2Very low123 Ų123114.8 Ų114.854%0.53967%0.673SS.*  trans-124.775.2-179.8-60-73.6000110.1T409 Q410 A411 S415T409-F413 WeakPolarHBondContact O-CD2 3.34Å; Q410-F413 CarbonylContact O-C 3.39Å; Q410-F413 PolarHBondContact O-N 3.47Å; A411-F413 VanDerWaalsContact C-N 3.34Å; F413-S415 PolarHBondContact O-N 2.91Å
414Q33.4Very low37.9Very low161 Ų161114.2 Ų114.275%0.75268%0.678SS**  trans-58.8108.8158.6-79.9-168.19.300108V416Q414-V416 WeakPolarHBondContact O-CG2 3.42Å; Q414-V416 PolarHBondContact O-N 2.75Å
415S29.1Very low36.3Very low107 Ų107114 Ų11475%0.74869%0.689SS**  trans-55.1101.2180-54.70000110.2F413 N417F413-S415 PolarHBondContact O-N 2.91Å; S415-N417 PolarHBondContact O-N 3.16Å
416V30.7Very low35.4Very low116 Ų116118.6 Ų118.670%0.70370%0.697SS**  trans-73.970174-166.90000108.5Q414 M418Q414-V416 WeakPolarHBondContact O-CG2 3.42Å; Q414-V416 PolarHBondContact O-N 2.75Å; V416-M418 VanDerWaalsContact C-N 3.26Å; V416-M418 HydrophobicContact CG1-CE 3.6Å; V416-M418 HydrophobicContact CG1-CG 4.08Å; V416-M418 PolarHBondContact O-N 2.82Å
417N30Very low34.1Very low148 Ų148121.1 Ų121.179%0.79170%0.699SS**  trans-78.878.9-174.4-151.710.7000108.3S415 S419S415-N417 PolarHBondContact O-N 3.16Å; N417-S419 PolarHBondContact O-N 3.48Å
418M29.4Very low33.3Very low164 Ų164126 Ų12681%0.80873%0.726SS**  trans-67.276-179.8-74.6-72.217600111V416 S420V416-M418 VanDerWaalsContact C-N 3.26Å; V416-M418 HydrophobicContact CG1-CE 3.6Å; V416-M418 HydrophobicContact CG1-CG 4.08Å; V416-M418 PolarHBondContact O-N 2.82Å; M418-S420 PolarHBondContact O-N 3Å
419S28.6Very low32.2Very low113 Ų113126.7 Ų126.779%0.7973%0.733SS**  trans-72.4106.3166.9-171.80000109.1N417N417-S419 PolarHBondContact O-N 3.48Å
420S27.7Very low31.4Very low99 Ų99127.9 Ų127.969%0.69275%0.745SS**  trans-68.8137.9173.5540000111.5M418M418-S420 PolarHBondContact O-N 3Å
421S28.3Very low30.5Very low112 Ų112125.2 Ų125.278%0.78374%0.743SS**SBendtrans64.881.5162.262.20000119.4
422S33.1Very low29.8Very low124 Ų124128.7 Ų128.787%0.86775%0.75SS**  -168.3131.2121.354.50000112.4
423K29.6Very low29.3Very low203 Ų203132.4 Ų132.488%0.88377%0.77SS**  trans-90.8166.9164.3-94.1-175.4176.3-177.30108.9
424P34.4Very low29.1Very low124 Ų124133.2 Ų133.281%0.80578%0.779SS**  cis-129.2165.7-22.936.1-20.2000112.8
425G28.7Very low29Very low79 Ų79131.5 Ų131.581%0.81478%0.782SS**  trans-163.7115171.600000111.8
426I28.3Very low29Very low158 Ų158133.1 Ų133.181%0.8179%0.788SS**  trans-96.1153.1-177.8-49.5167.6000108.2
427N25.3Very low29.1Very low135 Ų135136.7 Ų136.772%0.72280%0.797SS**  trans69110.4178.6-68.6-14.5000117.2
428M28.4Very low29.3Very low189 Ų189139.3 Ų139.393%0.93180%0.801SS**  -142.179.2122.9-95-163-78.900109.5
429T24.9Very low29.5Very low110 Ų110137.1 Ų137.168%0.67580%0.799SS**  trans-67.2165.213945.60000109.4
430S26.4Very low29.8Very low105 Ų105139.7 Ų139.773%0.73480%0.804SS**  trans71.3158.5175.788.50000113.9
431S27.6Very low29.9Very low96 Ų96142.7 Ų142.767%0.67181%0.812SS**  cis177.2154.4-22.9-91.80000102.5N433S431-N433 PolarHBondContact O-N 3.02Å; S431-N433 VanDerWaalsContact O-N 3.16Å
432I28Very low30.2Very low148 Ų148142.8 Ų142.876%0.75981%0.813SS**  trans-16.2111.6156.1-59.8160.3000113.2L434I432-L434 HydrophobicContact CG2-CD1 3.49Å; I432-L434 VanDerWaalsContact CG2-CD1 3.49Å; I432-L434 PolarHBondContact O-N 3.37Å
433N28.8Very low29.9Very low167 Ų167144.6 Ų144.689%0.89381%0.813SS**  trans-7193168.4-81.1-58000109.2S431S431-N433 PolarHBondContact O-N 3.02Å; S431-N433 VanDerWaalsContact O-N 3.16Å
434L30.5Very low30.1Very low140 Ų140141.4 Ų141.473%0.73381%0.81SS**PPolyproline II helixtrans-95145.3154.8-106.673.9000109I432 T436I432-L434 HydrophobicContact CG2-CD1 3.49Å; I432-L434 VanDerWaalsContact CG2-CD1 3.49Å; I432-L434 PolarHBondContact O-N 3.37Å; L434-T436 PolarHBondContact O-N 2.93Å
435P31.4Very low29.8Very low125 Ų125142.2 Ų142.281%0.81281%0.808SS**PPolyproline II helixtrans-73.4129-17028.7-34.5000112.6Q437P435-Q437 PolarHBondContact O-N 3.48Å
436T28.2Very low29.8Very low141 Ų141143.5 Ų143.587%0.86580%0.804SS**PPolyproline II helixtrans-67.1117.7169.838.60000111.9L434L434-T436 PolarHBondContact O-N 2.93Å
437Q33.3Very low29.9Very low191 Ų191141.8 Ų141.889%0.89380%0.801SS**PPolyproline II helixtrans-101.3153.9148.8-83-169.9-12.900110P435P435-Q437 PolarHBondContact O-N 3.48Å
438K35.1Very low30.1Very low202 Ų202141.1 Ų141.188%0.87880%0.804SS**PPolyproline II helixtrans-77.2152.2-168-68177.1177.8177.50112.2
439P32.3Very low30.1Very low118 Ų118139.6 Ų139.677%0.76680%0.799SS**PPolyproline II helixtrans-82.7138171.634-32.1000110.9
440D34.7Very low30.1Very low167 Ų167139 Ų13989%0.89380%0.799SS**  trans-110.9143.9161.3-90.5-45000109.9
441N30.1Very low30.2Very low163 Ų163139.9 Ų139.987%0.87280%0.8SS**  trans-82.7136.4-173-64.7-60.2000112.4
442S35.3Very low30.2Very low113 Ų113141.1 Ų141.179%0.7980%0.804SS**  trans-155.3127.5138.247.70000111.5
443N26.9Very low30.4Very low162 Ų162145.6 Ų145.687%0.86681%0.811SS**  trans-73.8133.8165.1-69.3-35.3000108.8
444T33.3Very low30.6Very low136 Ų136142.4 Ų142.483%0.83480%0.797SS**  trans-155148.1135.25.90000112.4
445D28.5Very low30.5Very low142 Ų142146.1 Ų146.176%0.75980%0.803SS**  trans-60.3172.6-176-60.3-84.8000116.5
446S29.6Very low30.6Very low105 Ų105146 Ų14673%0.73480%0.804SS**  trans90.2113.713567.10000120.5
447V29.2Very low30.8Very low123 Ų123147.4 Ų147.475%0.74580%0.801SS**  trans76122.8138.1179.50000118.4
448P30.6Very low30.9Very low120 Ų120143.3 Ų143.378%0.77979%0.791SS**  trans-85.5143.2171.135.3-32.7000111.4
449L27.9Very low31Very low158 Ų158139 Ų13983%0.82779%0.787SS**  trans-145.5133.5165.2-106.9159.6000112
450S25.2Very low31Very low96 Ų96141.7 Ų141.767%0.67179%0.789SS**  trans-62.7166174.448.70000114.5
451V28.3Very low31.1Very low124 Ų124137.4 Ų137.475%0.75277%0.77SS**  trans159.2101.7133.4157.10000109.1
452T27.4Very low31.3Very low123 Ų123137.6 Ų137.676%0.75577%0.766SS**  77114.894.2-48.60000116
453R31.5Very low31.1Very low242 Ų242138.6 Ų138.691%0.91376%0.762SS**  trans-164.2151.1144.9-79.4-155.3178.6163.30.5110.4
454T33.5Very low31.4Very low99 Ų99137.2 Ų137.261%0.60776%0.759SS**  cis-169.1119.3-28.3-63.10000107.7
455Y28.4Very low31.3Very low218 Ų218136.5 Ų136.586%0.85575%0.754SS**  trans56.7154.3157.3-74-117.9000119.1
456C32.9Very low31.6Very low124 Ų124136.3 Ų136.384%0.83876%0.758SS**  cis-132.9156.924.9-72.40000115.3
457Q33.1Very low31.9Very low170 Ų170136 Ų13679%0.79475%0.753SS**  trans-87-169.4170.8-111.6-171.2-1800112
458P35.4Very low32.1Very low105 Ų105138.9 Ų138.968%0.68276%0.759SS**  cis-123.3-173.4-6.931.9-8.6000112
459S36.6Very low32.3Very low112 Ų112139.1 Ų139.178%0.78376%0.763SS**  cis-156.4154.428.7-49.30000113
460E33Very low32.4Very low173 Ų173137.3 Ų137.381%0.80876%0.764SS**  trans-100.8-165-179.5-132.1-160.7140.100110.2
461P35.5Very low32.9Very low78 Ų78140.5 Ų140.551%0.50677%0.772SS.*  cis-143.3-171.5-1440.2-20000117
462Q34.8Very low33Very low166 Ų166139.5 Ų139.578%0.77677%0.77SS**  trans74.1145.9144.5-83.6169.658.600120.2
463N30.9Very low33.4Very low135 Ų135138.6 Ų138.672%0.72277%0.769SS**  cis-165.7-174.7-14.7-145-17.5000110.6
464V34.6Very low33.5Very low133 Ų133133.9 Ų133.981%0.80676%0.762SS**  trans104.9126.3160.4-171.90000117.5
465V30.7Very low33.7Very low120 Ų120135.9 Ų135.973%0.72777%0.774SS**  trans-120.5140.6-173.1167.70000109.6
466V35.2Very low33.8Very low139 Ų139134.8 Ų134.884%0.84277%0.774SS**  trans-153.5130.3150-173.30000110.6
467P34.5Very low34.1Very low97 Ų97137.6 Ų137.663%0.6377%0.772SS**  trans-118.8178169.640.9-30.5000114.7
468E33.1Very low34Very low185 Ų185137.6 Ų137.686%0.86477%0.772SS**  trans76.9125.7162.8-57.6-167.5170.200121.8
469S35.2Very low34.1Very low124 Ų124138.9 Ų138.987%0.86777%0.773SS**  -172.9143.6129.528.10000111.9
470S29.7Very low34.1Very low120 Ų120142 Ų14284%0.83977%0.772SS**  trans-137.1121.7-168.3-560000112.5
471I36.6Very low34.2Very low163 Ų163139.1 Ų139.184%0.83677%0.771SS**  trans-153.4116.3170.9-40.2176.6000107.1
472S30.9Very low34Very low103 Ų103142.9 Ų142.972%0.7279%0.787SS**  52.2140.483.7-148.10000114
473S35.8Very low33.9Very low104 Ų104143.1 Ų143.173%0.72779%0.788SS**  cis-159.5167.216.8-25.90000113
474D32Very low33.9Very low144 Ų144142.5 Ų142.577%0.7778%0.784SS**  trans-22.5145.6159.1-138.4-27.6000120.4
475T37.8Very low33.8Very low140 Ų140144.2 Ų144.286%0.85979%0.788SS**  170155122.333.90000114.7
476K32.2Very low33.7Very low196 Ų196143.8 Ų143.885%0.85279%0.789SS**  trans-102143.3174.4-63.1175.5177.81770112.7
477K38.5Very low33.3Very low182 Ų182142.1 Ų142.179%0.79178%0.782SS**  trans170.8134.8140.3-96167.2179.2-173.20108.9
478E31.9Very low33.5Very low171 Ų171143.3 Ų143.380%0.79979%0.79SS**  43.3118.392.4-63.2179.8145.300111.9
479D35.6Very low33.4Very low131 Ų131141.3 Ų141.370%0.70179%0.785SS**  -161.2-172.853.4-142.8-32.8000113.5
480K38.3Very low33.5Very low177 Ų177143.5 Ų143.577%0.7779%0.787SS**  trans-80.2150.6-177.2-39.7118.5-167.8127.30113.1
481S33.2Very low33.6Very low113 Ų113143.7 Ų143.779%0.7978%0.784SS**  -178.9134111.4630000115.3
482L31.8Very low33.6Very low158 Ų158144.6 Ų144.683%0.82778%0.784SS**  trans-15.2166.5155.5-61167.6000121.6
483Q33.4Very low33.8Very low171 Ų171145.1 Ų145.180%0.79979%0.788SS**  trans87145.3163-50.6-169.728.600115.6
484N30.9Very low33.7Very low122 Ų122151.6 Ų151.665%0.65280%0.797SS**  cis-172.2169.8-23.4-102.7-29.1000106.3
485L31.6Very low33.7Very low168 Ų168150.6 Ų150.688%0.8880%0.8SS**  trans69148.2164.3-60.9130.4000115.4
486C29.7Very low33.5Very low111 Ų111151.2 Ų151.275%0.7580%0.798SS**  cis-154.8154.7-13.1-178.70000108.6
487C27.1Very low33.6Very low104 Ų104147.8 Ų147.870%0.70380%0.796SS**  trans-70.3166.6171.6-490000112.4
488P38.3Very low33.3Very low122 Ų122148.7 Ų148.779%0.79280%0.8SS**  trans-114.8140.3132.233.9-28.4000111.5
489N29.9Very low33.2Very low144 Ų144145.3 Ų145.377%0.7780%0.795SS**  trans-93.5145.4162.7-74.5-40.9000108.3
490D38.5Very low33Very low170 Ų170148.9 Ų148.991%0.90980%0.8SS**  trans-120.3150.3153.5-86.4-50000110.2
491T32.5Very low32.8Very low124 Ų124147 Ų14776%0.76180%0.798SS**  trans-118.9175.5-155.8-61.90000111.8
492E35.8Very low32.7Very low181 Ų181150 Ų15085%0.84680%0.798SS**  trans101129.1173.8-54.7-166.4140.400113.8
493S34.2Very low32.8Very low114 Ų114148.5 Ų148.580%0.79780%0.795SS**  cis-142154.322-72.40000115.2
494R34.1Very low32.8Very low241 Ų241147.1 Ų147.191%0.90979%0.788SS**  trans-36.8150.5169.9-69.5162.3163.6169.6-7115.1
495S32.2Very low33.2Very low122 Ų122149 Ų14985%0.85380%0.799SS**  -162.416357.646.80000114.8
496L33.5Very low33.5Very low154 Ų154149.5 Ų149.581%0.80679%0.793SS**PPolyproline II helixtrans-101159.4-160.9-69.2157.5000114.4
497P35.6Very low33.8Very low124 Ų124149.3 Ų149.381%0.80579%0.793SS**PPolyproline II helixtrans-75.1133.2161.732.5-32.3000110.7
498F31.4Very low34.2Very low200 Ų200152.2 Ų152.288%0.87780%0.802SS**PPolyproline II helixtrans-85133-178.3-103.1-90.7000113.3
499S29.7Very low34.1Very low100 Ų100149.8 Ų149.870%0.69980%0.799SS**  trans-131.9116.2164.3148.90000107.3
500Y32.1Very low34.4Very low206 Ų206149.7 Ų149.781%0.80880%0.799SS**  trans179.4145.6167.1-89.7-60.9000105.3
501N34.1Very low34.2Very low137 Ų137149.7 Ų149.773%0.73379%0.793SS**  cis-137.516118.1-82.7-56.4000112.9
502K30.6Very low34.1Very low178 Ų178151.8 Ų151.877%0.77479%0.794SS**  trans-97.2121.9164.9-178.3-171-178.6-1640107.6
503T34.4Very low34.3Very low125 Ų125147.7 Ų147.777%0.76778%0.784SS**  trans-130.8120.5168.6-48.90000108.4
504E33.4Very low34.2Very low142 Ų142148 Ų14866%0.66478%0.775SS**  trans-76.4136.4169.8-62.8171.8175.500108.2
505D37.7Very low34.1Very low162 Ų162139.8 Ų139.887%0.86677%0.765SS**  trans-143.9145.7149.2-135.6-26.5000111.5
506K39.1Very low34.4Very low178 Ų178143.2 Ų143.277%0.77476%0.761SS**  trans-106.9129.4-163.2-65.1168.3-179.5167.80110.8
507S36.7Very low34.4Very low107 Ų107140.2 Ų140.275%0.74875%0.753SS**  trans-170.4123.8135.722.50000112.7
508N35.2Very low34.5Very low165 Ų165141.9 Ų141.988%0.88276%0.755SS**  trans23.8125131.1-45.7-11.7000116.9
509G34.5Very low34.7Very low71 Ų71135.1 Ų135.173%0.73274%0.741SS**  cis157.5-161.77.400000110.8
510N36.7Very low35Very low142 Ų142138.3 Ų138.376%0.75975%0.75SS**  trans78.295.1180-60.1-21.4000116.8
511Q35.5Very low35Very low171 Ų171136.9 Ų136.980%0.79975%0.75SS**  65137.8124.6-65.1167.14700118.3
512E29.6Very low35Very low167 Ų167135.3 Ų135.378%0.7875%0.748SS**  cis-179.8163.9-22.9-115.3-129.8109.200103.4
513P40.4Very low35.1Very low96 Ų96133.2 Ų133.262%0.62374%0.743SS**  trans-109.6-142.5-156.434.7-19.5000111.2
514I31.1Very low35.1Very low121 Ų121135 Ų13562%0.62174%0.743SS**  trans78.5130.5169.7-46.9152.9000112.5Y516I514-Y516 HydrophobicContact CG2-CD2 3.67Å; I514-Y516 HydrophobicContact CG2-CE1 4.32Å; I514-Y516 HydrophobicContact CG2-CE2 3.12Å; I514-Y516 HydrophobicContact CG2-CG 4.45Å
515G33.7Very low34.9Very low68 Ų68135.2 Ų135.270%0.70175%0.749SS**  cis-160.2-155.4-4.700000108
516Y36.7Very low34.6Very low194 Ų194133.2 Ų133.276%0.76175%0.748SS**  cis-162.7148.84.3-104.4-72.6000107.3I514I514-Y516 HydrophobicContact CG2-CD2 3.67Å; I514-Y516 HydrophobicContact CG2-CE1 4.32Å; I514-Y516 HydrophobicContact CG2-CE2 3.12Å; I514-Y516 HydrophobicContact CG2-CG 4.45Å
517S35.4Very low34.3Very low91 Ų91129.9 Ų129.964%0.63675%0.747SS**  trans57.6145.5135.884.90000119.6
518N37.5Very low34.1Very low159 Ų159129.6 Ų129.685%0.8575%0.745SS**  cis-144.9170.33.2-67.4-75.5000106.7
519G35.8Very low34.1Very low57 Ų57129.8 Ų129.859%0.58875%0.746SS**  cis178132.3-1.600000105.6
520L34.3Very low34.2Very low167 Ų167135.4 Ų135.487%0.87475%0.75SS**  54.612295.7-59.4177.6000112.5
521Q32.2Very low34Very low176 Ų176135 Ų13582%0.82276%0.755SS**  cis-146.7170.335.1-78.2-163.70.100115.4
522P35.5Very low34Very low105 Ų105136 Ų13668%0.68276%0.76SS**  trans-103.8-173.3179.530.5-12.9000113.2
523I31.3Very low34.3Very low133 Ų133137.8 Ų137.868%0.68277%0.765SS**  trans144.7133.5135.2-74164.6000114.5
524Q34.7Very low33.9Very low163 Ų163139 Ų13976%0.76278%0.776SS**  trans76105.3158.2-77.8157.324.300123.4
525N28.5Very low34.1Very low146 Ų146137.3 Ų137.378%0.78178%0.78SS**  60.5107.6121.2-55.5-3.9000121.2
526S32.9Very low34.2Very low121 Ų121139.9 Ų139.985%0.84679%0.785SS**  176.1150.7102.747.50000114.9
527S33.2Very low34.2Very low108 Ų108142.7 Ų142.776%0.75579%0.794SS**  trans57.3112158.8-144.60000122.7
528S30.6Very low34.2Very low101 Ų101145.7 Ų145.771%0.70680%0.801SS**  trans47.5110.6135.365.30000121.2
529D36.6Very low33.9Very low169 Ų169141 Ų14190%0.90479%0.791SS**  -155.4156.7121.6-130-29000113.5
530K36.2Very low34.1Very low188 Ų188146.1 Ų146.182%0.81780%0.804SS**PPolyproline II helixtrans-98.6151-178.7-79.3-179.1177.9176.30112Q532K530-Q532 PolarHBondContact O-N 3.38Å
531P33.4Very low34.4Very low133 Ų133142.5 Ų142.586%0.86479%0.791SS**PPolyproline II helixtrans-73.8125.4-172.429.3-35.1000112.9
532Q33.8Very low34.8Very low192 Ų192138.5 Ų138.590%0.89778%0.78SS**PPolyproline II helixtrans-91.5134.1178.8-149177.623.300111.4K530 S534K530-Q532 PolarHBondContact O-N 3.38Å; Q532-S534 PolarHBondContact O-N 3.22Å
533K36.3Very low35.2Very low205 Ų205144 Ų14489%0.89179%0.787SS**PPolyproline II helixtrans-63.7130.4177.5-79.3176.8173.4175.10111.4A535K533-A535 PolarHBondContact O-N 2.94Å
534S33.1Very low35.7Very low121 Ų121143.4 Ų143.485%0.84679%0.79SS**PPolyproline II helixtrans-70.2116.4172.153.60000111.9Q532Q532-S534 PolarHBondContact O-N 3.22Å
535A35.3Very low36.2Very low86 Ų86142.2 Ų142.271%0.71179%0.788SS**PPolyproline II helixtrans-83.7153.1171.500000112K533K533-A535 PolarHBondContact O-N 2.94Å
536P35.2Very low36.7Very low123 Ų123144.2 Ų144.280%0.79979%0.785SS**PPolyproline II helixtrans-66.5136176.5-17.131.1000111.9I538P536-I538 PolarHBondContact O-N 3.36Å
537R35.8Very low37.1Very low253 Ų253147.6 Ų147.696%0.95579%0.785SS**  trans-68.1115.5175.8-83.5-179.5170.8163.8-2.6111.2
538I36Very low37.6Very low153 Ų153150.6 Ų150.679%0.78579%0.791SS**PPolyproline II helixtrans-70.3139.1167.8-64.8171.2000109.2P536P536-I538 PolarHBondContact O-N 3.36Å
539G32.1Very low37.8Very low62 Ų62153.5 Ų153.564%0.63980%0.799SS**PPolyproline II helixtrans-70.3159.9-178.500000113.9
540N39.1Very low37.8Very low163 Ų163155.4 Ų155.487%0.87280%0.799SS**PPolyproline II helixtrans-60135.7-177.2-67.6-45.5000112.5
541P40.5Very low37.8Very low92 Ų92152.5 Ų152.560%0.59780%0.803SS**PPolyproline II helixtrans-67.5156.1173.728.7-34.9000111.9
542P39.9Very low37.9Very low91 Ų91153.1 Ų153.159%0.59179%0.794SS**PPolyproline II helixtrans-60.3147178.124.6-33.6000112.2T544 L545P542-T544 PolarHBondContact O-N 2.83Å; P542-L545 PolarHBondContact O-N 3.45Å
543R43.8Very low38.2Very low220 Ų220149 Ų14983%0.8379%0.787SS**THydrogen-bonded Turntrans-65.4-0.5-167.3-154.3172.7-173.6151.8-1115.3
544T42.2Very low38.1Very low122 Ų122143.8 Ų143.875%0.74877%0.774SS**THydrogen-bonded Turntrans-92.4-16.4-17542.10000114.5P542 R546P542-T544 PolarHBondContact O-N 2.83Å; T544-R546 PolarHBondContact O-N 3.34Å
545L46.3Very low38.3Very low137 Ų137145 Ų14572%0.71777%0.767SS**  trans-93.365.2177.6-67.7171.3000111.8P542P542-L545 PolarHBondContact O-N 3.45Å
546R38.7Very low38.6Very low189 Ų189146.4 Ų146.471%0.71377%0.769SS**  trans-124.39.9179.5-75.1-168.2177.3-173.5-1.2115.6T544T544-R546 PolarHBondContact O-N 3.34Å
547F41.7Very low38.7Very low191 Ų191144.4 Ų144.484%0.83877%0.77SS**SBendtrans-134.3142.1169.4-57.6-79.6000107.2
548L42.1Very low38.7Very low171 Ų171138 Ų13890%0.89576%0.764SS**SBendtrans78.177.4-166.6-48.5172.4000114.5
549D36.7Very low38.7Very low162 Ų162138.1 Ų138.187%0.86676%0.761SS**  175.1100.9129.8-97.2-11000110.9
550K34.9Very low39.1Very low210 Ų210141.6 Ų141.691%0.91376%0.763SS**  trans-153.294.3161.7-73.8-158.3177.4-171.30110.4
551S37Very low39Very low127 Ų127141.5 Ų141.589%0.88876%0.757SS**  trans-91.9162158.442.70000110.2
552E35.6Very low38.8Very low146 Ų146144.2 Ų144.268%0.68277%0.766SS**  trans-132.6139.6-148.8-170.6-163.6158.400114.1K576E552-K576 WeakPolarHBondContact OE1-CD 3.27Å; E552-K576 WeakPolarHBondContact OE1-CE 3.28Å; E552-K576 IonicContact OE1-NZ 2.72Å; E552-K576 PolarHBondContact OE1-NZ 3.25Å
553S39.1Very low38.5Very low106 Ų106144.5 Ų144.574%0.74177%0.771SS**  trans170154.315840.30000110.7
554C35.4Very low38.2Very low94 Ų94142 Ų14264%0.63577%0.768SS**  cis-165.7141-20.5-104.50000111.9
555E36.5Very low38Very low148 Ų148145.6 Ų145.669%0.69278%0.776SS**  trans66.3164.1141.6-63-70.9117.300121.1
556P41.4Very low37.4Very low115 Ų115145 Ų14575%0.74778%0.783SS**  -140.6176.4-65.840.9-22.6000115.3
557G37.4Very low37.1Very low80 Ų80139.8 Ų139.883%0.82579%0.788SS**  trans168146.1166.700000117.5
558S36.7Very low36.9Very low119 Ų119137.9 Ų137.983%0.83279%0.786SS**  trans-85.4171.9179.446.30000112.6
559Q36.2Very low36.5Very low155 Ų155136.4 Ų136.472%0.72478%0.784SS**  cis-160.7-170.733.5-157.7170-000111.8
560M39.9Very low36.3Very low136 Ų136132 Ų13267%0.6778%0.778SS**  trans-48.3171.3-177.6-63.5171.8-77.400116.9
561E37.7Very low36.2Very low160 Ų160126.1 Ų126.175%0.74878%0.776SS**  cis-154.5-158.812.2-139.8154.9-138.900112.1
562D34.9Very low36Very low149 Ų149130.3 Ų130.380%0.79777%0.772SS**  trans-97.1173.5-153.9-72.1-55.9000120.3
563S34.4Very low35.9Very low97 Ų97131.7 Ų131.768%0.67878%0.779SS**  trans98.9107.8145.5-67.70000122.4
564H38.6Very low35.9Very low168 Ų168132.4 Ų132.478%0.77878%0.781SS**  trans47.196.3135.8-54.4-68.9000121.2
565H36.8Very low36.4Very low198 Ų198138.9 Ų138.992%0.91779%0.792SS**  trans-151.4149.9133.4-86-57.5000110.9
566S34.6Very low36.6Very low123 Ų123136.4 Ų136.486%0.8678%0.779SS**  trans-77.9133.1-162.7-50.10000114.7
567G31.6Very low36.6Very low80 Ų80139 Ų13983%0.82579%0.785SS**SBendtrans85.319.114500000118.9
568L36.6Very low36.7Very low152 Ų152143 Ų14380%0.79678%0.78SS**  trans-145.6147.2176.6-91.3176.7000113.6
569T35.3Very low36.6Very low140 Ų140143.6 Ų143.686%0.85978%0.781SS**  trans62.9162.7156.660.10000119.3
570G32.7Very low36.6Very low70 Ų70140.4 Ų140.472%0.72278%0.776SS**  trans11587.3163.800000114.3R572G570-R572 PolarHBondContact O-N 3.01Å
571G32.2Very low36.7Very low85 Ų85138.1 Ų138.188%0.87677%0.773SS**  trans-64.6127.1159.400000109.7
572R32.4Very low36.6Very low216 Ų216139.7 Ų139.782%0.81578%0.778SS**  trans-135.8134164.8-98.1-176.8171.3175.8-0.8109.3G570G570-R572 PolarHBondContact O-N 3.01Å
573E33.1Very low36.7Very low174 Ų174138.5 Ų138.581%0.81377%0.77SS**  trans-76.2148-171.2-170.3176.2-157.900112.3R575E573-R575 PolarHBondContact O-N 3.23Å; E573-R575 VanDerWaalsContact O-N 3.16Å
574P39.7Very low36.7Very low121 Ų121142.7 Ų142.779%0.78678%0.777SS**  trans-67.6111.9175-16.731000111.2K576P574-K576 PolarHBondContact O-N 2.87Å
575R44.8Very low36.3Very low231 Ų231146.5 Ų146.587%0.87278%0.784SS**PPolyproline II helixtrans-62.1132.8175.8-70.2176.2174.4160.7-3.5111.1E573E573-R575 PolarHBondContact O-N 3.23Å; E573-R575 VanDerWaalsContact O-N 3.16Å
576K42.2Very low36Very low95 Ų95141.2 Ų141.241%0.41377%0.769SS.*PPolyproline II helixtrans-63.4132.6174.3-63-169.9173.9-143.50111.7E552 P574E552-K576 WeakPolarHBondContact OE1-CD 3.27Å; E552-K576 WeakPolarHBondContact OE1-CE 3.28Å; E552-K576 IonicContact OE1-NZ 2.72Å; E552-K576 PolarHBondContact OE1-NZ 3.25Å; P574-K576 PolarHBondContact O-N 2.87Å
577L41.4Very low35.8Very low169 Ų169146.4 Ų146.489%0.88577%0.77SS**PPolyproline II helixtrans-78.6128164.8-71.8171.1000109.1
578K39.4Very low36.1Very low166 Ų166152.5 Ų152.572%0.72277%0.774SS**PPolyproline II helixtrans-67.7133.8-178.6-71.5-172174.5-175.60111.2S580K578-S580 PolarHBondContact O-N 3.09Å
579P34.9Very low35.7Very low131 Ų131150 Ų15085%0.85178%0.775SS**G310 helixtrans-66.62.5176.3-22.634.1000116.1
580S36.5Very low35.8Very low87 Ų87148.4 Ų148.461%0.60877%0.769SS**G310 helixtrans-93.311.1-172.564.50000114.8K578K578-S580 PolarHBondContact O-N 3.09Å
581S40.6Very low35.9Very low89 Ų89150.7 Ų150.762%0.62277%0.77SS**G310 helixtrans-90-3179.752.30000114.8
582F36.5Very low36.1Very low193 Ų193153.4 Ų153.485%0.84676%0.764SS**SBendtrans-125.558.7176.2-69.2-75.5000112.5
583I36.3Very low36.2Very low123 Ų123151.6 Ų151.663%0.63177%0.765SS**  trans-128.8140.4162.5-41.6-176.8000108.6
584F35Very low36Very low185 Ų185148.5 Ų148.581%0.81176%0.762SS**  trans73.195.6176.1-62.4-72.8000119
585R30.2Very low36.1Very low248 Ų248147.8 Ų147.894%0.93676%0.758SS**  -133.478.4120.5-161.8175.3-170.7172.74.5111.8
586S29.9Very low35.6Very low87 Ų87143 Ų14361%0.60875%0.749SS**  trans-87.7159.8159.5-57.70000110.3
587R31.3Very low35.1Very low233 Ų233145.6 Ų145.688%0.87977%0.767SS**  trans77.6129.6-170.4-48.6-176.2-72.7-161.71112
588K37.3Very low34.8Very low208 Ų208149.1 Ų149.190%0.90477%0.769SS**  cis-130.7160.130.9-71.3-168.9171.6-170.90115.2
589A28.8Very low34.4Very low98 Ų98150.2 Ų150.281%0.8177%0.773SS**  trans-82145.6159.600000111.3
590S36.7Very low34.2Very low107 Ų107151 Ų15175%0.74877%0.77SS**  trans-177.194.1152.2-172.50000104.5
591T35.3Very low33.9Very low118 Ų118155.3 Ų155.372%0.72478%0.781SS**  71.1117.487.2-51.90000112
592D35.6Very low33.5Very low143 Ų143156.9 Ų156.977%0.76579%0.787SS**  trans96.5140.3150.9-95.2-35.6000125.1
593E34.3Very low33.3Very low178 Ų178154.1 Ų154.183%0.83278%0.781SS**  trans58.8113.5158.1-56.5-144.5120.200122.2
594S30.4Very low33Very low108 Ų108155.7 Ų155.776%0.75579%0.786SS**  trans-81.2-159.1148.7-49.30000108.3
595P39.9Very low32.8Very low106 Ų106156.2 Ų156.269%0.68878%0.784SS**  cis-135.8-165.1-10.640.6-21.3000113.5
596N35.9Very low32.9Very low130 Ų130152.3 Ų152.370%0.69578%0.781SS**  trans124.6112.4155.6-68.4-62.6000112.6
597L31.5Very low33.1Very low150 Ų150151.6 Ų151.679%0.78579%0.787SS**  55.594.674.6-74.3163000112.9
598R35.2Very low33.2Very low244 Ų244150.9 Ų150.992%0.92179%0.79SS**  -170.9156.198-97.8173.1-172.6-152.61.4112.6
599K29.7Very low33Very low189 Ų189146.1 Ų146.182%0.82278%0.783SS**  trans-75.9165.1170.4-58.8173.4179.7178.70110.1
600N32.3Very low33.4Very low147 Ų147151.2 Ų151.279%0.78679%0.787SS**  trans148.4105.1150.3-74.1-1.5000106.3
601E29.2Very low33.2Very low177 Ų177150.3 Ų150.383%0.82779%0.786SS**  43.997.978.9-68.3-172.4171.800113
602T32.6Very low33.2Very low123 Ų123152.7 Ų152.776%0.75580%0.795SS**  177.1148.6108.225.10000112.7
603N32.8Very low33.2Very low134 Ų134153.3 Ų153.372%0.71780%0.798SS**  trans49120.8146.2-59.5-8.2000120.1
604E29.4Very low33.3Very low156 Ų156152 Ų15273%0.72980%0.797SS**  77.514463.9-156.6-172.2-11800112.6
605Y29.7Very low33.4Very low196 Ų196154.1 Ų154.177%0.76980%0.8SS**  trans85.2143.6176.7-82.9-97.1000121.1
606L33.4Very low33.3Very low167 Ų167154.9 Ų154.987%0.87480%0.802SS**  trans65.3136.4170.4-92.956.5000117.4
607G34.1Very low33.3Very low72 Ų72154.6 Ų154.674%0.74281%0.805SS**  cis-164.8165.90.600000112.4
608K32.6Very low33.5Very low217 Ų217154.7 Ų154.794%0.94381%0.806SS**  trans-94.8121.1-176.5-60.1172.2-178.3174.70111.6
609S33.7Very low33.6Very low109 Ų109152.1 Ų152.176%0.76281%0.805SS**  trans-15899.9154.1480000108
610K36.9Very low34Very low204 Ų204154.8 Ų154.889%0.88781%0.81SS**  59.6105.890.4-85-160.9172.1-171.50113.5
611A33.3Very low34.9Very low89 Ų89156.4 Ų156.474%0.73681%0.813SS**  trans46107.4142.500000118.4
612D35.1Very low35.5Very low168 Ų168156.4 Ų156.490%0.89881%0.812SS**  trans-136.5139.9130.9-92.8-44.2000109.4
613N34.4Very low36Very low156 Ų156153.3 Ų153.383%0.83479%0.793SS**  trans-82.7127.1179.1-64.7-51.3000109.4
614N36.6Very low37.4Very low151 Ų151152.9 Ų152.981%0.80780%0.801SS**  trans-144.1109.5153.7-92.9-47.3000108.9T616N614-T616 PolarHBondContact O-N 3.33Å
615D32.9Very low38.4Very low152 Ų152147.8 Ų147.881%0.81378%0.782SS**  trans-82.479.4-172.8-1562.7000109.9V617D615-V617 WeakPolarHBondContact OD1-CG2 3.41Å
616T38.2Very low39.7Very low121 Ų121144.8 Ų144.874%0.74278%0.778SS**  trans-10580.917650.20000110.3N614 D618N614-T616 PolarHBondContact O-N 3.33Å; T616-D618 PolarHBondContact O-N 2.82Å
617V34.8Very low41.3Very low124 Ų124140.8 Ų140.875%0.75276%0.764SS**  trans-76.156.8174.2-169.30000110.6D615D615-V617 WeakPolarHBondContact OD1-CG2 3.41Å
618D37.4Very low42.7Very low152 Ų152139.2 Ų139.281%0.81374%0.744SS**  trans-157.366.1173.2-118.9-15.4000113.5T616T616-D618 PolarHBondContact O-N 2.82Å
619Q37Very low44.4Very low191 Ų191134.6 Ų134.689%0.89372%0.722SS**  trans-16286.7156.7-115.3167.577.800109.9Q621Q619-Q621 PolarHBondContact O-N 2.81Å
620R38.1Very low45.9Very low245 Ų245136.5 Ų136.593%0.92571%0.713SS**  trans-81.493.3172-70.4-171.7-178.6-141.42.8109.3E622R620-E622 PolarHBondContact O-N 2.96Å
621Q50Low47.7Very low181 Ų181130.2 Ų130.285%0.84669%0.687SS**  trans-59.2122172.8-167.7162.21900110.1Q619 V623Q619-Q621 PolarHBondContact O-N 2.81Å; Q621-V623 PolarHBondContact O-N 3.14Å
622E43.1Very low49.5Very low176 Ų176130.1 Ų130.182%0.82267%0.672SS**  trans-61.8128.8-178-67.2-172.5166.400110.9R620 S624R620-E622 PolarHBondContact O-N 2.96Å; E622-S624 PolarHBondContact O-N 3.01Å; E622-S624 VanDerWaalsContact O-N 3.11Å; E622-S624 PolarHBondContact O-OG 3.26Å
623V43.5Very low51.2Low59 Ų59124.8 Ų124.836%0.35864%0.643SS.*  trans-8395.2-174.6-161.60000108.3Q621 S625 A628Q621-V623 PolarHBondContact O-N 3.14Å; V623-S625 PolarHBondContact O-N 3.38Å; V623-A628 HydrophobicContact CG1-CB 3.52Å
624S60.5Low53.1Low125 Ų125124.6 Ų124.687%0.87464%0.635SS**  trans-63.91.6-167-38.70000116.4E622E622-S624 PolarHBondContact O-N 3.01Å; E622-S624 VanDerWaalsContact O-N 3.11Å; E622-S624 PolarHBondContact O-OG 3.26Å
625S52.3Low54.7Low48 Ų48126.3 Ų126.334%0.33663%0.63SS.*SBendtrans-154.7153.1171.374.30000112.8V623 S627 A628 Y629V623-S625 PolarHBondContact O-N 3.38Å; S625-S627 PolarHBondContact O-N 2.97Å; S625-S627 PolarHBondContact OG-OG 2.72Å; S625-A628 PolarHBondContact O-N 3.3Å; S625-A628 VanDerWaalsContact O-N 3.15Å; S625-A628 WeakPolarHBondContact OG-CB 3.43Å; S625-A628 PolarHBondContact OG-N 3.02Å; S625-Y629 PolarHBondContact O-N 3.34Å
626I55Low56.3Low133 Ų133128.2 Ų128.268%0.68263%0.625SS**Hα-helixtrans-57.5-34.7170.5-78.8170.1000111.7Y629 Y630I626-Y629 WeakPolarHBondContact O-CB 3.49Å; I626-Y629 PolarHBondContact O-N 2.77Å; I626-Y630 HydrophobicContact CG2-CD2 3.84Å; I626-Y630 HydrophobicContact CG2-CE2 3.83Å; I626-Y630 WeakPolarHBondContact O-CD2 3.41Å; I626-Y630 PolarHBondContact O-N 2.99Å
627S67.4Low56.8Low83 Ų83125.9 Ų125.958%0.5861%0.609SS**Hα-helixtrans-65.2-40.8176.354.40000112.3S625 Y629 Y630 E631S625-S627 PolarHBondContact O-N 2.97Å; S625-S627 PolarHBondContact OG-OG 2.72Å; S627-Y629 VanDerWaalsContact C-N 3.35Å; S627-Y630 PolarHBondContact O-N 2.8Å; S627-E631 PolarHBondContact O-N 2.78Å
628A64.5Low57.4Low40 Ų40125.8 Ų125.833%0.33161%0.613SS.*Hα-helixtrans-67.8-34.5174.700000111.9V623 S625 E631 Q632V623-A628 HydrophobicContact CG1-CB 3.52Å; S625-A628 PolarHBondContact O-N 3.3Å; S625-A628 VanDerWaalsContact O-N 3.15Å; S625-A628 WeakPolarHBondContact OG-CB 3.43Å; S625-A628 PolarHBondContact OG-N 3.02Å; A628-E631 PolarHBondContact O-N 3.46Å; A628-Q632 WeakPolarHBondContact O-CB 3.39Å; A628-Q632 PolarHBondContact O-N 3.27Å
629Y67.1Low57.7Low119 Ų119127.2 Ų127.247%0.46761%0.607SS.*Hα-helixtrans-61-48.1172.3174-104.1000112S625 I626 S627 E631 Q632 L633S625-Y629 PolarHBondContact O-N 3.34Å; I626-Y629 WeakPolarHBondContact O-CB 3.49Å; I626-Y629 PolarHBondContact O-N 2.77Å; S627-Y629 VanDerWaalsContact C-N 3.35Å; Y629-E631 PolarHBondContact O-N 3.3Å; Y629-Q632 PolarHBondContact O-N 3.14Å; Y629-L633 HydrophobicContact CE1-CD1 4.13Å; Y629-L633 HydrophobicContact CE2-CD1 3.87Å; Y629-L633 WeakPolarHBondContact O-CB 3.28Å; Y629-L633 PolarHBondContact O-N 3.46Å
630Y66Low57.8Low149 Ų149122.4 Ų122.458%0.58459%0.593SS**Hα-helixtrans-66.7-35.3177.5-83.3-72.1000113.6I626 S627 L633 K634I626-Y630 HydrophobicContact CG2-CD2 3.84Å; I626-Y630 HydrophobicContact CG2-CE2 3.83Å; I626-Y630 WeakPolarHBondContact O-CD2 3.41Å; I626-Y630 PolarHBondContact O-N 2.99Å; S627-Y630 PolarHBondContact O-N 2.8Å; Y630-L633 PolarHBondContact O-N 3.37Å; Y630-K634 PolarHBondContact O-N 3.3Å
631E74Confident58Low72 Ų72117.3 Ų117.334%0.33658%0.583SS.*Hα-helixtrans-65.5-39.7171.6-89.5-64.4122.900112.2S627 A628 Y629 K634 R635S627-E631 PolarHBondContact O-N 2.78Å; A628-E631 PolarHBondContact O-N 3.46Å; Y629-E631 PolarHBondContact O-N 3.3Å; E631-K634 PolarHBondContact O-N 3.47Å; E631-K634 WeakPolarHBondContact OE1-CD 3.26Å; E631-K634 IonicContact OE1-NZ 3.66Å; E631-K634 PolarHBondContact OE1-NZ 3.46Å; E631-R635 WeakPolarHBondContact O-CG 3.42Å; E631-R635 PolarHBondContact O-N 3.01Å; E631-R635 IonicContact OE2-CZ 2.85Å; E631-R635 IonicContact OE2-NE 3.63Å; E631-R635 IonicContact OE2-NH2 2.8Å; E631-R635 PolarHBondContact OE2-NH2 2.98Å
632Q72Confident57.7Low88 Ų88114.2 Ų114.241%0.41158%0.581SS.*Hα-helixtrans-68-36.2174.7-153.5177.846.300111.3A628 Y629 R635 R636A628-Q632 WeakPolarHBondContact O-CB 3.39Å; A628-Q632 PolarHBondContact O-N 3.27Å; Y629-Q632 PolarHBondContact O-N 3.14Å; Q632-R635 PolarHBondContact O-N 3.33Å; Q632-R636 WeakPolarHBondContact O-CG 3.27Å; Q632-R636 PolarHBondContact O-N 3.36Å
633L70.1Confident57.3Low56 Ų56108.4 Ų108.429%0.29356%0.564SS.*Hα-helixtrans-63-45.5173.5-130.981.4000111.9Y629 Y630 R635 R636 N637Y629-L633 HydrophobicContact CE1-CD1 4.13Å; Y629-L633 HydrophobicContact CE2-CD1 3.87Å; Y629-L633 WeakPolarHBondContact O-CB 3.28Å; Y629-L633 PolarHBondContact O-N 3.46Å; Y630-L633 PolarHBondContact O-N 3.37Å; L633-R635 VanDerWaalsContact C-N 3.27Å; L633-R635 PolarHBondContact O-N 3.22Å; L633-R636 PolarHBondContact O-N 3.44Å; L633-R636 VanDerWaalsContact O-N 3.12Å; L633-N637 VanDerWaalsContact O-CB 3.32Å; L633-N637 WeakPolarHBondContact O-CB 3.45Å; L633-N637 VanDerWaalsContact O-CG 3.31Å; L633-N637 PolarHBondContact O-N 3.4Å
634K74.9Confident56.6Low152 Ų152110.4 Ų110.466%0.66158%0.579SS**Hα-helixtrans-55.1-41.5173.8-92.7-179.7-172.8165.70112.3Y630 E631 R636Y630-K634 PolarHBondContact O-N 3.3Å; E631-K634 PolarHBondContact O-N 3.47Å; E631-K634 WeakPolarHBondContact OE1-CD 3.26Å; E631-K634 IonicContact OE1-NZ 3.66Å; E631-K634 PolarHBondContact OE1-NZ 3.46Å; K634-R636 VanDerWaalsContact C-N 3.31Å; K634-R636 PolarHBondContact O-N 2.88Å
635R70.3Confident55.5Low186 Ų186113.8 Ų113.870%0.70258%0.578SS**Hα-helixtrans-71.6-22.7-179.7-67.3171.7-156162.110.8113.2E631 Q632 L633E631-R635 WeakPolarHBondContact O-CG 3.42Å; E631-R635 PolarHBondContact O-N 3.01Å; E631-R635 IonicContact OE2-CZ 2.85Å; E631-R635 IonicContact OE2-NE 3.63Å; E631-R635 IonicContact OE2-NH2 2.8Å; E631-R635 PolarHBondContact OE2-NH2 2.98Å; Q632-R635 PolarHBondContact O-N 3.33Å; L633-R635 VanDerWaalsContact C-N 3.27Å; L633-R635 PolarHBondContact O-N 3.22Å
636R65.4Low54.7Low192 Ų192119.8 Ų119.873%0.72561%0.605SS**Hα-helixtrans-94.2-23.1177.8-63.5-178.192.4114.45113.9Q632 L633 K634 S638Q632-R636 WeakPolarHBondContact O-CG 3.27Å; Q632-R636 PolarHBondContact O-N 3.36Å; L633-R636 PolarHBondContact O-N 3.44Å; L633-R636 VanDerWaalsContact O-N 3.12Å; K634-R636 VanDerWaalsContact C-N 3.31Å; K634-R636 PolarHBondContact O-N 2.88Å; R636-S638 PolarHBondContact O-N 2.79Å
637N49.5Very low53.7Low73 Ų73119.2 Ų119.239%0.3961%0.608SS.*  trans-96.250.4-168.8-71.8-12.4000115.2L633 R639L633-N637 VanDerWaalsContact O-CB 3.32Å; L633-N637 WeakPolarHBondContact O-CB 3.45Å; L633-N637 VanDerWaalsContact O-CG 3.31Å; L633-N637 PolarHBondContact O-N 3.4Å; N637-R639 PolarHBondContact O-N 2.99Å
638S47Very low52.1Low122 Ų122120 Ų12085%0.85362%0.62SS**SBendtrans-77.80.3160.757.20000113.2R636R636-S638 PolarHBondContact O-N 2.79Å
639R44.9Very low50.5Low181 Ų181122.4 Ų122.468%0.68364%0.64SS**SBendtrans-117.7133.2174.6-116.6-179.3179.4-154.90.8110.6N637N637-R639 PolarHBondContact O-N 2.99Å
640P38.1Very low49Very low90 Ų90122.5 Ų122.558%0.58465%0.653SS**  trans-66.7138.4171.528.6-33.9000110.3S642 A643P640-S642 PolarHBondContact O-N 3.47Å; P640-A643 PolarHBondContact O-N 2.83Å
641L43Very low47.4Very low139 Ų139123.3 Ų123.373%0.72866%0.662SS**G310 helixtrans-65.4-6.4-177-68.3168.1000114.1A643L641-A643 PolarHBondContact O-N 3.07Å
642S42.4Very low45.4Very low115 Ų115129.7 Ų129.780%0.80469%0.689SS**G310 helixtrans-74.71.5176.152.70000115.1P640P640-S642 PolarHBondContact O-N 3.47Å
643A35.4Very low43.2Very low55 Ų55134.1 Ų134.146%0.45571%0.71SS.*G310 helixtrans-116.13.9-173.100000115.7P640 L641 K645P640-A643 PolarHBondContact O-N 2.83Å; L641-A643 PolarHBondContact O-N 3.07Å; A643-K645 PolarHBondContact O-N 3.22Å; A643-K645 VanDerWaalsContact O-N 3.1Å
644C28.9Very low41.5Very low101 Ų101136.9 Ų136.968%0.68273%0.731SS**  trans-81.986.9179.2-73.70000112.2L646C644-L646 PolarHBondContact O-N 2.81Å
645K37.2Very low39.5Very low195 Ų195135.5 Ų135.585%0.84874%0.737SS**  trans-65.8118.3155.9-80.8-174.6174.9-177.80108.5A643 T647A643-K645 PolarHBondContact O-N 3.22Å; A643-K645 VanDerWaalsContact O-N 3.1Å; K645-T647 PolarHBondContact O-N 2.89Å
646L35.4Very low37.7Very low174 Ų174131.3 Ų131.391%0.91174%0.743SS**  trans-70.494.3165.8-90.6158.4000109.1C644 A648C644-L646 PolarHBondContact O-N 2.81Å; L646-A648 PolarHBondContact O-N 2.78Å
647T33.8Very low36.1Very low122 Ų122129.3 Ų129.375%0.74875%0.746SS**  trans-72105.3163.2-55.30000107.7K645 A649K645-T647 PolarHBondContact O-N 2.89Å; T647-A649 PolarHBondContact O-N 2.74Å; T647-A649 VanDerWaalsContact O-N 3.13Å
648A34.3Very low35.4Very low99 Ų99131.7 Ų131.782%0.81877%0.766SS**  trans-69105.9168.700000108.5L646 T650L646-A648 PolarHBondContact O-N 2.78Å; A648-T650 PolarHBondContact O-N 3.46Å
649A31.5Very low34.7Very low91 Ų91130.1 Ų130.175%0.75276%0.755SS**  trans-80.1117.5177.300000110.4T647T647-A649 PolarHBondContact O-N 2.74Å; T647-A649 VanDerWaalsContact O-N 3.13Å
650T35.6Very low34.3Very low121 Ų121128.4 Ų128.474%0.74276%0.759SS**  trans-150.7117.8154-48.90000108.8A648A648-T650 PolarHBondContact O-N 3.46Å
651Q32.5Very low34Very low166 Ų166130.8 Ų130.878%0.77677%0.766SS**  trans46.9107.3162.5-63.3175.35.400118.3
652F30.3Very low33.6Very low206 Ų206132.4 Ų132.490%0.90477%0.767SS**  -166.1130.5105.6-97.4-70.2000108.4
653Q27.7Very low33Very low181 Ų181133.1 Ų133.185%0.84677%0.767SS**  trans-116.6112.7-175.6179.1-178.52.500109.3
654P32.7Very low32.9Very low114 Ų114136.4 Ų136.474%0.7479%0.786SS**PPolyproline II helixtrans-88136158.2-5.624.9000109.3
655P32.6Very low33Very low122 Ų122139.9 Ų139.979%0.79279%0.792SS**PPolyproline II helixtrans-70.7153.2175.130.8-34.4000111
656A32.6Very low32.6Very low99 Ų99140.8 Ų140.882%0.81880%0.797SS**PPolyproline II helixtrans-82.9130.9172.600000110.4
657D31.7Very low32.4Very low149 Ų149136.9 Ų136.980%0.79778%0.784SS**  trans-151.5112.4151.2-140.7-14.8000110.1
658P36.2Very low32.3Very low124 Ų124135.6 Ų135.681%0.80578%0.78SS**  trans-101.178.1-17437-32000112.3
659S30.6Very low32.1Very low89 Ų89137.8 Ų137.862%0.62278%0.778SS**  trans-155.7156.5162.266.90000113.1
660L36.6Very low32.2Very low145 Ų145143.9 Ų143.976%0.75979%0.788SS**  trans75.7112.2176.3-46.1176.3000114.5
661L33.1Very low31.9Very low139 Ų139146.7 Ų146.773%0.72879%0.792SS**  65.6136.897.4-64.4170.9000113.7
662K34.8Very low31.9Very low174 Ų174144.4 Ų144.476%0.75780%0.795SS**  cis-172.4149.6-13.4-132.7-175.9-163.9176.20106.3
663T29.6Very low31.8Very low130 Ų130139.5 Ų139.580%0.79879%0.786SS**  trans42.9116.3156.545.60000121.2
664S32.4Very low32Very low123 Ų123136.7 Ų136.786%0.8678%0.784SS**  trans-157.9128.7134.6-168.70000109.7
665E31Very low32.2Very low175 Ų175138.4 Ų138.482%0.81879%0.792SS**  trans-97157.8-176.4-58.6170.2141.100110.9
666F30Very low32Very low214 Ų214138.7 Ų138.794%0.93979%0.787SS**  trans-156.6129.7138.6-100.8-67.7000112.3
667S30.3Very low32Very low91 Ų91140.2 Ų140.264%0.63679%0.789SS**  trans-33.8145173.8-176.50000116.4
668S31.9Very low31.8Very low96 Ų96143.8 Ų143.867%0.67179%0.792SS**  cis93.3128.929.6970000115.9
669N30.8Very low31.6Very low145 Ų145143 Ų14378%0.77579%0.789SS**  trans140.9107.3153.3-74.3-20.4000113.9
670F32.3Very low31.6Very low218 Ų218143 Ų14396%0.95680%0.795SS**  -174.9131.8120-109.9-75.5000109.9
671E30.2Very low31.4Very low180 Ų180144.3 Ų144.384%0.84180%0.796SS**  trans-132157.6-163.7178.2171.5-179.300111.5
672S31.4Very low31.5Very low118 Ų118144.7 Ų144.783%0.82580%0.795SS**  trans124.9143.5161.9-59.90000113.7
673S28.9Very low31.5Very low104 Ų104143.5 Ų143.573%0.72780%0.796SS**  cis-169142.6-32.7-1750000107.1
674P32.3Very low31.6Very low122 Ų122143.7 Ų143.779%0.79280%0.797SS**  trans-98.1134.6-174.635.4-31.4000113.9
675V37.4Very low31.3Very low150 Ų150149.2 Ų149.291%0.90980%0.799SS**  trans-133.6142.7171.2-171.70000112
676N27.3Very low31.2Very low128 Ų128143.8 Ų143.868%0.68479%0.79SS**  trans-114.1139.7-166.7137.559000111.7
677C32.6Very low31.2Very low130 Ų130143.8 Ų143.888%0.87879%0.785SS**  trans-150.7135.8159.1-98.20000112.6
678R28.5Very low31.1Very low225 Ų225145.9 Ų145.985%0.84979%0.794SS**  trans-90.1174.5174.5-57.1172.7162.4-175.8-5.5110
679S30.8Very low30.9Very low107 Ų107147.8 Ų147.875%0.74880%0.802SS**  cis-172.1160.18.310.80000112.3
680A30.8Very low30.7Very low89 Ų89144.8 Ų144.874%0.73680%0.797SS**  trans62.4122.3149.800000120.7
681H32.6Very low30.4Very low172 Ų172139.9 Ų139.980%0.79679%0.79SS**  70.1136.172.3-80.2-21000114.4
682Q35.8Very low30.4Very low148 Ų148136.9 Ų136.969%0.69279%0.789SS**  cis-154.4138.744.6-65.7175.846.800111.4
683L34Very low30.4Very low148 Ų148140.2 Ų140.278%0.77579%0.788SS**  73.3148.692.2-64.3174.1000120.1
684T31.7Very low30.7Very low134 Ų134140 Ų14082%0.82278%0.784SS**  trans110.5112.4165.5-46.60000112.5
685R27.8Very low30.6Very low239 Ų239142.1 Ų142.190%0.90279%0.789SS**  cis101.2125.636.7-173.3-173.2-174.7-1631.7111.6
686G27.1Very low30.2Very low62 Ų62143.7 Ų143.764%0.63979%0.786SS**  trans89.5146.7-174.100000111.5
687Y30.8Very low30.4Very low214 Ų214142.3 Ų142.384%0.83979%0.792SS**  cis-144.4158.218.1-77.2-99.9000112.9
688T27.2Very low30.2Very low134 Ų134139.6 Ų139.682%0.82279%0.787SS**  trans-80.4133.5162.743.40000111.3
689V28.2Very low30.4Very low137 Ų137137.4 Ų137.483%0.8379%0.791SS**  trans-145.1130.8156.3-179.80000111.7
690A28Very low30.3Very low81 Ų81137.7 Ų137.767%0.66979%0.793SS**  trans26.1118.315600000122.1S692A690-S692 PolarHBondContact O-N 2.93Å
691S25Very low30.6Very low115 Ų115139.4 Ų139.480%0.80479%0.794SS**  -1.6111.7116.5165.90000116.8
692S31.1Very low30.5Very low117 Ų117134.5 Ų134.582%0.81879%0.79SS**  trans-117.4141.8142.155.30000109A690A690-S692 PolarHBondContact O-N 2.93Å
693K31.1Very low30.1Very low189 Ų189137.8 Ų137.882%0.82280%0.803SS**  trans-80.3163.2-176.8-99.8-175.6179.4175.80111.7
694P33.8Very low30.1Very low98 Ų98135.8 Ų135.864%0.63680%0.801SS**  trans-91.2144.7-158.735.1-34.8000113.1
695D31.6Very low30Very low168 Ų168139.3 Ų139.390%0.89881%0.805SS**  trans-112.1126.9157.2-78.6-49.7000109.9
696H29.4Very low30.2Very low182 Ų182134.8 Ų134.884%0.84379%0.794SS**  trans-77.6147-179.2-71.6-96.5000111.3
697A30.4Very low30.3Very low99 Ų99134.8 Ų134.882%0.81879%0.794SS**  -177.6126.6110.100000112.9
698G28.2Very low30.5Very low74 Ų74131.1 Ų131.176%0.76379%0.794SS**  trans68.4114.1147.500000119.1
699L33Very low30.7Very low179 Ų179131.4 Ų131.494%0.93779%0.785SS**  -157.9124.8108.7-103.4169.1000110.2
700S29.8Very low31.4Very low112 Ų112131.2 Ų131.278%0.78378%0.779SS**  trans-84.1138-177.2176.10000111.2
701T36Very low32.1Very low126 Ų126136.4 Ų136.477%0.77378%0.781SS**  trans-137.6101.316041.10000111.4
702G30.7Very low33.3Very low69 Ų69140 Ų14071%0.71179%0.785SS**  trans45.483.1143.100000118.6S704G702-S704 PolarHBondContact O-N 3.16Å
703F28Very low34.2Very low217 Ų217138.1 Ų138.195%0.95277%0.769SS**  trans-68.384.4153.9-76-79.8000109.8
704S33.1Very low35.2Very low105 Ų105133.1 Ų133.173%0.73475%0.752SS**  trans-60141.2161.9-174.50000109.1G702 E706G702-S704 PolarHBondContact O-N 3.16Å; S704-E706 PolarHBondContact O-N 3.43Å
705K29.8Very low36.4Very low209 Ų209130.6 Ų130.691%0.90974%0.735SS**  trans-70.477.9168-76.2177.2174.7173.90108.9G707K705-G707 PolarHBondContact O-N 2.89Å
706E31.1Very low37.8Very low144 Ų144126.8 Ų126.867%0.67372%0.722SS**  trans-73.581167.5-163.9158.7-157.600108.1S704 T708S704-E706 PolarHBondContact O-N 3.43Å; E706-T708 PolarHBondContact O-N 2.92Å
707G31.1Very low39.4Very low61 Ų61122.2 Ų122.263%0.62970%0.702SS**  trans-51.3135.1163.200000107.9K705 H709K705-G707 PolarHBondContact O-N 2.89Å; G707-H709 PolarHBondContact O-N 2.95Å
708T33.4Very low41.4Very low137 Ų137118 Ų11884%0.8467%0.666SS**  trans-54.977.2-158.147.30000114.8E706 L710E706-T708 PolarHBondContact O-N 2.92Å; T708-L710 PolarHBondContact O-N 2.95Å
709H31.8Very low43.6Very low140 Ų140118.1 Ų118.165%0.64865%0.652SS**  trans-77.777.1162.1-164.7-61.4000105.9G707 R711G707-H709 PolarHBondContact O-N 2.95Å; H709-R711 VanDerWaalsContact C-N 3.27Å; H709-R711 PolarHBondContact O-N 3.33Å
710L42.4Very low45.4Very low134 Ų134115.2 Ų115.270%0.70264%0.642SS**  trans-49.399167.9-96.2162.5000106.9T708 E712T708-L710 PolarHBondContact O-N 2.95Å; L710-E712 PolarHBondContact O-N 3.48Å
711R44.2Very low47.3Very low190 Ų190113 Ų11372%0.71763%0.629SS**  trans-51.4127.9169.2-79.3-83.1-179.6164.5-1.8105.1H709 T713H709-R711 VanDerWaalsContact C-N 3.27Å; H709-R711 PolarHBondContact O-N 3.33Å; R711-T713 PolarHBondContact O-N 2.83Å; R711-T713 PolarHBondContact O-OG1 3.28Å; R711-T713 VanDerWaalsContact O-OG1 3.1Å
712E49.4Very low48.9Very low189 Ų189111.5 Ų111.588%0.88361%0.614SS**  trans-66.178.7-179.4-169.3170.1-155.800108.2L710 D714L710-E712 PolarHBondContact O-N 3.48Å; E712-D714 PolarHBondContact O-N 3.28Å
713T50.4Low50.9Low78 Ų78113.1 Ų113.148%0.47960%0.599SS.*  trans-76.6112.8-173.8-61.70000107.1R711 P715R711-T713 PolarHBondContact O-N 2.83Å; R711-T713 PolarHBondContact O-OG1 3.28Å; R711-T713 VanDerWaalsContact O-OG1 3.1Å; T713-P715 VanDerWaalsContact O-N 3.14Å
714D51.4Low53.1Low85 Ų85105.4 Ų105.446%0.45558%0.575SS.*  trans-45.5120.1177.6174.1-3000110E712 S716 I717E712-D714 PolarHBondContact O-N 3.28Å; D714-S716 PolarHBondContact O-N 3.17Å; D714-S716 WeakPolarHBondContact OD1-CB 3.44Å; D714-S716 PolarHBondContact OD1-N 3.22Å; D714-I717 HydrophobicContact CB-CD1 3.96Å; D714-I717 HydrophobicContact CB-CG1 4.01Å; D714-I717 PolarHBondContact O-N 3.02Å
715P58.9Low55.1Low44 Ų44107.4 Ų107.429%0.28657%0.57SS.*THydrogen-bonded Turntrans-61.7-11.1-177.325.1-34.6000113.2T713 I717T713-P715 VanDerWaalsContact O-N 3.14Å; P715-I717 VanDerWaalsContact C-N 3.32Å
716S61.3Low57.2Low89 Ų89100.2 Ų100.262%0.62254%0.54SS*.THydrogen-bonded Turntrans-68.2-23.7168.6-173.40000114.3D714D714-S716 PolarHBondContact O-N 3.17Å; D714-S716 WeakPolarHBondContact OD1-CB 3.44Å; D714-S716 PolarHBondContact OD1-N 3.22Å
717I62.7Low59.2Low85 Ų85101 Ų10144%0.43654%0.537SS..THydrogen-bonded Turntrans-103.8-18.4-173.1-35.7176.3000111.4D714 P715D714-I717 HydrophobicContact CB-CD1 3.96Å; D714-I717 HydrophobicContact CB-CG1 4.01Å; D714-I717 PolarHBondContact O-N 3.02Å; P715-I717 VanDerWaalsContact C-N 3.32Å
718M72.3Confident61.3Low12 Ų12103.5 Ų103.56%0.05954%0.535CS..  trans-68130-176.5-172.3154.156.900112.5E722 R723 Q726M718-E722 HydrophobicContact CG-CB 3.38Å; M718-E722 HydrophobicContact SD-CB 3.89Å; M718-R723 HydrophobicContact CB-CG 4.49Å; M718-R723 HydrophobicContact CE-CB 4.46Å; M718-R723 HydrophobicContact CE-CG 3.51Å; M718-R723 HydrophobicContact CG-CG 4.11Å; M718-R723 PolarHBondContact O-NE 2.76Å; M718-R723 PolarHBondContact O-NH2 2.9Å; M718-R723 HydrophobicContact SD-CG 4.39Å; M718-Q726 HydrophobicContact CE-CG 4.47Å; M718-Q726 VanDerWaalsContact SD-CD 3.51Å; M718-Q726 HydrophobicContact SD-CG 4.09Å; M718-Q726 PolarHBondContact SD-NE2 2.87Å
719T75.1Confident63.4Low75 Ų75102.3 Ų102.346%0.4652%0.523SS..  trans-63.6161.2176.963.80000111.6A721 E722 R723T719-A721 PolarHBondContact O-N 3.38Å; T719-E722 VanDerWaalsContact CB-OE2 3.3Å; T719-E722 WeakPolarHBondContact CB-OE2 3.49Å; T719-E722 WeakPolarHBondContact CG2-OE2 3.45Å; T719-E722 PolarHBondContact N-OE2 3.26Å; T719-E722 PolarHBondContact O-N 3.5Å; T719-E722 WeakPolarHBondContact OG1-CB 3.46Å; T719-E722 VanDerWaalsContact OG1-CD 3.26Å; T719-E722 VanDerWaalsContact OG1-CG 3.26Å; T719-E722 WeakPolarHBondContact OG1-CG 3.49Å; T719-E722 PolarHBondContact OG1-N 3.11Å; T719-E722 PolarHBondContact OG1-OE2 2.85Å; T719-R723 PolarHBondContact O-N 3.2Å
720V70.5Confident65.2Low119 Ų11997.3 Ų97.372%0.72151%0.506SS*.Hα-helixtrans-60.1-38.4176.7-179.90000111R723 A724V720-R723 PolarHBondContact O-N 2.96Å; V720-A724 WeakPolarHBondContact O-CB 3.41Å; V720-A724 PolarHBondContact O-N 3.16Å
721A70.6Confident66.4Low64 Ų6496.6 Ų96.653%0.52950%0.499SS..Hα-helixtrans-67.2-40.517800000112.7T719 A724 K725T719-A721 PolarHBondContact O-N 3.38Å; A721-A724 PolarHBondContact O-N 3.14Å; A721-K725 WeakPolarHBondContact O-CG 3.48Å; A721-K725 PolarHBondContact O-N 3.2Å
722E69.2Low67.4Low96 Ų9692 Ų9245%0.44950%0.496SS..Hα-helixtrans-68-38.9174.3-72.5163133.900112M718 T719 A724 K725 Q726M718-E722 HydrophobicContact CG-CB 3.38Å; M718-E722 HydrophobicContact SD-CB 3.89Å; T719-E722 VanDerWaalsContact CB-OE2 3.3Å; T719-E722 WeakPolarHBondContact CB-OE2 3.49Å; T719-E722 WeakPolarHBondContact CG2-OE2 3.45Å; T719-E722 PolarHBondContact N-OE2 3.26Å; T719-E722 PolarHBondContact O-N 3.5Å; T719-E722 WeakPolarHBondContact OG1-CB 3.46Å; T719-E722 VanDerWaalsContact OG1-CD 3.26Å; T719-E722 VanDerWaalsContact OG1-CG 3.26Å; T719-E722 WeakPolarHBondContact OG1-CG 3.49Å; T719-E722 PolarHBondContact OG1-N 3.11Å; T719-E722 PolarHBondContact OG1-OE2 2.85Å; E722-A724 PolarHBondContact O-N 2.88Å; E722-K725 PolarHBondContact O-N 3.49Å; E722-Q726 PolarHBondContact O-N 3.41Å
723R72.7Confident67.8Low103 Ų10386.3 Ų86.339%0.38948%0.477SS..Hα-helixtrans-58.2-46.5171.7-99.7178.4-84.6-167.4-9.5111.8M718 T719 V720 Q726 W727M718-R723 HydrophobicContact CB-CG 4.49Å; M718-R723 HydrophobicContact CE-CB 4.46Å; M718-R723 HydrophobicContact CE-CG 3.51Å; M718-R723 HydrophobicContact CG-CG 4.11Å; M718-R723 PolarHBondContact O-NE 2.76Å; M718-R723 PolarHBondContact O-NH2 2.9Å; M718-R723 HydrophobicContact SD-CG 4.39Å; T719-R723 PolarHBondContact O-N 3.2Å; V720-R723 PolarHBondContact O-N 2.96Å; R723-Q726 PolarHBondContact O-N 3Å; R723-W727 WeakPolarHBondContact O-CB 3.39Å; R723-W727 PolarHBondContact O-N 3.36Å
724A73.3Confident67.7Low55 Ų5585.7 Ų85.746%0.45549%0.486SS..Hα-helixtrans-62.7-41.1176.200000112.1V720 A721 E722 W727 L728V720-A724 WeakPolarHBondContact O-CB 3.41Å; V720-A724 PolarHBondContact O-N 3.16Å; A721-A724 PolarHBondContact O-N 3.14Å; E722-A724 PolarHBondContact O-N 2.88Å; A724-W727 PolarHBondContact O-N 3.4Å; A724-L728 WeakPolarHBondContact O-CB 3.3Å; A724-L728 PolarHBondContact O-N 2.96Å
725K75Confident67.5Low146 Ų14690.3 Ų90.364%0.63550%0.499SS*.Hα-helixtrans-63.6-45.8174.9-76178.4178.4-177.10112.5A721 E722 W727 L728 L729A721-K725 WeakPolarHBondContact O-CG 3.48Å; A721-K725 PolarHBondContact O-N 3.2Å; E722-K725 PolarHBondContact O-N 3.49Å; K725-W727 VanDerWaalsContact C-N 3.34Å; K725-W727 PolarHBondContact O-N 3.35Å; K725-L728 PolarHBondContact O-N 3.25Å; K725-L729 WeakPolarHBondContact O-CB 3.43Å; K725-L729 VanDerWaalsContact O-CG 3.3Å; K725-L729 WeakPolarHBondContact O-CG 3.47Å; K725-L729 PolarHBondContact O-N 3.45Å
726Q73.6Confident66.7Low58 Ų5899.3 Ų99.327%0.27153%0.527SS..Hα-helixtrans-63.8-39.1176.2-75.1-162.34.400111.9M718 E722 R723 L729 A730M718-Q726 HydrophobicContact CE-CG 4.47Å; M718-Q726 VanDerWaalsContact SD-CD 3.51Å; M718-Q726 HydrophobicContact SD-CG 4.09Å; M718-Q726 PolarHBondContact SD-NE2 2.87Å; E722-Q726 PolarHBondContact O-N 3.41Å; R723-Q726 PolarHBondContact O-N 3Å; Q726-L729 PolarHBondContact O-N 2.93Å; Q726-A730 WeakPolarHBondContact O-CB 3.38Å; Q726-A730 PolarHBondContact O-N 2.86Å
727W74.1Confident65.9Low162 Ų162100 Ų10061%0.61452%0.52SS*.Hα-helixtrans-62.1-45.5174.3-177.484.1000111.7R723 A724 K725 L729 A730 Q731R723-W727 WeakPolarHBondContact O-CB 3.39Å; R723-W727 PolarHBondContact O-N 3.36Å; A724-W727 PolarHBondContact O-N 3.4Å; K725-W727 VanDerWaalsContact C-N 3.34Å; K725-W727 PolarHBondContact O-N 3.35Å; W727-L729 VanDerWaalsContact C-N 3.34Å; W727-L729 PolarHBondContact O-N 2.96Å; W727-A730 WeakPolarHBondContact O-CB 3.38Å; W727-A730 PolarHBondContact O-N 2.84Å; W727-A730 VanDerWaalsContact O-N 3.16Å; W727-Q731 HydrophobicContact CD2-CG 4.18Å; W727-Q731 HydrophobicContact CE3-CG 4.32Å; W727-Q731 HydrophobicContact CH2-CG 4.23Å; W727-Q731 HydrophobicContact CZ2-CG 4.08Å; W727-Q731 HydrophobicContact CZ3-CG 4.35Å; W727-Q731 WeakPolarHBondContact O-CG 3.43Å; W727-Q731 PolarHBondContact O-N 3.36Å
728L75.7Confident65.3Low112 Ų112102 Ų10259%0.58654%0.537SS*.Hα-helixtrans-65.3-35.5177.2-164.471.4000112.6A724 K725 Q731 S732A724-L728 WeakPolarHBondContact O-CB 3.3Å; A724-L728 PolarHBondContact O-N 2.96Å; K725-L728 PolarHBondContact O-N 3.25Å; L728-Q731 PolarHBondContact O-N 2.64Å; L728-S732 WeakPolarHBondContact O-CB 3.47Å; L728-S732 PolarHBondContact O-N 3.4Å; L728-S732 PolarHBondContact O-OG 3.08Å
729L75.8Confident64Low113 Ų113108.7 Ų108.759%0.59257%0.568SS**Hα-helixtrans-67.5-36.3172.4-73.7167.3000112K725 Q726 W727 S732 S733K725-L729 WeakPolarHBondContact O-CB 3.43Å; K725-L729 VanDerWaalsContact O-CG 3.3Å; K725-L729 WeakPolarHBondContact O-CG 3.47Å; K725-L729 PolarHBondContact O-N 3.45Å; Q726-L729 PolarHBondContact O-N 2.93Å; W727-L729 VanDerWaalsContact C-N 3.34Å; W727-L729 PolarHBondContact O-N 2.96Å; L729-S732 WeakPolarHBondContact CA-OG 3.41Å; L729-S732 PolarHBondContact O-OG 3.42Å; L729-S733 VanDerWaalsContact O-CB 3.27Å; L729-S733 WeakPolarHBondContact O-CB 3.5Å; L729-S733 PolarHBondContact O-N 3.41Å; L729-S733 PolarHBondContact O-OG 2.93Å
730A70.3Confident62.5Low35 Ų35113.5 Ų113.529%0.28958%0.577SS.*Hα-helixtrans-68.2-39.5174.200000112Q726 W727 S733Q726-A730 WeakPolarHBondContact O-CB 3.38Å; Q726-A730 PolarHBondContact O-N 2.86Å; W727-A730 WeakPolarHBondContact O-CB 3.38Å; W727-A730 PolarHBondContact O-N 2.84Å; W727-A730 VanDerWaalsContact O-N 3.16Å; A730-S733 PolarHBondContact O-OG 3.22Å
731Q67.8Low61.1Low119 Ų119114.4 Ų114.456%0.55657%0.569SS**Hα-helixtrans-64.8-45.1173.9-64.2-62.5-15.700112.1W727 L728W727-Q731 HydrophobicContact CD2-CG 4.18Å; W727-Q731 HydrophobicContact CE3-CG 4.32Å; W727-Q731 HydrophobicContact CH2-CG 4.23Å; W727-Q731 HydrophobicContact CZ2-CG 4.08Å; W727-Q731 HydrophobicContact CZ3-CG 4.35Å; W727-Q731 WeakPolarHBondContact O-CG 3.43Å; W727-Q731 PolarHBondContact O-N 3.36Å; L728-Q731 PolarHBondContact O-N 2.64Å
732S64.7Low59.8Low92 Ų92116.8 Ų116.864%0.64358%0.581SS**Hα-helixtrans-76.7-21.2-176.451.70000114.7L728 L729 G734L728-S732 WeakPolarHBondContact O-CB 3.47Å; L728-S732 PolarHBondContact O-N 3.4Å; L728-S732 PolarHBondContact O-OG 3.08Å; L729-S732 WeakPolarHBondContact CA-OG 3.41Å; L729-S732 PolarHBondContact O-OG 3.42Å; S732-G734 VanDerWaalsContact C-N 3.33Å
733S58.7Low58.6Low70 Ų70118.2 Ų118.249%0.4960%0.597SS.*THydrogen-bonded Turntrans-82.2-3.3177.753.70000114.7L729 A730 Y735L729-S733 VanDerWaalsContact O-CB 3.27Å; L729-S733 WeakPolarHBondContact O-CB 3.5Å; L729-S733 PolarHBondContact O-N 3.41Å; L729-S733 PolarHBondContact O-OG 2.93Å; A730-S733 PolarHBondContact O-OG 3.22Å; S733-Y735 PolarHBondContact O-N 3.34Å
734G49.1Very low57.1Low65 Ų65114.9 Ų114.967%0.6759%0.59SS**  trans69.6-8.5176.300000115.6S732 R736S732-G734 VanDerWaalsContact C-N 3.33Å; G734-R736 PolarHBondContact O-N 3.2Å
735Y45.8Very low55.4Low183 Ų183116 Ų11672%0.71861%0.606SS**  trans-76.899.1173.6-87.4-97.1000110.1S733 E737S733-Y735 PolarHBondContact O-N 3.34Å; Y735-E737 PolarHBondContact O-N 3.03Å
736R42.7Very low53.9Low233 Ų233117.6 Ų117.688%0.87961%0.614SS**  trans-6872.9161.7-71.7-163.8180-142.23.3110.1G734 T738G734-R736 PolarHBondContact O-N 3.2Å; R736-T738 PolarHBondContact O-N 2.98Å; R736-T738 PolarHBondContact O-OG1 2.87Å; R736-T738 VanDerWaalsContact O-OG1 3.09Å
737E44.7Very low52.5Low104 Ų104118.5 Ų118.549%0.48662%0.619SS.*  trans-80.669.3172.2-170.4143.4-170.200110.2Y735 Q739 R740Y735-E737 PolarHBondContact O-N 3.03Å; E737-Q739 PolarHBondContact O-N 2.97Å; E737-R740 HydrophobicContact CG-CG 4.29Å; E737-R740 IonicContact OE1-CZ 3.64Å; E737-R740 IonicContact OE1-NE 2.81Å; E737-R740 PolarHBondContact OE1-NE 3.2Å; E737-R740 IonicContact OE1-NH2 3.65Å
738T49.3Very low51Low127 Ų127115.8 Ų115.878%0.77962%0.617SS**THydrogen-bonded Turntrans-65.514.1-173.2-23.50000114.9R736R736-T738 PolarHBondContact O-N 2.98Å; R736-T738 PolarHBondContact O-OG1 2.87Å; R736-T738 VanDerWaalsContact O-OG1 3.09Å
739Q45.7Very low49.3Very low152 Ų152116.9 Ų116.971%0.7162%0.619SS**THydrogen-bonded Turntrans-132-2.7-163.5-65.7-164.40.600116.9E737E737-Q739 PolarHBondContact O-N 2.97Å
740R43.9Very low48Very low176 Ų176117.5 Ų117.566%0.66462%0.623SS**SBendtrans-113-4.8-173.8-64.8-159.5-166.8-139.93.3118E737E737-R740 HydrophobicContact CG-CG 4.29Å; E737-R740 IonicContact OE1-CZ 3.64Å; E737-R740 IonicContact OE1-NE 2.81Å; E737-R740 PolarHBondContact OE1-NE 3.2Å; E737-R740 IonicContact OE1-NH2 3.65Å
741Y39.5Very low47Very low137 Ų137120.7 Ų120.754%0.53763%0.634SS.*  trans-10563.8176.5-61.4-71.9000111.9
742S43.3Very low46.1Very low114 Ų114118.8 Ų118.880%0.79763%0.631SS**  trans-138.232-174.3-137.70000114.4
743T43.9Very low45.2Very low127 Ų127120.2 Ų120.278%0.77963%0.631SS**SBendtrans-132.5-4.8-178.650.10000114.9
744S41.3Very low44.4Very low33 Ų33119.8 Ų119.823%0.23163%0.628CS.*  trans-104.1109.4174-172.40000109.9F746S744-F746 PolarHBondContact O-N 2.71Å
745G38.6Very low44.3Very low78 Ų78125.2 Ų125.280%0.80464%0.635SS**THydrogen-bonded Turntrans-72.742.6-18000000114.4
746F44.4Very low44.5Very low180 Ų180123.8 Ų123.879%0.78964%0.64SS**THydrogen-bonded Turntrans-1369.6-179.2-69.7-76000112.6S744S744-F746 PolarHBondContact O-N 2.71Å
747I43.5Very low45Very low77 Ų77117.3 Ų117.340%0.39562%0.623SS.*SBendtrans-84.1119159.5-51.3176.1000104.8Q749 V752I747-Q749 PolarHBondContact O-N 3.28Å; I747-Q749 VanDerWaalsContact O-N 3.14Å; I747-V752 HydrophobicContact CG2-CG2 3.53Å
748D41.6Very low45.4Very low104 Ų104114.7 Ų114.756%0.55661%0.614SS**  trans-56.5121.9171-69.6-43000107.5D750 L751D748-D750 HydrophobicContact CB-CB 4.36Å; D748-D750 PolarHBondContact O-N 3.49Å; D748-L751 HydrophobicContact CB-CB 4.43Å; D748-L751 HydrophobicContact CB-CD1 4.2Å; D748-L751 HydrophobicContact CB-CG 4.23Å; D748-L751 WeakPolarHBondContact O-CB 3.37Å; D748-L751 PolarHBondContact O-N 3.05Å
749Q41.5Very low45.7Very low135 Ų135111.6 Ų111.663%0.63160%0.596SS**Hα-helixtrans-55.6-36.6178-13877.347.800109.7I747 L751 V752 D753I747-Q749 PolarHBondContact O-N 3.28Å; I747-Q749 VanDerWaalsContact O-N 3.14Å; Q749-L751 PolarHBondContact O-N 2.92Å; Q749-L751 VanDerWaalsContact O-N 3.16Å; Q749-V752 WeakPolarHBondContact O-CA 3.4Å; Q749-V752 PolarHBondContact O-N 2.93Å; Q749-D753 PolarHBondContact O-N 3.2Å
750D47.1Very low46.1Very low127 Ų127108.1 Ų108.168%0.67959%0.585SS**Hα-helixtrans-50-32.2170.9-50.66.6000113.8D748 C754D748-D750 HydrophobicContact CB-CB 4.36Å; D748-D750 PolarHBondContact O-N 3.49Å; D750-C754 PolarHBondContact O-SG 3.31Å
751L50.4Low46.6Very low101 Ų101105.7 Ų105.753%0.52958%0.581SS.*Hα-helixtrans-85.4-18.7176.2-76.1171.9000113.5D748 Q749D748-L751 HydrophobicContact CB-CB 4.43Å; D748-L751 HydrophobicContact CB-CD1 4.2Å; D748-L751 HydrophobicContact CB-CG 4.23Å; D748-L751 WeakPolarHBondContact O-CB 3.37Å; D748-L751 PolarHBondContact O-N 3.05Å; Q749-L751 PolarHBondContact O-N 2.92Å; Q749-L751 VanDerWaalsContact O-N 3.16Å
752V47.5Very low47.4Very low80 Ų80102.2 Ų102.249%0.48557%0.572SS.*Hα-helixtrans-87.6-32.4176.5-175.20000111I747 Q749 C754I747-V752 HydrophobicContact CG2-CG2 3.53Å; Q749-V752 WeakPolarHBondContact O-CA 3.4Å; Q749-V752 PolarHBondContact O-N 2.93Å; V752-C754 PolarHBondContact O-N 3.39Å
753D47.6Very low48Very low121 Ų121102.2 Ų102.265%0.64755%0.554SS**SBendtrans-77.3-9.9173.5-69-23.9000112.7Q749 Q755Q749-D753 PolarHBondContact O-N 3.2Å; D753-Q755 PolarHBondContact O-N 2.89Å
754C41Very low48.8Very low61 Ų6199.6 Ų99.641%0.41254%0.538SS..  trans-73.966.1169.7-75.70000112.6D750 V752 D756 L757D750-C754 PolarHBondContact O-SG 3.31Å; V752-C754 PolarHBondContact O-N 3.39Å; C754-D756 PolarHBondContact O-N 3.17Å; C754-L757 HydrophobicContact CB-CD1 4.09Å; C754-L757 HydrophobicContact CB-CG 3.94Å; C754-L757 PolarHBondContact O-N 3.05Å
755Q47.3Very low49.9Very low179 Ų179103.5 Ų103.584%0.83655%0.551SS**THydrogen-bonded Turntrans-64.1-15.7167.9-67.7-179.415.300112.6D753D753-Q755 PolarHBondContact O-N 2.89Å
756D50.3Low50.6Low153 Ų153105.4 Ų105.482%0.81854%0.54SS*.THydrogen-bonded Turntrans-96.131.4175.4-65.7-34.8000113.5C754 V758C754-D756 PolarHBondContact O-N 3.17Å; D756-V758 PolarHBondContact O-N 3.42Å
757L53.4Low51.2Low97 Ų97104.3 Ų104.351%0.50854%0.535SS..  trans-70.978.2167-90.1167.7000110.7C754C754-L757 HydrophobicContact CB-CD1 4.09Å; C754-L757 HydrophobicContact CB-CG 3.94Å; C754-L757 PolarHBondContact O-N 3.05Å
758V53Low51.7Low50 Ų50105.1 Ų105.130%0.30354%0.541SS..  trans-48.5126.7166.8-1780000108.4D756 D762 R763 M766D756-V758 PolarHBondContact O-N 3.42Å; V758-D762 HydrophobicContact CG1-CB 3.54Å; V758-R763 HydrophobicContact CB-CG 3.8Å; V758-R763 HydrophobicContact CG1-CG 3.72Å; V758-R763 PolarHBondContact O-NE 3.04Å; V758-R763 PolarHBondContact O-NH2 3.29Å; V758-M766 HydrophobicContact CG1-CE 4.39Å
759P55.1Low52.2Low62 Ų62105.3 Ų105.340%0.40354%0.54SS..  trans-49.1154178.1-29.635.2000112.4E761 D762 R763P759-E761 WeakPolarHBondContact CB-OE2 3.26Å; P759-E761 PolarHBondContact O-N 3.05Å; P759-D762 HydrophobicContact CB-CB 4.34Å; P759-D762 PolarHBondContact O-N 3.15Å; P759-D762 VanDerWaalsContact O-N 3.14Å; P759-R763 PolarHBondContact O-N 3.06Å
760V53.6Low52.5Low79 Ų79100.8 Ų100.848%0.47953%0.53SS..Hα-helixtrans-59.5-37.3177.8176.20000109.7D762 R763 V764V760-D762 PolarHBondContact O-N 3.3Å; V760-R763 PolarHBondContact O-N 2.81Å; V760-V764 HydrophobicContact CG1-CG2 4.26Å; V760-V764 WeakPolarHBondContact O-CB 3.48Å; V760-V764 VanDerWaalsContact O-CG2 3.26Å; V760-V764 WeakPolarHBondContact O-CG2 3.26Å; V760-V764 PolarHBondContact O-N 2.76Å
761E55.6Low52.6Low124 Ų12497.3 Ų97.358%0.57952%0.519SS*.Hα-helixtrans-61.8-41.2177.8-58.766.6-145.800111.5P759 K765P759-E761 WeakPolarHBondContact CB-OE2 3.26Å; P759-E761 PolarHBondContact O-N 3.05Å; E761-K765 VanDerWaalsContact O-CG 3.28Å; E761-K765 WeakPolarHBondContact O-CG 3.17Å; E761-K765 PolarHBondContact O-N 3Å
762D55.6Low52.4Low64 Ų6495.2 Ų95.234%0.34251%0.513SS..Hα-helixtrans-82.9-26.3178.7-70-22.1000112.2V758 P759 V760 K765 M766V758-D762 HydrophobicContact CG1-CB 3.54Å; P759-D762 HydrophobicContact CB-CB 4.34Å; P759-D762 PolarHBondContact O-N 3.15Å; P759-D762 VanDerWaalsContact O-N 3.14Å; V760-D762 PolarHBondContact O-N 3.3Å; D762-K765 IonicContact OD1-NZ 2.85Å; D762-K765 PolarHBondContact OD1-NZ 3.21Å; D762-M766 WeakPolarHBondContact O-CB 3.47Å; D762-M766 WeakPolarHBondContact O-CG 3.48Å; D762-M766 PolarHBondContact O-N 2.68Å
763R56.3Low52.4Low114 Ų11496.7 Ų96.743%0.4352%0.517SS..Hα-helixtrans-69.1-40.8167.4-75.2-177.2-70.6-157.8-4111.8V758 P759 V760 M766 F767V758-R763 HydrophobicContact CB-CG 3.8Å; V758-R763 HydrophobicContact CG1-CG 3.72Å; V758-R763 PolarHBondContact O-NE 3.04Å; V758-R763 PolarHBondContact O-NH2 3.29Å; P759-R763 PolarHBondContact O-N 3.06Å; V760-R763 PolarHBondContact O-N 2.81Å; R763-M766 PolarHBondContact O-N 3.19Å; R763-F767 VanDerWaalsContact O-CB 3.28Å; R763-F767 WeakPolarHBondContact O-CB 3.34Å; R763-F767 PolarHBondContact O-N 2.95Å
764V61Low52.3Low72 Ų7293.8 Ų93.844%0.43652%0.516SS..Hα-helixtrans-64.4-46.6172.8169.80000109.5V760 M766 F767 D768V760-V764 HydrophobicContact CG1-CG2 4.26Å; V760-V764 WeakPolarHBondContact O-CB 3.48Å; V760-V764 VanDerWaalsContact O-CG2 3.26Å; V760-V764 WeakPolarHBondContact O-CG2 3.26Å; V760-V764 PolarHBondContact O-N 2.76Å; V764-M766 PolarHBondContact O-N 3.45Å; V764-F767 CarbonylContact O-C 3.54Å; V764-F767 PolarHBondContact O-N 3.43Å; V764-D768 WeakPolarHBondContact CG1-OD2 3.43Å; V764-D768 WeakPolarHBondContact O-CB 3.31Å; V764-D768 VanDerWaalsContact O-CG 3.26Å; V764-D768 PolarHBondContact O-N 3.41Å
765K62.7Low52.5Low115 Ų11599 Ų9950%0.553%0.534SS..Hα-helixtrans-57.7-44.6171.3-74173.4-158.8154.50113E761 D762 F767 D768 I769E761-K765 VanDerWaalsContact O-CG 3.28Å; E761-K765 WeakPolarHBondContact O-CG 3.17Å; E761-K765 PolarHBondContact O-N 3Å; D762-K765 IonicContact OD1-NZ 2.85Å; D762-K765 PolarHBondContact OD1-NZ 3.21Å; K765-F767 VanDerWaalsContact C-N 3.27Å; K765-F767 PolarHBondContact O-N 3.49Å; K765-D768 PolarHBondContact O-N 2.82Å; K765-I769 VanDerWaalsContact O-CB 3.23Å; K765-I769 WeakPolarHBondContact O-CB 3.35Å; K765-I769 WeakPolarHBondContact O-CD1 3.46Å; K765-I769 WeakPolarHBondContact O-CG1 3.26Å; K765-I769 PolarHBondContact O-N 2.95Å
766M55Low52.2Low119 Ų11997 Ų9759%0.58653%0.525SS*.Hα-helixtrans-66.3-30.4176.4-75.3-155.9-50.900112.4V758 D762 R763 V764 G770V758-M766 HydrophobicContact CG1-CE 4.39Å; D762-M766 WeakPolarHBondContact O-CB 3.47Å; D762-M766 WeakPolarHBondContact O-CG 3.48Å; D762-M766 PolarHBondContact O-N 2.68Å; R763-M766 PolarHBondContact O-N 3.19Å; V764-M766 PolarHBondContact O-N 3.45Å; M766-G770 PolarHBondContact O-N 3.36Å
767F56.4Low51.6Low157 Ų15794.8 Ų94.869%0.68952%0.517SS*.Hα-helixtrans-74.9-39.6175.5-160.6-92.3000111.7R763 V764 K765 G770 A771R763-F767 VanDerWaalsContact O-CB 3.28Å; R763-F767 WeakPolarHBondContact O-CB 3.34Å; R763-F767 PolarHBondContact O-N 2.95Å; V764-F767 CarbonylContact O-C 3.54Å; V764-F767 PolarHBondContact O-N 3.43Å; K765-F767 VanDerWaalsContact C-N 3.27Å; K765-F767 PolarHBondContact O-N 3.49Å; F767-G770 CarbonylContact O-C 3.59Å; F767-G770 PolarHBondContact O-N 3.1Å; F767-A771 VanDerWaalsContact O-CB 3.27Å; F767-A771 WeakPolarHBondContact O-CB 3.2Å; F767-A771 PolarHBondContact O-N 3.27Å
768D53Low51Low94 Ų9499.3 Ų99.350%0.50354%0.536SS..Hα-helixtrans-69.3-37.6174-68-23.7000111.2V764 K765 S772V764-D768 WeakPolarHBondContact CG1-OD2 3.43Å; V764-D768 WeakPolarHBondContact O-CB 3.31Å; V764-D768 VanDerWaalsContact O-CG 3.26Å; V764-D768 PolarHBondContact O-N 3.41Å; K765-D768 PolarHBondContact O-N 2.82Å; D768-S772 WeakPolarHBondContact O-CB 3.21Å; D768-S772 PolarHBondContact O-N 3.21Å; D768-S772 PolarHBondContact O-OG 2.83Å
769I52.6Low50.5Low107 Ų107105.6 Ų105.655%0.54956%0.559SS.*Hα-helixtrans-65.6-40.3169.1-68.6163000109.7K765 S772 L773K765-I769 VanDerWaalsContact O-CB 3.23Å; K765-I769 WeakPolarHBondContact O-CB 3.35Å; K765-I769 WeakPolarHBondContact O-CD1 3.46Å; K765-I769 WeakPolarHBondContact O-CG1 3.26Å; K765-I769 PolarHBondContact O-N 2.95Å; I769-S772 WeakPolarHBondContact CA-OG 3.46Å; I769-S772 PolarHBondContact O-OG 3.3Å; I769-L773 WeakPolarHBondContact O-CB 3.35Å; I769-L773 PolarHBondContact O-N 3.38Å
770G49.1Very low49.4Very low41 Ų41108 Ų10842%0.42358%0.578SS.*Hα-helixtrans-66.5-39.5175.500000113.7M766 F767 G774M766-G770 PolarHBondContact O-N 3.36Å; F767-G770 CarbonylContact O-C 3.59Å; F767-G770 PolarHBondContact O-N 3.1Å; G770-G774 PolarHBondContact O-N 2.73Å
771A48.7Very low48.8Very low53 Ų53109 Ų10944%0.43859%0.585SS.*Hα-helixtrans-74.9-40.1178.300000111.9F767 G774 Q775F767-A771 VanDerWaalsContact O-CB 3.27Å; F767-A771 WeakPolarHBondContact O-CB 3.2Å; F767-A771 PolarHBondContact O-N 3.27Å; A771-G774 PolarHBondContact O-N 2.88Å; A771-Q775 PolarHBondContact O-N 2.97Å; A771-Q775 VanDerWaalsContact O-N 3.15Å
772S46.1Very low48Very low58 Ų58110.4 Ų110.441%0.40659%0.592SS.*Hα-helixtrans-71.5-34.617359.30000112.2D768 I769 G774 Q775 Q776D768-S772 WeakPolarHBondContact O-CB 3.21Å; D768-S772 PolarHBondContact O-N 3.21Å; D768-S772 PolarHBondContact O-OG 2.83Å; I769-S772 WeakPolarHBondContact CA-OG 3.46Å; I769-S772 PolarHBondContact O-OG 3.3Å; S772-G774 VanDerWaalsContact C-N 3.32Å; S772-Q775 CarbonylContact O-C 3.54Å; S772-Q775 PolarHBondContact O-N 2.8Å; S772-Q776 VanDerWaalsContact O-CB 3.32Å; S772-Q776 WeakPolarHBondContact O-CB 3.49Å; S772-Q776 WeakPolarHBondContact O-CG 3.43Å; S772-Q776 PolarHBondContact O-N 3.31Å
773L47.8Very low47.5Very low110 Ų110113 Ų11358%0.57661%0.609SS**Hα-helixtrans-64.5-38.9169.1-169.668.3000110.8I769 Q775 Q776 T777I769-L773 WeakPolarHBondContact O-CB 3.35Å; I769-L773 PolarHBondContact O-N 3.38Å; L773-Q775 PolarHBondContact O-N 3.2Å; L773-Q776 PolarHBondContact O-N 2.85Å; L773-T777 WeakPolarHBondContact O-CB 3.4Å; L773-T777 PolarHBondContact O-N 2.9Å; L773-T777 PolarHBondContact O-OG1 3.2Å
774G44.7Very low47.2Very low60 Ų60116.4 Ų116.462%0.61963%0.628SS**Hα-helixtrans-59.2-27.117200000114.7G770 A771 S772G770-G774 PolarHBondContact O-N 2.73Å; A771-G774 PolarHBondContact O-N 2.88Å; S772-G774 VanDerWaalsContact C-N 3.32Å
775Q45.4Very low46.7Very low170 Ų170115.6 Ų115.679%0.79463%0.625SS**Hα-helixtrans-105.4-15.6176.4-63.6-162.111.300114.8A771 S772 L773A771-Q775 PolarHBondContact O-N 2.97Å; A771-Q775 VanDerWaalsContact O-N 3.15Å; S772-Q775 CarbonylContact O-C 3.54Å; S772-Q775 PolarHBondContact O-N 2.8Å; L773-Q775 PolarHBondContact O-N 3.2Å
776Q40.8Very low46Very low137 Ų137116.7 Ų116.764%0.6463%0.632SS**Hα-helixtrans-91.6-12.1173.5-73.6-161.6-1.300114.1S772 L773 E778 K779S772-Q776 VanDerWaalsContact O-CB 3.32Å; S772-Q776 WeakPolarHBondContact O-CB 3.49Å; S772-Q776 WeakPolarHBondContact O-CG 3.43Å; S772-Q776 PolarHBondContact O-N 3.31Å; L773-Q776 PolarHBondContact O-N 2.85Å; Q776-E778 PolarHBondContact O-N 3.39Å; Q776-K779 PolarHBondContact O-N 3.24Å
777T37.1Very low45.8Very low107 Ų107116.8 Ų116.866%0.65663%0.634SS**THydrogen-bonded Turntrans-63.3-11.3-179.1-64.70000113.9L773L773-T777 WeakPolarHBondContact O-CB 3.4Å; L773-T777 PolarHBondContact O-N 2.9Å; L773-T777 PolarHBondContact O-OG1 3.2Å
778E42.3Very low45.7Very low192 Ų192114.8 Ų114.890%0.89763%0.627SS**THydrogen-bonded Turntrans-91.90.8171.8-130.3179.7-163.400115.1Q776Q776-E778 PolarHBondContact O-N 3.39Å
779K41.5Very low45.8Very low183 Ų183117.2 Ų117.280%0.79664%0.635SS**SBendtrans-132.171.1172.8-71.5-167.2178.4-178.40112.5Q776 P781Q776-K779 PolarHBondContact O-N 3.24Å; K779-P781 WeakPolarHBondContact O-CD 3.3Å
780S32.7Very low45.7Very low113 Ų113117.3 Ų117.379%0.7964%0.637SS**  trans-44.1121.1175.3156.10000115.5
781P39.6Very low45.8Very low98 Ų98119.6 Ų119.664%0.63665%0.645SS**  trans-118.4110.2154.316.77.6000110.9K779 V783K779-P781 WeakPolarHBondContact O-CD 3.3Å; P781-V783 PolarHBondContact O-N 3.43Å; P781-V783 VanDerWaalsContact O-N 3.08Å
782E39Very low46.2Very low155 Ų155123.6 Ų123.672%0.72465%0.653SS**  trans60.423.8140.2-152.7141.8-146.400122.1K784 S785E782-K784 PolarHBondContact O-N 3.49Å; E782-K784 VanDerWaalsContact O-N 3.13Å; E782-S785 PolarHBondContact O-OG 3.44Å
783V46.5Very low46.6Very low117 Ų117129.1 Ų129.171%0.70967%0.669SS**Hα-helixtrans-75.55.1170.3-165.40000113.5P781P781-V783 PolarHBondContact O-N 3.43Å; P781-V783 VanDerWaalsContact O-N 3.08Å
784K48.5Very low46.8Very low187 Ų187133.2 Ų133.281%0.81368%0.682SS**Hα-helixtrans-88.6-22.1-178-72.5-177.9179.9173.20114.4E782 Q788E782-K784 PolarHBondContact O-N 3.49Å; E782-K784 VanDerWaalsContact O-N 3.13Å; K784-Q788 WeakPolarHBondContact O-CB 3.36Å
785S52Low46.7Very low55 Ų55138.7 Ų138.739%0.38569%0.692SS.*Hα-helixtrans-74.3-50.2178.947.80000111.3E782 L787 Q788 E789E782-S785 PolarHBondContact O-OG 3.44Å; S785-L787 PolarHBondContact O-N 2.85Å; S785-Q788 CarbonylContact O-C 3.55Å; S785-Q788 WeakPolarHBondContact O-CA 3.16Å; S785-Q788 WeakPolarHBondContact O-CB 3.3Å; S785-Q788 PolarHBondContact O-N 2.99Å; S785-E789 PolarHBondContact O-N 3.34Å
786E47.3Very low46.3Very low137 Ų137136 Ų13664%0.6469%0.686SS**Hα-helixtrans-65.1-39.2-173.4-154.8171.6-152.900113Q788 E789 L790E786-Q788 VanDerWaalsContact C-N 3.34Å; E786-E789 PolarHBondContact O-N 3.15Å; E786-L790 PolarHBondContact O-N 3.14Å
787L51.2Low46.3Very low122 Ų122138.6 Ų138.664%0.63970%0.696SS**Hα-helixtrans-69.4-31.7173-158.977.7000112.3S785 C791S785-L787 PolarHBondContact O-N 2.85Å; L787-C791 WeakPolarHBondContact O-CB 3.43Å; L787-C791 PolarHBondContact O-N 2.88Å; L787-C791 VanDerWaalsContact O-N 3.07Å; L787-C791 PolarHBondContact O-SG 2.77Å
788Q53.1Low46.2Very low115 Ų115143.9 Ų143.954%0.53771%0.71SS.*Hα-helixtrans-74.6-33.7176.9-167.2177.655.600111.9K784 S785 E786 K792K784-Q788 WeakPolarHBondContact O-CB 3.36Å; S785-Q788 CarbonylContact O-C 3.55Å; S785-Q788 WeakPolarHBondContact O-CA 3.16Å; S785-Q788 WeakPolarHBondContact O-CB 3.3Å; S785-Q788 PolarHBondContact O-N 2.99Å; E786-Q788 VanDerWaalsContact C-N 3.34Å; Q788-K792 WeakPolarHBondContact O-CG 3.25Å; Q788-K792 PolarHBondContact O-N 3.06Å; Q788-K792 VanDerWaalsContact O-N 3.09Å
789E56.2Low45.9Very low144 Ų144138.1 Ų138.167%0.67370%0.703SS**Hα-helixtrans-66.7-45.3170.4-70.6-148.5144.700111.8S785 E786 C791 K792 K793S785-E789 PolarHBondContact O-N 3.34Å; E786-E789 PolarHBondContact O-N 3.15Å; E789-C791 VanDerWaalsContact C-N 3.3Å; E789-C791 PolarHBondContact O-N 2.96Å; E789-K792 PolarHBondContact O-N 3.45Å; E789-K792 VanDerWaalsContact O-N 3.11Å; E789-K793 VanDerWaalsContact O-CB 3.29Å; E789-K793 WeakPolarHBondContact O-CB 3.41Å; E789-K793 PolarHBondContact O-N 3.05Å
790L51.2Low45.7Very low110 Ų110138 Ų13858%0.57671%0.705SS**Hα-helixtrans-61.7-36.1176.6-81164000112.9E786 K793E786-L790 PolarHBondContact O-N 3.14Å; L790-K793 PolarHBondContact O-N 3.27Å
791C51.3Low45.9Very low89 Ų89139.7 Ų139.760%0.60171%0.705SS**Hα-helixtrans-68.6-35.2172.8-74.50000113.2L787 E789L787-C791 WeakPolarHBondContact O-CB 3.43Å; L787-C791 PolarHBondContact O-N 2.88Å; L787-C791 VanDerWaalsContact O-N 3.07Å; L787-C791 PolarHBondContact O-SG 2.77Å; E789-C791 VanDerWaalsContact C-N 3.3Å; E789-C791 PolarHBondContact O-N 2.96Å
792K56.6Low45.7Very low137 Ų137141.5 Ų141.560%0.59671%0.709SS**Hα-helixtrans-73.3-35.1173.9-73.7171.2179.21720112.3Q788 E789 K794 Q795Q788-K792 WeakPolarHBondContact O-CG 3.25Å; Q788-K792 PolarHBondContact O-N 3.06Å; Q788-K792 VanDerWaalsContact O-N 3.09Å; E789-K792 PolarHBondContact O-N 3.45Å; E789-K792 VanDerWaalsContact O-N 3.11Å; K792-K794 PolarHBondContact O-N 3.3Å; K792-Q795 PolarHBondContact O-N 2.88Å; K792-Q795 VanDerWaalsContact O-N 3.14Å
793K54.4Low45.5Very low174 Ų174141.4 Ų141.476%0.75771%0.713SS**Hα-helixtrans-71.4-10.8-176.2-159.1166-174.6171.80114.3E789 L790E789-K793 VanDerWaalsContact O-CB 3.29Å; E789-K793 WeakPolarHBondContact O-CB 3.41Å; E789-K793 PolarHBondContact O-N 3.05Å; L790-K793 PolarHBondContact O-N 3.27Å
794K51.9Low44.9Very low196 Ų196144.4 Ų144.485%0.85272%0.719SS**THydrogen-bonded Turntrans-96.40.1170.6-79.3-161.3173.7-173.60115.3K792 V796K792-K794 PolarHBondContact O-N 3.3Å; K794-V796 PolarHBondContact O-N 2.88Å
795Q42.2Very low44.1Very low175 Ų175144.8 Ų144.882%0.81872%0.721SS**  trans-97.873.8169.7-74.9-168.4-12.500111.5K792K792-Q795 PolarHBondContact O-N 2.88Å; K792-Q795 VanDerWaalsContact O-N 3.14Å
796V36.6Very low43.5Very low112 Ų112146.9 Ų146.968%0.67973%0.733SS**  trans-131.1102.9169.2-1760000110.7K794K794-V796 PolarHBondContact O-N 2.88Å
797K40.6Very low42.9Very low192 Ų192147.7 Ų147.784%0.83574%0.742SS**  trans39.2103.7153.3-60.8-174.7176.2-173.50118.3
798F35.5Very low42.3Very low218 Ų218147.8 Ų147.896%0.95675%0.753SS**  -111.5139.8128.4-94-89.3000108.7
799G37Very low41.3Very low72 Ų72147.4 Ų147.474%0.74276%0.763SS**  trans-80.3153.9-167.200000114.7
800E35.4Very low40.2Very low180 Ų180146.4 Ų146.484%0.84177%0.769SS**  trans-12.3130.1159.4-63.9160156.500117.2
801N38.4Very low39.5Very low148 Ų148150.6 Ų150.679%0.79178%0.782SS**  -165.1101.9123.2-98.8-45.6000112.4
802N35.1Very low38.4Very low137 Ų137151.3 Ų151.373%0.73379%0.788SS**  trans59.5139.4142.4-67.8-62.8000123.4
803L34.4Very low37.3Very low152 Ų152150.4 Ų150.480%0.79680%0.795SS**  trans90.4107.6156.1-64.9141.1000120.2
804Q34.9Very low36.1Very low180 Ų180148.8 Ų148.884%0.84179%0.794SS**  trans68.187.1147.3-79.1161.5-45.200121.3
805K31.9Very low35.2Very low196 Ų196146.1 Ų146.185%0.85279%0.788SS**  trans-51164.7130.4-82.1-175.6178.3-178.90111.6
806P38.8Very low34.8Very low99 Ų99142.4 Ų142.464%0.64378%0.778SS**  cis-148.4-176.532.646.8-27.1000118.8
807D34.3Very low34.5Very low153 Ų153145 Ų14582%0.81879%0.788SS**  trans60.586.4149.7-54.8-25.1000121.6
808S39.1Very low34.2Very low124 Ų124143.7 Ų143.787%0.86778%0.782SS**  -145140124.251.10000111.1
809S31.3Very low33.9Very low107 Ų107137.7 Ų137.775%0.74877%0.767SS**  trans-82.1150.6-169.852.50000112.9K811S809-K811 PolarHBondContact O-N 2.63Å
810P34.3Very low33.5Very low124 Ų124141 Ų14181%0.80577%0.773SS**  trans-74.6103.4-178.130.1-33.8000110.2S812P810-S812 PolarHBondContact O-N 3.04Å
811K35.1Very low33.3Very low198 Ų198137.5 Ų137.586%0.86176%0.764SS**  trans-71.495.8166.3-120.4172.8-175.6171.60108.5S809 T813S809-K811 PolarHBondContact O-N 2.63Å; K811-T813 VanDerWaalsContact C-N 3.28Å; K811-T813 PolarHBondContact O-N 3.3Å
812S30Very low32.8Very low104 Ų104134.7 Ų134.773%0.72776%0.756SS**  trans-66.487.1170.147.30000109.9P810 N814P810-S812 PolarHBondContact O-N 3.04Å; S812-N814 VanDerWaalsContact C-N 3.27Å; S812-N814 PolarHBondContact O-N 3.12Å
813T33.4Very low32.5Very low118 Ų118134.3 Ų134.372%0.72476%0.758SS**  trans-65.996.7159.140.70000107.4K811 L815K811-T813 VanDerWaalsContact C-N 3.28Å; K811-T813 PolarHBondContact O-N 3.3Å; T813-L815 PolarHBondContact O-N 3.47Å
814N29.1Very low32.2Very low140 Ų140132 Ų13275%0.74975%0.75SS**  trans-48.198.4149.5-87.1-70.8000106.9S812 T816S812-N814 VanDerWaalsContact C-N 3.27Å; S812-N814 PolarHBondContact O-N 3.12Å; N814-T816 HydrophobicContact CB-CG2 4.45Å; N814-T816 PolarHBondContact O-N 3.33Å
815L32.3Very low32Very low139 Ų139130.7 Ų130.773%0.72875%0.748SS**  trans-72.279.9156-72.7178.7000105.5T813T813-L815 PolarHBondContact O-N 3.47Å
816T34.1Very low31.9Very low97 Ų97128.9 Ų128.960%0.59574%0.743SS**  trans-40.1148.316540.40000110N814 K818N814-T816 HydrophobicContact CB-CG2 4.45Å; N814-T816 PolarHBondContact O-N 3.33Å; T816-K818 VanDerWaalsContact C-N 3.28Å; T816-K818 PolarHBondContact O-N 2.86Å
817N29.4Very low31.5Very low167 Ų167131.6 Ų131.689%0.89375%0.752SS**  trans-46.492.2172-61.3-38.7000110.3S819N817-S819 PolarHBondContact O-N 2.96Å
818K35.1Very low31.4Very low165 Ų165131.6 Ų131.672%0.71775%0.751SS**  trans-77.381.7169.3-69.4-168.5-177.1-177.30105.7T816 V820T816-K818 VanDerWaalsContact C-N 3.28Å; T816-K818 PolarHBondContact O-N 2.86Å; K818-V820 PolarHBondContact O-N 3.07Å
819S29.8Very low30.8Very low91 Ų91136.1 Ų136.164%0.63675%0.749SS**  trans-28.3112.3156.7167.40000108.3N817 T821N817-S819 PolarHBondContact O-N 2.96Å; S819-T821 PolarHBondContact O-N 3.49Å
820V28.7Very low31Very low143 Ų143136.7 Ų136.787%0.86775%0.751SS**  trans-69.287.5162.91790000104.4K818 S822K818-V820 PolarHBondContact O-N 3.07Å; V820-S822 PolarHBondContact O-N 3.23Å
821T30.3Very low30.9Very low105 Ų105137 Ų13764%0.64475%0.745SS**  trans-52.2115.6176.2-55.60000106.8S819 V823S819-T821 PolarHBondContact O-N 3.49Å; T821-V823 PolarHBondContact O-N 3.13Å
822S28.5Very low30.7Very low90 Ų90136.2 Ų136.263%0.62974%0.744SS**  trans-51.5114.4174.350.90000107.9V820 T824V820-S822 PolarHBondContact O-N 3.23Å; S822-T824 PolarHBondContact O-N 2.98Å; S822-T824 PolarHBondContact O-OG1 3.06Å
823V27.8Very low31Very low129 Ų129137.7 Ų137.778%0.78275%0.749SS**  trans-71.883.5170.3-179.90000106.2T821 L825T821-V823 PolarHBondContact O-N 3.13Å; V823-L825 HydrophobicContact CG1-CD2 4.49Å; V823-L825 PolarHBondContact O-N 3.28Å
824T29Very low30.8Very low103 Ų103137.4 Ų137.463%0.63274%0.743SS**  trans-61.3106.9166.7-31.50000105.6S822 Q826S822-T824 PolarHBondContact O-N 2.98Å; S822-T824 PolarHBondContact O-OG1 3.06Å; T824-Q826 PolarHBondContact O-N 3.34Å
825L29.6Very low31Very low152 Ų152137 Ų13780%0.79675%0.748SS**  trans-65.687.2166.9-72.8176.9000107.1V823 N827V823-L825 HydrophobicContact CG1-CD2 4.49Å; V823-L825 PolarHBondContact O-N 3.28Å; L825-N827 PolarHBondContact O-N 3.18Å
826Q31.2Very low31.2Very low158 Ų158140.8 Ų140.874%0.73875%0.752SS**  trans-59.9109.4166.9-66.9-174.75.300106.3T824 L828T824-Q826 PolarHBondContact O-N 3.34Å; Q826-L828 PolarHBondContact O-N 3.08Å
827N29.5Very low31.2Very low156 Ų156146.5 Ų146.583%0.83476%0.763SS**  trans-63.486.6164.2-87.7-22.9000107.4L825 R829L825-N827 PolarHBondContact O-N 3.18Å; N827-R829 PolarHBondContact O-N 2.64Å; N827-R829 VanDerWaalsContact O-N 3.14Å
828L32Very low31.4Very low153 Ų153143.8 Ų143.880%0.80176%0.755SS**  trans-51.4121.2164.4-76.4167.2000106.7Q826 P830Q826-L828 PolarHBondContact O-N 3.08Å; L828-P830 VanDerWaalsContact O-CD 3.3Å; L828-P830 WeakPolarHBondContact O-CD 3.39Å
829R27.4Very low31.2Very low219 Ų219143.5 Ų143.583%0.82676%0.756SS**  trans-106.395.7-177.4-178.3-173.5-170.6171.33107.9N827N827-R829 PolarHBondContact O-N 2.64Å; N827-R829 VanDerWaalsContact O-N 3.14Å
830P35.4Very low31.3Very low120 Ų120144.3 Ų144.378%0.77976%0.761SS**  trans-75.6138.5168.8-9.428.1000109L828L828-P830 VanDerWaalsContact O-CD 3.3Å; L828-P830 WeakPolarHBondContact O-CD 3.39Å
831N31.3Very low31.4Very low130 Ų130142.3 Ų142.370%0.69575%0.753SS**  trans-76.7154-170.1-67.7-63.4000114.1
832H31.8Very low31.7Very low181 Ų181144 Ų14484%0.83876%0.763SS**  trans4.8112.2151.9-71.8-94.9000118.9
833V34.4Very low31.7Very low135 Ų135146 Ų14682%0.81877%0.767SS**  trans-148.9123.9138.2-168.40000111.6
834N30.4Very low32Very low113 Ų113147.1 Ų147.160%0.60477%0.768SS**  trans50115.1163.5-91.6-61.9000122.4
835P32.5Very low32.2Very low130 Ų130149.4 Ų149.484%0.84477%0.771SS**  trans-92.1113.5146.433.5-24.6000110.7
836R36Very low32.1Very low220 Ų220153.3 Ų153.383%0.8378%0.775SS**  trans-121.7116168.9-79.9-172176.5178.4-2.8112
837R34.6Very low32.2Very low216 Ų216154 Ų15482%0.81578%0.782SS**  trans-78.9164177.4-140.4-177.6-170.8157.61.6110.9
838P34.7Very low32.3Very low111 Ų111153.8 Ų153.872%0.72177%0.773SS**  -125.2138112.15.415.5000111.4
839H30.6Very low32.1Very low159 Ų159155.9 Ų155.974%0.73678%0.779SS**  59.3128.675.1-59-69000112.3
840S31.2Very low32.2Very low108 Ų108152.7 Ų152.776%0.75577%0.774SS**  cis-156.9159.43.552.40000113.4
841S31.3Very low31.8Very low100 Ų100152.3 Ų152.370%0.69977%0.774SS**  trans-49.7152.6161.648.30000115.9
842V36.2Very low31.7Very low140 Ų140152.8 Ų152.885%0.84878%0.781SS**  -147143.3125.3-175.70000109.7
843N28Very low31.6Very low133 Ų133153 Ų15371%0.71178%0.783SS**  trans-68.5171.5177.8-53.3-70.3000113.8
844L35.5Very low31.2Very low152 Ų152153.4 Ų153.480%0.79679%0.786SS**  -166.4109.4114.6-81-167000111.5
845H33.5Very low31.1Very low151 Ų151151.6 Ų151.670%0.69979%0.793SS**  trans50.3104.2139.9-55.691000122.8
846R26.6Very low30.9Very low235 Ų235152.6 Ų152.689%0.88780%0.796SS**  28.5105.2113.1-166.7-172.8-136.7-157.45.7116.9
847I33.7Very low30.7Very low171 Ų171150 Ų15088%0.87780%0.797SS**  trans-117.1135.3148.2-63-178.8000107.8
848K31.3Very low30.3Very low152 Ų152147.4 Ų147.466%0.66180%0.795SS**  trans-57.2144.3-169-84.5175154.5-165.80114.2E850K848-E850 WeakPolarHBondContact CD-OE1 3.32Å; K848-E850 WeakPolarHBondContact CE-OE1 3.38Å; K848-E850 IonicContact NZ-OE1 2.65Å; K848-E850 PolarHBondContact NZ-OE1 2.9Å
849Q28.3Very low30.3Very low198 Ų198147.4 Ų147.493%0.92580%0.795SS**  trans-68135.1140-69.8169.7-81.500108
850E28.9Very low30.3Very low152 Ų152144.9 Ų144.971%0.7180%0.801SS**  trans-135.2147162-141.4146.8-118.100108.2K848K848-E850 WeakPolarHBondContact CD-OE1 3.32Å; K848-E850 WeakPolarHBondContact CE-OE1 3.38Å; K848-E850 IonicContact NZ-OE1 2.65Å; K848-E850 PolarHBondContact NZ-OE1 2.9Å
851S27.2Very low30.3Very low112 Ų112146.8 Ų146.878%0.78380%0.802SS**  trans-95.4169.6-151.747.70000114.8Q853S851-Q853 PolarHBondContact O-N 3.15Å
852V28.2Very low30.5Very low139 Ų139151.3 Ų151.384%0.84281%0.809SS**  trans-36.5127.2168.3-179.10000112.9
853Q30.7Very low30.3Very low187 Ų187149 Ų14987%0.87480%0.795SS**  trans-150.9136.4144.4-124.8172.924.400112.6S851S851-Q853 PolarHBondContact O-N 3.15Å
854T26.9Very low30.4Very low143 Ų143147.7 Ų147.788%0.87780%0.796SS**  trans-63.3137.3175.116.10000111.8
855G28.2Very low30.3Very low74 Ų74149.5 Ų149.576%0.76380%0.801SS**  trans-175.995.2177.900000113.2I857G855-I857 PolarHBondContact O-N 3.13Å
856V27.6Very low30Very low151 Ų151145.5 Ų145.592%0.91580%0.8SS**  trans-83.798.9-177.8177.50000110.9
857I31.1Very low30.4Very low166 Ų166141.7 Ų141.785%0.85180%0.803SS**  trans-143.9115.1160.9-54.4-177.8000111G855G855-I857 PolarHBondContact O-N 3.13Å
858Q27.5Very low30.2Very low162 Ų162139.9 Ų139.976%0.75779%0.794SS**  trans-94.6172.6157.1-87.8-1711600109.2
859P34.4Very low30.3Very low111 Ų111140 Ų14072%0.72180%0.801SS**  cis-135.2167-32.636.1-20.4000113
860A29.8Very low30.6Very low106 Ų106136.4 Ų136.488%0.87679%0.792SS**  trans-163.5133.7151.700000112.2
861I31.3Very low30.7Very low148 Ų148136.2 Ų136.276%0.75980%0.796SS**  trans-112.7137.5-175.8-60.3164.1000110.4
862K35.3Very low31Very low195 Ų195136 Ų13685%0.84880%0.795SS**  trans-175.698.5136.6-99.7153.8-171.8178.10114.6
863T33.1Very low31.1Very low91 Ų91135 Ų13556%0.55879%0.793SS**  14.8141.7129.654.80000119.1
864S30.5Very low31.2Very low105 Ų105134.2 Ų134.273%0.73479%0.794SS**  cis-172-176.446.553.20000110.1
865Q32.5Very low31.3Very low191 Ų191137 Ų13789%0.89380%0.795SS**  cis-147.3175.711.7-52.6175.821.200110.6
866G28Very low31.5Very low67 Ų67141.2 Ų141.269%0.69180%0.798SS**  trans138.4114.914700000118.7
867V33.7Very low31.6Very low155 Ų155137.5 Ų137.594%0.93978%0.783SS**  trans76.9140.2165.3-165.40000117.1
868N29.2Very low31.5Very low132 Ų132135.9 Ų135.971%0.70678%0.783SS**  trans-154.6123.4-152.7-174.83.3000111.8
869I33.6Very low31.8Very low154 Ų154134.2 Ų134.279%0.7978%0.784SS**  trans-142.6141168.9-59.8-176.3000108.5
870V34.8Very low31.6Very low123 Ų123138.8 Ų138.875%0.74579%0.792SS**  trans-103.8134.7-150.6177.90000114.8
871N30.8Very low31.4Very low149 Ų149136.7 Ų136.780%0.79778%0.781SS**  trans-91.6145.7164.6-76.4-35.1000111.3
872S33.6Very low31.4Very low108 Ų108136.1 Ų136.176%0.75578%0.784SS**  trans-107.3126173.747.50000111.3
873S31Very low31.3Very low116 Ų116134.6 Ų134.681%0.81178%0.78SS**  trans-105.4123.3-178.1-48.70000110.9
874L32.6Very low31.3Very low171 Ų171139.9 Ų139.990%0.89580%0.798SS**  trans-96119.1166.5-108.6156.6000109.2
875K29.5Very low31.8Very low203 Ų203139.6 Ų139.688%0.88380%0.797SS**  trans-71.9128.2175-70.5176.5175.2178.30109.7
876I31.5Very low32Very low161 Ų161139.2 Ų139.283%0.82680%0.8SS**  trans-125.1130.5155.5-58.1-179.5000106.8
877A30.3Very low32.6Very low73 Ų73138.1 Ų138.160%0.60379%0.79SS**  trans-72.6156.6-171.700000112.5V879A877-V879 VanDerWaalsContact C-N 3.33Å; A877-V879 PolarHBondContact O-N 3.3Å
878P28.8Very low33.9Very low133 Ų133135.3 Ų135.386%0.86477%0.769SS**  trans-74.485.5175.531.9-34.7000110.4K880P878-K880 PolarHBondContact O-N 3.25Å
879V34Very low35.6Very low126 Ų126136.7 Ų136.776%0.76477%0.771SS**  trans-71.4112.6168.5-179.70000108A877 G881A877-V879 VanDerWaalsContact C-N 3.33Å; A877-V879 PolarHBondContact O-N 3.3Å; V879-G881 PolarHBondContact O-N 3.11Å
880K29.1Very low37.3Very low207 Ų207133.4 Ų133.490%0.976%0.755SS**  trans-64.3122.3170.8-73.4179.9175.3179.40109.3P878P878-K880 PolarHBondContact O-N 3.25Å
881G26.2Very low39Very low62 Ų62131.5 Ų131.564%0.63974%0.744SS**  trans114.1159.1163.600000116.1V879V879-G881 PolarHBondContact O-N 3.11Å
882V32.2Very low41.2Very low136 Ų136134.8 Ų134.882%0.82475%0.745SS**  trans77.990171.9-1640000116.8
883Q32.3Very low43.4Very low164 Ų164131.9 Ų131.977%0.76672%0.721SS**  trans55.5105.1141.9-65.5178.7-7.700119.5S885Q883-S885 PolarHBondContact O-N 3.33Å
884Q33.7Very low45.7Very low201 Ų201129 Ų12994%0.93970%0.701SS**  trans-57.8118.3152.1-67.6167.9-25.400109.5
885S39.8Very low47.8Very low100 Ų100126.4 Ų126.470%0.69969%0.687SS**  trans-130138163.353.50000108.5Q883 G887Q883-S885 PolarHBondContact O-N 3.33Å; S885-G887 PolarHBondContact O-N 2.99Å
886N37.8Very low50Low182 Ų182122.9 Ų122.997%0.97368%0.678SS**  trans-78.252.7-171.2-65.6-33000112.3
887G41Very low52.2Low45 Ų45119.6 Ų119.646%0.46466%0.659SS.*  trans-91.9129.9175.800000111.5S885 E889S885-G887 PolarHBondContact O-N 2.99Å; G887-E889 PolarHBondContact O-N 2.91Å
888D61.3Low54.9Low96 Ų96119.6 Ų119.651%0.51365%0.645SS.*  trans-45.7127.91721801.8000110.4L890 T891D888-L890 PolarHBondContact O-N 3.49Å; D888-L890 VanDerWaalsContact O-N 3.09Å; D888-L890 PolarHBondContact OD1-N 3.48Å; D888-T891 WeakPolarHBondContact O-CA 3.43Å; D888-T891 WeakPolarHBondContact O-CB 3.36Å; D888-T891 PolarHBondContact O-N 2.97Å; D888-T891 PolarHBondContact O-OG1 3.04Å
889E64.2Low57.2Low160 Ų160121 Ų12175%0.74863%0.634SS**Hα-helixtrans-55.9-30.7-177.1-65.8-170.1163.900111.7G887 T891 R892G887-E889 PolarHBondContact O-N 2.91Å; E889-T891 PolarHBondContact O-N 3.27Å; E889-R892 PolarHBondContact O-N 3.27Å; E889-R892 VanDerWaalsContact O-N 3.15Å
890L69.4Low59.2Low86 Ų86118.5 Ų118.545%0.4562%0.621SS.*Hα-helixtrans-58.4-33.7172.8-62176.6000112D888 R892 L893 K898D888-L890 PolarHBondContact O-N 3.49Å; D888-L890 VanDerWaalsContact O-N 3.09Å; D888-L890 PolarHBondContact OD1-N 3.48Å; L890-R892 VanDerWaalsContact C-N 3.3Å; L890-R892 PolarHBondContact O-N 3.29Å; L890-L893 PolarHBondContact O-N 2.84Å; L890-K898 WeakPolarHBondContact O-CE 3.23Å; L890-K898 PolarHBondContact O-NZ 3.24Å; L890-K898 VanDerWaalsContact O-NZ 3.09Å
891T70.7Confident61.6Low82 Ų82111.8 Ų111.850%0.50360%0.595SS.*Hα-helixtrans-67.1-31.3179.7-490000112.2D888 E889 L893D888-T891 WeakPolarHBondContact O-CA 3.43Å; D888-T891 WeakPolarHBondContact O-CB 3.36Å; D888-T891 PolarHBondContact O-N 2.97Å; D888-T891 PolarHBondContact O-OG1 3.04Å; E889-T891 PolarHBondContact O-N 3.27Å; T891-L893 VanDerWaalsContact C-N 3.31Å; T891-L893 PolarHBondContact O-N 3.23Å
892R76.2Confident63.8Low219 Ų219115.7 Ų115.783%0.82660%0.595SS**Hα-helixtrans-75.1-19179.2-61.9-172.1671692.3113.7E889 L890E889-R892 PolarHBondContact O-N 3.27Å; E889-R892 VanDerWaalsContact O-N 3.15Å; L890-R892 VanDerWaalsContact C-N 3.3Å; L890-R892 PolarHBondContact O-N 3.29Å
893L79.4Confident65.7Low47 Ų47112 Ų11225%0.24657%0.574CS.*SBendtrans-81.7135.4-179-63.3176.9000111.8L890 T891 E897 K898 L901L890-L893 PolarHBondContact O-N 2.84Å; T891-L893 VanDerWaalsContact C-N 3.31Å; T891-L893 PolarHBondContact O-N 3.23Å; L893-E897 HydrophobicContact CB-CB 4.06Å; L893-E897 HydrophobicContact CD2-CB 4.16Å; L893-K898 HydrophobicContact CB-CG 4.07Å; L893-K898 WeakPolarHBondContact O-CE 3.3Å; L893-K898 PolarHBondContact O-NZ 3.45Å; L893-K898 VanDerWaalsContact O-NZ 3.13Å; L893-L901 HydrophobicContact CD1-CD1 3.42Å; L893-L901 VanDerWaalsContact CD1-CD1 3.42Å
894S79.9Confident67.4Low55 Ų55108.8 Ų108.839%0.38556%0.56SS.*  trans-59.8158.7170.2690000111.5N896 E897 K898S894-N896 PolarHBondContact O-N 3.42Å; S894-N896 VanDerWaalsContact O-N 3.14Å; S894-E897 WeakPolarHBondContact CB-OE2 3.43Å; S894-E897 PolarHBondContact N-OE2 3.19Å; S894-E897 PolarHBondContact O-N 2.86Å; S894-E897 VanDerWaalsContact O-N 3.12Å; S894-E897 VanDerWaalsContact OG-CD 3.31Å; S894-E897 WeakPolarHBondContact OG-CG 3.39Å; S894-E897 PolarHBondContact OG-N 3.31Å; S894-E897 PolarHBondContact OG-OE2 3Å; S894-K898 WeakPolarHBondContact O-CG 3.35Å; S894-K898 PolarHBondContact O-N 3.46Å
895L77.2Confident68.7Low117 Ų117107.8 Ų107.861%0.61355%0.547SS*.Hα-helixtrans-59.7-27.5177.8-164.5145.7000112.2R899L895-R899 HydrophobicContact CD2-CG 4.46Å; L895-R899 WeakPolarHBondContact O-CG 3.42Å; L895-R899 PolarHBondContact O-N 2.91Å; L895-R899 VanDerWaalsContact O-N 3.13Å
896N75.5Confident69.5Low128 Ų128109.4 Ų109.468%0.68454%0.542SS*.Hα-helixtrans-75.6-40.3176.5-153.933.9000112.2S894 R899 S900S894-N896 PolarHBondContact O-N 3.42Å; S894-N896 VanDerWaalsContact O-N 3.14Å; N896-R899 PolarHBondContact O-N 2.97Å; N896-S900 WeakPolarHBondContact O-CB 3.47Å; N896-S900 PolarHBondContact O-N 2.8Å
897E77.1Confident70.4Confident93 Ų93106.3 Ų106.344%0.43552%0.522SS..Hα-helixtrans-66-41.2173.9-71.7159.8129.900111.7L893 S894 R899 S900 L901L893-E897 HydrophobicContact CB-CB 4.06Å; L893-E897 HydrophobicContact CD2-CB 4.16Å; S894-E897 WeakPolarHBondContact CB-OE2 3.43Å; S894-E897 PolarHBondContact N-OE2 3.19Å; S894-E897 PolarHBondContact O-N 2.86Å; S894-E897 VanDerWaalsContact O-N 3.12Å; S894-E897 VanDerWaalsContact OG-CD 3.31Å; S894-E897 WeakPolarHBondContact OG-CG 3.39Å; S894-E897 PolarHBondContact OG-N 3.31Å; S894-E897 PolarHBondContact OG-OE2 3Å; E897-R899 VanDerWaalsContact C-N 3.34Å; E897-R899 PolarHBondContact O-N 2.84Å; E897-S900 WeakPolarHBondContact O-CB 3.26Å; E897-S900 PolarHBondContact O-N 3.19Å; E897-S900 VanDerWaalsContact O-N 3.13Å; E897-L901 PolarHBondContact O-N 3.04Å
898K87.2Confident71.1Confident72 Ų72110.1 Ų110.131%0.31353%0.527SS..Hα-helixtrans-56.2-46.8171.9-72.8169.2174.8159.70111.8L890 L893 S894 F902L890-K898 WeakPolarHBondContact O-CE 3.23Å; L890-K898 PolarHBondContact O-NZ 3.24Å; L890-K898 VanDerWaalsContact O-NZ 3.09Å; L893-K898 HydrophobicContact CB-CG 4.07Å; L893-K898 WeakPolarHBondContact O-CE 3.3Å; L893-K898 PolarHBondContact O-NZ 3.45Å; L893-K898 VanDerWaalsContact O-NZ 3.13Å; S894-K898 WeakPolarHBondContact O-CG 3.35Å; S894-K898 PolarHBondContact O-N 3.46Å; K898-F902 WeakPolarHBondContact O-CB 3.44Å; K898-F902 PolarHBondContact O-N 3.03Å
899R77.2Confident70.5Confident164 Ų164107.8 Ų107.862%0.61953%0.526SS*.Hα-helixtrans-63.9-38.1174.7-80.1-179.8170.3176.2-1.1112.6L895 N896 E897 S903L895-R899 HydrophobicContact CD2-CG 4.46Å; L895-R899 WeakPolarHBondContact O-CG 3.42Å; L895-R899 PolarHBondContact O-N 2.91Å; L895-R899 VanDerWaalsContact O-N 3.13Å; N896-R899 PolarHBondContact O-N 2.97Å; E897-R899 VanDerWaalsContact C-N 3.34Å; E897-R899 PolarHBondContact O-N 2.84Å; R899-S903 VanDerWaalsContact O-CB 3.32Å; R899-S903 WeakPolarHBondContact O-CB 3.41Å; R899-S903 PolarHBondContact O-N 2.86Å; R899-S903 PolarHBondContact O-OG 3.13Å
900S76.1Confident69.8Low73 Ų73106.6 Ų106.651%0.5152%0.521SS..Hα-helixtrans-62.7-51.7176.4-168.10000111.2N896 E897 F902 S903 Q904N896-S900 WeakPolarHBondContact O-CB 3.47Å; N896-S900 PolarHBondContact O-N 2.8Å; E897-S900 WeakPolarHBondContact O-CB 3.26Å; E897-S900 PolarHBondContact O-N 3.19Å; E897-S900 VanDerWaalsContact O-N 3.13Å; S900-F902 VanDerWaalsContact C-N 3.34Å; S900-F902 PolarHBondContact O-N 2.96Å; S900-S903 PolarHBondContact O-N 2.87Å; S900-Q904 VanDerWaalsContact O-CB 3.32Å; S900-Q904 WeakPolarHBondContact O-CB 3.39Å; S900-Q904 PolarHBondContact O-N 3.46Å
901L78.9Confident68.7Low66 Ų66108.8 Ų108.835%0.34653%0.528SS..Hα-helixtrans-59.4-41.5177.3-71.6177.2000112.8L893 E897 Q904 R905L893-L901 HydrophobicContact CD1-CD1 3.42Å; L893-L901 VanDerWaalsContact CD1-CD1 3.42Å; E897-L901 PolarHBondContact O-N 3.04Å; L901-Q904 PolarHBondContact O-N 3.1Å; L901-R905 WeakPolarHBondContact O-CG 3.49Å; L901-R905 PolarHBondContact O-N 3.42Å
902F73.8Confident67.4Low144 Ų144109.9 Ų109.963%0.63254%0.539SS*.Hα-helixtrans-63.3-45.8176.2-172.3-94.9000111.5K898 S900 Q904 R905 F906K898-F902 WeakPolarHBondContact O-CB 3.44Å; K898-F902 PolarHBondContact O-N 3.03Å; S900-F902 VanDerWaalsContact C-N 3.34Å; S900-F902 PolarHBondContact O-N 2.96Å; F902-Q904 VanDerWaalsContact C-N 3.32Å; F902-Q904 PolarHBondContact O-N 2.98Å; F902-R905 PolarHBondContact O-N 2.92Å; F902-F906 HydrophobicContact CE1-CD2 4.19Å; F902-F906 HydrophobicContact CZ-CD2 4.26Å; F902-F906 HydrophobicContact CZ-CE2 4.38Å; F902-F906 PolarHBondContact O-N 3.08Å; F902-F906 VanDerWaalsContact O-N 3.14Å
903S71.9Confident65.7Low57 Ų57106.3 Ų106.340%0.39954%0.536SS..Hα-helixtrans-65.4-34.4177.7-55.30000112.5R899 S900 Q907R899-S903 VanDerWaalsContact O-CB 3.32Å; R899-S903 WeakPolarHBondContact O-CB 3.41Å; R899-S903 PolarHBondContact O-N 2.86Å; R899-S903 PolarHBondContact O-OG 3.13Å; S900-S903 PolarHBondContact O-N 2.87Å; S903-Q907 WeakPolarHBondContact O-CG 3.46Å; S903-Q907 PolarHBondContact O-N 2.8Å; S903-Q907 PolarHBondContact O-NE2 3.37Å; S903-Q907 VanDerWaalsContact O-NE2 3.13Å
904Q67.2Low63.7Low97 Ų97108.3 Ų108.345%0.45355%0.55SS..Hα-helixtrans-71.5-45.5178.6-165.9174.628.700111.3S900 L901 F902 F906 Q907 Q908S900-Q904 VanDerWaalsContact O-CB 3.32Å; S900-Q904 WeakPolarHBondContact O-CB 3.39Å; S900-Q904 PolarHBondContact O-N 3.46Å; L901-Q904 PolarHBondContact O-N 3.1Å; F902-Q904 VanDerWaalsContact C-N 3.32Å; F902-Q904 PolarHBondContact O-N 2.98Å; Q904-F906 VanDerWaalsContact C-N 3.31Å; Q904-F906 PolarHBondContact O-N 2.92Å; Q904-Q907 PolarHBondContact O-N 2.73Å; Q904-Q908 VanDerWaalsContact O-CB 3.31Å; Q904-Q908 WeakPolarHBondContact O-CB 3.5Å; Q904-Q908 PolarHBondContact O-N 3.13Å
905R61.4Low61.5Low180 Ų180113.2 Ų113.268%0.67957%0.572SS**Hα-helixtrans-60.7-39.2174.1-70.5-169.4-155.7-167.47.8112.3L901 F902 Q907 Q908 G909L901-R905 WeakPolarHBondContact O-CG 3.49Å; L901-R905 PolarHBondContact O-N 3.42Å; F902-R905 PolarHBondContact O-N 2.92Å; R905-Q907 VanDerWaalsContact C-N 3.32Å; R905-Q907 PolarHBondContact O-N 2.8Å; R905-Q908 PolarHBondContact O-N 3.13Å; R905-G909 PolarHBondContact O-N 3.01Å
906F57.1Low59.7Low135 Ų135115.6 Ų115.659%0.59258%0.577SS**Hα-helixtrans-64.5-36.5178.4-130.8-87000112.3F902 Q904F902-F906 HydrophobicContact CE1-CD2 4.19Å; F902-F906 HydrophobicContact CZ-CD2 4.26Å; F902-F906 HydrophobicContact CZ-CE2 4.38Å; F902-F906 PolarHBondContact O-N 3.08Å; F902-F906 VanDerWaalsContact O-N 3.14Å; Q904-F906 VanDerWaalsContact C-N 3.31Å; Q904-F906 PolarHBondContact O-N 2.92Å
907Q55.6Low57.6Low117 Ų117115.9 Ų115.955%0.54759%0.586SS.*Hα-helixtrans-76.1-41.1174.9-72.2174.275.700112.4S903 Q904 R905 G909 Q910 Q911S903-Q907 WeakPolarHBondContact O-CG 3.46Å; S903-Q907 PolarHBondContact O-N 2.8Å; S903-Q907 PolarHBondContact O-NE2 3.37Å; S903-Q907 VanDerWaalsContact O-NE2 3.13Å; Q904-Q907 PolarHBondContact O-N 2.73Å; R905-Q907 VanDerWaalsContact C-N 3.32Å; R905-Q907 PolarHBondContact O-N 2.8Å; Q907-G909 VanDerWaalsContact C-N 3.31Å; Q907-G909 PolarHBondContact O-N 3.09Å; Q907-Q910 PolarHBondContact O-N 3.09Å; Q907-Q910 VanDerWaalsContact O-N 3.07Å; Q907-Q911 WeakPolarHBondContact O-CG 3.48Å; Q907-Q911 PolarHBondContact O-N 2.89Å
908Q56.3Low55.6Low125 Ų125120.1 Ų120.158%0.58460%0.604SS**Hα-helixtrans-66.3-34178.9-155.4172.530.500111.8Q904 R905 Q910 Q911 S912Q904-Q908 VanDerWaalsContact O-CB 3.31Å; Q904-Q908 WeakPolarHBondContact O-CB 3.5Å; Q904-Q908 PolarHBondContact O-N 3.13Å; R905-Q908 PolarHBondContact O-N 3.13Å; Q908-Q910 VanDerWaalsContact C-N 3.28Å; Q908-Q910 PolarHBondContact O-N 3.33Å; Q908-Q911 PolarHBondContact O-N 2.77Å; Q908-S912 WeakPolarHBondContact O-CB 3.39Å; Q908-S912 PolarHBondContact O-N 3.28Å
909G48.3Very low52.9Low47 Ų47121 Ų12149%0.48562%0.619SS.*Hα-helixtrans-65.7-25171.300000114.4R905 Q907R905-G909 PolarHBondContact O-N 3.01Å; Q907-G909 VanDerWaalsContact C-N 3.31Å; Q907-G909 PolarHBondContact O-N 3.09Å
910Q49.3Very low50.9Low135 Ų135120.1 Ų120.163%0.63163%0.631SS**Hα-helixtrans-85-38.7170.7-67.1-158.9-2.700112.2Q907 Q908 S912 L913Q907-Q910 PolarHBondContact O-N 3.09Å; Q907-Q910 VanDerWaalsContact O-N 3.07Å; Q908-Q910 VanDerWaalsContact C-N 3.28Å; Q908-Q910 PolarHBondContact O-N 3.33Å; Q910-S912 VanDerWaalsContact C-N 3.34Å; Q910-S912 PolarHBondContact O-N 3.41Å; Q910-L913 PolarHBondContact O-N 3.15Å
911Q46Very low49.1Very low132 Ų132122.3 Ų122.362%0.61764%0.642SS**Hα-helixtrans-73.1-23.4179.4-66.8-178.815.500113.5Q907 Q908 L913 T914Q907-Q911 WeakPolarHBondContact O-CG 3.48Å; Q907-Q911 PolarHBondContact O-N 2.89Å; Q908-Q911 PolarHBondContact O-N 2.77Å; Q911-L913 PolarHBondContact O-N 3.09Å; Q911-L913 VanDerWaalsContact O-N 3.16Å; Q911-T914 WeakPolarHBondContact CA-OG1 3.31Å; Q911-T914 PolarHBondContact O-N 3.19Å; Q911-T914 PolarHBondContact O-OG1 3.31Å
912S43.8Very low47Very low104 Ų104125.1 Ų125.173%0.72766%0.662SS**THydrogen-bonded Turntrans-68.8-5.9171.1-171.80000113.8Q908 Q910Q908-S912 WeakPolarHBondContact O-CB 3.39Å; Q908-S912 PolarHBondContact O-N 3.28Å; Q910-S912 VanDerWaalsContact C-N 3.34Å; Q910-S912 PolarHBondContact O-N 3.41Å
913L41Very low45.1Very low144 Ų144126.1 Ų126.175%0.75467%0.668SS**THydrogen-bonded Turntrans-107.2-1174.8-75.7163.3000113Q910 Q911Q910-L913 PolarHBondContact O-N 3.15Å; Q911-L913 PolarHBondContact O-N 3.09Å; Q911-L913 VanDerWaalsContact O-N 3.16Å
914T36.5Very low43.3Very low89 Ų89128.8 Ų128.855%0.54668%0.684SS.*  trans-108.572.8-172.257.20000113.2Q911Q911-T914 WeakPolarHBondContact CA-OG1 3.31Å; Q911-T914 PolarHBondContact O-N 3.19Å; Q911-T914 PolarHBondContact O-OG1 3.31Å
915N35.2Very low42Very low159 Ų159133.3 Ų133.385%0.8570%0.703SS**SBendtrans-121.818.9159.8-92.4-26.6000112.5
916K39.2Very low40.8Very low166 Ų166135.6 Ų135.672%0.72271%0.711SS**SBendtrans-138.8133164.9-72.9-172.7175.8-179.40109.4F918K916-F918 PolarHBondContact O-N 2.83Å
917P31Very low40Very low135 Ų135135.9 Ų135.988%0.87772%0.724SS**  trans-72.3112.9176.629.4-32.7000109.4S919P917-S919 PolarHBondContact O-N 3.29Å
918F34.9Very low39.1Very low181 Ų181137 Ų13779%0.79473%0.732SS**  trans-81.4117.1171.7-89.7-84000110.1K916K916-F918 PolarHBondContact O-N 2.83Å
919S31.2Very low38.2Very low90 Ų90142.2 Ų142.263%0.62975%0.746SS**  trans-55.2133.4176-178.60000112P917 T921P917-S919 PolarHBondContact O-N 3.29Å; S919-T921 VanDerWaalsContact C-N 3.27Å; S919-T921 PolarHBondContact O-N 3.12Å; S919-T921 PolarHBondContact OG-OG1 3.24Å; S919-T921 VanDerWaalsContact OG-OG1 3.12Å
920V35.5Very low37.9Very low146 Ų146151 Ų15189%0.88577%0.765SS**THydrogen-bonded Turntrans-8165.6-177-171.60000110.8
921T37.1Very low37.7Very low119 Ų119154.4 Ų154.473%0.7378%0.778SS**THydrogen-bonded Turntrans-149.22.2-178.743.50000115.8S919S919-T921 VanDerWaalsContact C-N 3.27Å; S919-T921 PolarHBondContact O-N 3.12Å; S919-T921 PolarHBondContact OG-OG1 3.24Å; S919-T921 VanDerWaalsContact OG-OG1 3.12Å
922T34.2Very low38.3Very low125 Ų125154.3 Ų154.377%0.76779%0.786SS**SBendtrans-127127.6-172.3-23.60000112.6
923E35.5Very low38.9Very low165 Ų165157.2 Ų157.277%0.77179%0.788SS**  trans-18.1139.4172.6-79.3-72.1123.100116.9K925E923-K925 PolarHBondContact O-N 3.05Å
924P34.1Very low39.6Very low113 Ų113154.9 Ų154.973%0.73478%0.782SS**  trans-6297.1179.527.6-34.7000110.4R926P924-R926 PolarHBondContact O-N 3.04Å
925K39.1Very low41.3Very low192 Ų192156.8 Ų156.884%0.83579%0.787SS**  trans-57.1106.2-177.8-140.1171-169.4171.10108.2E923 V927E923-K925 PolarHBondContact O-N 3.05Å; K925-V927 PolarHBondContact O-N 3.21Å
926R36.1Very low43.1Very low229 Ų229152.3 Ų152.386%0.86477%0.766SS**  trans-41.9127.9178.4-72.7177.5173.9138.4-0.4108.6P924 I928P924-R926 PolarHBondContact O-N 3.04Å; R926-I928 PolarHBondContact O-N 3.13Å
927V40.2Very low44.8Very low140 Ų140151.4 Ų151.485%0.84877%0.768SS**  trans-66.287.4167.4179.50000106.3K925 R929K925-V927 PolarHBondContact O-N 3.21Å; V927-R929 VanDerWaalsContact C-N 3.34Å; V927-R929 PolarHBondContact O-N 2.9Å
928I35.9Very low47Very low142 Ų142150 Ų15073%0.72875%0.753SS**  trans-58.6106.2166.4-63.5171.6000103.8R926 R930R926-I928 PolarHBondContact O-N 3.13Å; I928-R930 VanDerWaalsContact C-N 3.29Å; I928-R930 PolarHBondContact O-N 2.71Å
929R38.7Very low49Very low234 Ų234145 Ų14588%0.88374%0.735SS**  trans-49.2103.9163.6-82.6178.6160.1-179.7-7.4105.3V927 K931V927-R929 VanDerWaalsContact C-N 3.34Å; V927-R929 PolarHBondContact O-N 2.9Å; R929-K931 PolarHBondContact O-N 2.87Å; R929-K931 VanDerWaalsContact O-N 3.09Å
930R42Very low51.4Low230 Ų230145.2 Ų145.287%0.86873%0.728SS**  trans-53.8123.6169.8-75.6-179.4170.5173.4-3.9104.4I928 T932I928-R930 VanDerWaalsContact C-N 3.29Å; I928-R930 PolarHBondContact O-N 2.71Å; R930-T932 PolarHBondContact O-N 3.18Å
931K44.2Very low53.4Low208 Ų208140.9 Ų140.990%0.90471%0.708SS**  trans-52.3112.4166.4-74.1-173.3174.9-173.90105.1R929 Q933R929-K931 PolarHBondContact O-N 2.87Å; R929-K931 VanDerWaalsContact O-N 3.09Å; K931-Q933 PolarHBondContact O-N 2.97Å
932T58.1Low55.3Low129 Ų129141 Ų14179%0.79170%0.698SS**PPolyproline II helixtrans-53.3134.3162.6400000105.7R930R930-T932 PolarHBondContact O-N 3.18Å
933Q56.4Low57.5Low166 Ų166137.2 Ų137.278%0.77668%0.68SS**PPolyproline II helixtrans-48.6138.5169.8-72.4-76.99.500107.6K931 I935K931-Q933 PolarHBondContact O-N 2.97Å; Q933-I935 PolarHBondContact O-N 3.14Å
934P56.1Low59.4Low94 Ų94133.5 Ų133.561%0.6167%0.665SS**PPolyproline II helixtrans-55128.1169.825.8-32.6000107.3T936P934-T936 PolarHBondContact O-N 3.44Å; P934-T936 VanDerWaalsContact O-N 3.08Å
935I71.8Confident61.4Low130 Ų130130.7 Ų130.767%0.66764%0.642SS**PPolyproline II helixtrans-58.5118.2177.4-61.4174.4000106.4Q933 D939 L940Q933-I935 PolarHBondContact O-N 3.14Å; I935-D939 HydrophobicContact CG2-CB 3.85Å; I935-L940 HydrophobicContact CG2-CD1 3.78Å
936T73.9Confident63.3Low64 Ų64126.9 Ų126.939%0.39363%0.63SS.*PPolyproline II helixtrans-79.8162.2-177.564.20000110.5P934 D938 D939 L940P934-T936 PolarHBondContact O-N 3.44Å; P934-T936 VanDerWaalsContact O-N 3.08Å; T936-D938 PolarHBondContact O-N 3.48Å; T936-D939 WeakPolarHBondContact CB-OD2 3.45Å; T936-D939 PolarHBondContact N-OD2 2.96Å; T936-D939 PolarHBondContact O-N 3.22Å; T936-D939 VanDerWaalsContact O-N 3.13Å; T936-D939 PolarHBondContact OG1-N 3.14Å; T936-D939 VanDerWaalsContact OG1-N 3.15Å; T936-D939 PolarHBondContact OG1-OD2 3.43Å; T936-L940 PolarHBondContact O-N 3.12Å; T936-L940 VanDerWaalsContact O-N 3.11Å
937L75.1Confident65.3Low147 Ų147120 Ų12077%0.7761%0.61SS**Hα-helixtrans-57-34.8170.3-87.5159.1000111.4L940 A941L937-L940 PolarHBondContact O-N 3.34Å; L937-A941 WeakPolarHBondContact O-CB 3.45Å; L937-A941 PolarHBondContact O-N 2.78Å
938D77.1Confident66.9Low107 Ų107116.7 Ų116.757%0.57259%0.587SS**Hα-helixtrans-66-37.5175.9-61.1-18.3000112.6T936 K942T936-D938 PolarHBondContact O-N 3.48Å; D938-K942 WeakPolarHBondContact O-CB 3.15Å; D938-K942 WeakPolarHBondContact O-CD 3.21Å; D938-K942 VanDerWaalsContact O-CG 3.26Å; D938-K942 WeakPolarHBondContact O-CG 2.71Å; D938-K942 PolarHBondContact O-N 2.61Å
939D77.3Confident68.7Low76 Ų76112.4 Ų112.441%0.40656%0.564SS.*Hα-helixtrans-66.2-40.3174.9-61.8-50.5000110.8I935 T936 A943I935-D939 HydrophobicContact CG2-CB 3.85Å; T936-D939 WeakPolarHBondContact CB-OD2 3.45Å; T936-D939 PolarHBondContact N-OD2 2.96Å; T936-D939 PolarHBondContact O-N 3.22Å; T936-D939 VanDerWaalsContact O-N 3.13Å; T936-D939 PolarHBondContact OG1-N 3.14Å; T936-D939 VanDerWaalsContact OG1-N 3.15Å; T936-D939 PolarHBondContact OG1-OD2 3.43Å; D939-A943 WeakPolarHBondContact O-CB 3.19Å; D939-A943 PolarHBondContact O-N 3.48Å
940L80.1Confident70.5Confident93 Ų93110.2 Ų110.249%0.48756%0.561SS.*Hα-helixtrans-66.9-43.2175.8-131.483.8000111.7I935 T936 L937 A943 N944I935-L940 HydrophobicContact CG2-CD1 3.78Å; T936-L940 PolarHBondContact O-N 3.12Å; T936-L940 VanDerWaalsContact O-N 3.11Å; L937-L940 PolarHBondContact O-N 3.34Å; L940-A943 PolarHBondContact O-N 2.8Å; L940-N944 WeakPolarHBondContact O-CB 3.32Å; L940-N944 VanDerWaalsContact O-CG 3.28Å; L940-N944 PolarHBondContact O-N 2.89Å; L940-N944 PolarHBondContact O-ND2 3.07Å
941A78Confident71.7Confident55 Ų55108.3 Ų108.346%0.45556%0.555SS.*Hα-helixtrans-61.8-46.4177.300000111.4L937 A943 N944 Q945L937-A941 WeakPolarHBondContact O-CB 3.45Å; L937-A941 PolarHBondContact O-N 2.78Å; A941-A943 PolarHBondContact O-N 2.77Å; A941-N944 PolarHBondContact O-N 3.13Å; A941-Q945 WeakPolarHBondContact O-CB 3.46Å; A941-Q945 PolarHBondContact O-N 3.07Å
942K78.3Confident72.6Confident122 Ų122106.3 Ų106.353%0.5354%0.543SS..Hα-helixtrans-62.3-41.2174.9-74.2166.9-175.1161.80112.6D938 Q945 L946D938-K942 WeakPolarHBondContact O-CB 3.15Å; D938-K942 WeakPolarHBondContact O-CD 3.21Å; D938-K942 VanDerWaalsContact O-CG 3.26Å; D938-K942 WeakPolarHBondContact O-CG 2.71Å; D938-K942 PolarHBondContact O-N 2.61Å; K942-Q945 PolarHBondContact O-N 2.81Å; K942-L946 WeakPolarHBondContact O-CB 3.49Å; K942-L946 WeakPolarHBondContact O-CG 3.35Å; K942-L946 PolarHBondContact O-N 3.22Å
943A79.4Confident72.3Confident46 Ų46103.6 Ų103.638%0.3854%0.54SS..Hα-helixtrans-62.8-44.7175.900000111.5D939 L940 A941 L946 I947D939-A943 WeakPolarHBondContact O-CB 3.19Å; D939-A943 PolarHBondContact O-N 3.48Å; L940-A943 PolarHBondContact O-N 2.8Å; A941-A943 PolarHBondContact O-N 2.77Å; A943-L946 PolarHBondContact O-N 3.36Å; A943-I947 WeakPolarHBondContact O-CD1 3.31Å; A943-I947 VanDerWaalsContact O-CG1 3.23Å; A943-I947 WeakPolarHBondContact O-CG1 3.32Å; A943-I947 PolarHBondContact O-N 2.84Å
944N76.4Confident72.2Confident86 Ų86103 Ų10346%0.4654%0.535SS..Hα-helixtrans-64.9-40.1176.7-72-16.5000112.1L940 A941 I947 L948L940-N944 WeakPolarHBondContact O-CB 3.32Å; L940-N944 VanDerWaalsContact O-CG 3.28Å; L940-N944 PolarHBondContact O-N 2.89Å; L940-N944 PolarHBondContact O-ND2 3.07Å; A941-N944 PolarHBondContact O-N 3.13Å; N944-I947 PolarHBondContact O-N 3.45Å; N944-L948 VanDerWaalsContact O-CG 3.3Å; N944-L948 WeakPolarHBondContact O-CG 3.4Å; N944-L948 PolarHBondContact O-N 3.41Å
945Q75.9Confident72Confident55 Ų55104.9 Ų104.926%0.25754%0.536SS..Hα-helixtrans-62.5-48.6176.1-166166.219.500111.3A941 K942 I947 L948 E949 L956A941-Q945 WeakPolarHBondContact O-CB 3.46Å; A941-Q945 PolarHBondContact O-N 3.07Å; K942-Q945 PolarHBondContact O-N 2.81Å; Q945-I947 VanDerWaalsContact C-N 3.26Å; Q945-I947 PolarHBondContact O-N 3.23Å; Q945-L948 PolarHBondContact O-N 3.39Å; Q945-L948 VanDerWaalsContact O-N 3.13Å; Q945-E949 WeakPolarHBondContact O-CB 3.48Å; Q945-E949 VanDerWaalsContact O-CG 3.31Å; Q945-E949 WeakPolarHBondContact O-CG 3.43Å; Q945-E949 PolarHBondContact O-N 3Å; Q945-L956 PolarHBondContact NE2-O 3.41Å
946L77.8Confident71.2Confident111 Ų111102.7 Ų102.758%0.58153%0.525SS*.Hα-helixtrans-59.5-33.5174.8-76.3167.7000113.4K942 A943 K950K942-L946 WeakPolarHBondContact O-CB 3.49Å; K942-L946 WeakPolarHBondContact O-CG 3.35Å; K942-L946 PolarHBondContact O-N 3.22Å; A943-L946 PolarHBondContact O-N 3.36Å; L946-K950 PolarHBondContact O-N 3.41Å
947I78.5Confident70.2Confident86 Ų86107.3 Ų107.344%0.44154%0.542SS..Hα-helixtrans-69.4-47.7174.7-72.1165.2000110.3A943 N944 Q945 K950 Y951A943-I947 WeakPolarHBondContact O-CD1 3.31Å; A943-I947 VanDerWaalsContact O-CG1 3.23Å; A943-I947 WeakPolarHBondContact O-CG1 3.32Å; A943-I947 PolarHBondContact O-N 2.84Å; N944-I947 PolarHBondContact O-N 3.45Å; Q945-I947 VanDerWaalsContact C-N 3.26Å; Q945-I947 PolarHBondContact O-N 3.23Å; I947-K950 WeakPolarHBondContact O-CB 3.5Å; I947-K950 PolarHBondContact O-N 2.95Å; I947-Y951 HydrophobicContact CG2-CD2 3.72Å; I947-Y951 HydrophobicContact CG2-CE2 3.78Å; I947-Y951 VanDerWaalsContact O-CD2 3.25Å; I947-Y951 WeakPolarHBondContact O-CD2 3.49Å; I947-Y951 PolarHBondContact O-N 2.93Å
948L74Confident68.8Low70 Ų70102.4 Ų102.437%0.36652%0.52SS..Hα-helixtrans-65.5-38.9179.7-69167.6000112.1N944 Q945 K950 Y951 Y952 L956N944-L948 VanDerWaalsContact O-CG 3.3Å; N944-L948 WeakPolarHBondContact O-CG 3.4Å; N944-L948 PolarHBondContact O-N 3.41Å; Q945-L948 PolarHBondContact O-N 3.39Å; Q945-L948 VanDerWaalsContact O-N 3.13Å; L948-K950 VanDerWaalsContact C-N 3.32Å; L948-K950 PolarHBondContact O-N 3.42Å; L948-Y951 PolarHBondContact O-N 3.35Å; L948-Y952 HydrophobicContact CB-CD2 4.49Å; L948-Y952 HydrophobicContact CD2-CD2 4.09Å; L948-Y952 HydrophobicContact CD2-CE2 3.8Å; L948-Y952 WeakPolarHBondContact O-CB 3.49Å; L948-Y952 WeakPolarHBondContact O-CD2 3.4Å; L948-Y952 PolarHBondContact O-N 2.9Å; L948-L956 HydrophobicContact CB-CD1 3.62Å; L948-L956 HydrophobicContact CD1-CD1 3.74Å; L948-L956 HydrophobicContact CG-CD1 4.22Å
949E73.8Confident67.6Low52 Ų52103 Ų10324%0.24353%0.53CS..Hα-helixtrans-58.7-43.2172.4-73.8-179.1169.600111.9Q945 G953 H955Q945-E949 WeakPolarHBondContact O-CB 3.48Å; Q945-E949 VanDerWaalsContact O-CG 3.31Å; Q945-E949 WeakPolarHBondContact O-CG 3.43Å; Q945-E949 PolarHBondContact O-N 3Å; E949-G953 WeakPolarHBondContact O-CA 3.37Å; E949-G953 PolarHBondContact O-N 3.34Å; E949-H955 IonicContact OE1-CD2 3.12Å; E949-H955 PolarHBondContact OE1-CD2 3.43Å; E949-H955 IonicContact OE1-CG 3.84Å; E949-H955 IonicContact OE1-NE2 3.94Å
950K75.8Confident65.8Low188 Ų188108.1 Ų108.182%0.81755%0.548SS*.Hα-helixtrans-63.2-37.9174.2-94.4-168.2172.9-170.60113.5L946 I947 L948L946-K950 PolarHBondContact O-N 3.41Å; I947-K950 WeakPolarHBondContact O-CB 3.5Å; I947-K950 PolarHBondContact O-N 2.95Å; L948-K950 VanDerWaalsContact C-N 3.32Å; L948-K950 PolarHBondContact O-N 3.42Å
951Y68.3Low63.6Low189 Ų189105.9 Ų105.974%0.74155%0.548SS*.Hα-helixtrans-82.5-36.4-176.7-84.2-68.1000113.7I947 L948I947-Y951 HydrophobicContact CG2-CD2 3.72Å; I947-Y951 HydrophobicContact CG2-CE2 3.78Å; I947-Y951 VanDerWaalsContact O-CD2 3.25Å; I947-Y951 WeakPolarHBondContact O-CD2 3.49Å; I947-Y951 PolarHBondContact O-N 2.93Å; L948-Y951 PolarHBondContact O-N 3.35Å
952Y63.2Low61.7Low167 Ų167108 Ų10866%0.65556%0.56SS**Hα-helixtrans-101.6-8.1-175.2-69.4-76.3000114L948 K954L948-Y952 HydrophobicContact CB-CD2 4.49Å; L948-Y952 HydrophobicContact CD2-CD2 4.09Å; L948-Y952 HydrophobicContact CD2-CE2 3.8Å; L948-Y952 WeakPolarHBondContact O-CB 3.49Å; L948-Y952 WeakPolarHBondContact O-CD2 3.4Å; L948-Y952 PolarHBondContact O-N 2.9Å; Y952-K954 PolarHBondContact O-N 3.46Å
953G50.4Low59.7Low72 Ų72109.3 Ų109.374%0.74258%0.578SS**SBendtrans62.611.9179.200000114.1E949E949-G953 WeakPolarHBondContact O-CA 3.37Å; E949-G953 PolarHBondContact O-N 3.34Å
954K54.1Low57.8Low154 Ų154115.8 Ų115.867%0.6760%0.597SS**SBendtrans-122.4126.4179.6-67.6-174.9-179.7-173.40107.6Y952 L956Y952-K954 PolarHBondContact O-N 3.46Å; K954-L956 PolarHBondContact O-N 3.21Å
955H53.6Low55.7Low133 Ų133115 Ų11562%0.61661%0.609SS**  trans-54.1107.1162.6-177.2-106000107E949 E957E949-H955 IonicContact OE1-CD2 3.12Å; E949-H955 PolarHBondContact OE1-CD2 3.43Å; E949-H955 IonicContact OE1-CG 3.84Å; E949-H955 IonicContact OE1-NE2 3.94Å; H955-E957 PolarHBondContact O-N 3.16Å
956L54.1Low53.9Low83 Ų83120.4 Ų120.444%0.43564%0.64SS.*  trans-7391.4170.9-82.4174.8000105.7Q945 L948 K954 S958Q945-L956 PolarHBondContact NE2-O 3.41Å; L948-L956 HydrophobicContact CB-CD1 3.62Å; L948-L956 HydrophobicContact CD1-CD1 3.74Å; L948-L956 HydrophobicContact CG-CD1 4.22Å; K954-L956 PolarHBondContact O-N 3.21Å; L956-S958 PolarHBondContact O-N 3.2Å; L956-S958 VanDerWaalsContact O-N 3.08Å
957E52.2Low52.2Low162 Ų162123 Ų12376%0.75765%0.649SS**  trans-50.9116177.7-163.9151.6-143.700108.5H955H955-E957 PolarHBondContact O-N 3.16Å
958S46.4Very low50.2Low44 Ų44126.8 Ų126.831%0.30867%0.665SS.*  trans-56.3133.6-174.9176.30000109L956 F960 G961L956-S958 PolarHBondContact O-N 3.2Å; L956-S958 VanDerWaalsContact O-N 3.08Å; S958-F960 PolarHBondContact O-N 3.24Å; S958-F960 PolarHBondContact OG-N 2.91Å; S958-G961 PolarHBondContact O-N 2.89Å
959P51.2Low48.5Very low119 Ų119131.2 Ų131.277%0.77369%0.689SS**THydrogen-bonded Turntrans-63.1-6.5172.426.8-33.9000112.7
960F40.2Very low46.8Very low183 Ų183133.5 Ų133.580%0.80371%0.711SS**THydrogen-bonded Turntrans-113.340.5169.3-56.5-74.7000111.5S958 S962S958-F960 PolarHBondContact O-N 3.24Å; S958-F960 PolarHBondContact OG-N 2.91Å; F960-S962 PolarHBondContact O-N 3.12Å
961G33.9Very low45Very low46 Ų46134.2 Ų134.247%0.47471%0.714SS.*  trans-53.1119.9172.100000110.7S958 V963S958-G961 PolarHBondContact O-N 2.89Å; G961-V963 PolarHBondContact O-N 3.49Å
962S37.3Very low43.3Very low101 Ų101128.2 Ų128.271%0.70671%0.71SS**  trans-60.6111.6-170.9-171.50000111.2F960 K964F960-S962 PolarHBondContact O-N 3.12Å; S962-K964 PolarHBondContact O-N 3.24Å
963V36.2Very low42.1Very low149 Ų149129.9 Ų129.990%0.90372%0.721SS**  trans-67.184.8167.7-176.90000108.5G961G961-V963 PolarHBondContact O-N 3.49Å
964K39.6Very low41.6Very low182 Ų182134.1 Ų134.179%0.79172%0.721SS**  trans-115.3109.8157.9-80.7-164.1169.5-167.90106.7S962S962-K964 PolarHBondContact O-N 3.24Å
965G32.2Very low40.5Very low69 Ų69135.4 Ų135.471%0.71173%0.729SS**  trans-64.3136.7170.900000109.8
966D39.2Very low39.8Very low169 Ų169138.1 Ų138.190%0.90474%0.735SS**  trans-128.7149.2139.6-86.9-45.1000105.9
967E41.7Very low38.7Very low164 Ų164141.3 Ų141.377%0.76675%0.753SS**  trans-89.1164.5-158-50.9175.9147.100113.3
968Q36.3Very low38Very low167 Ų167137.8 Ų137.878%0.7875%0.746SS**  trans62.8102158.5-63.4171.358.800117.2
969D38.7Very low37.3Very low163 Ų163144.4 Ų144.487%0.87277%0.772SS**  -151.8141.9107-115.5-28.1000112.9
970S37.6Very low36.7Very low100 Ų100146.1 Ų146.170%0.69977%0.773SS**  trans-94117-168.9-179.60000112.4
971F39.2Very low36.4Very low203 Ų203142.3 Ų142.389%0.8977%0.769SS**  trans-137.287.2154.1-78.6-74.6000109.4
972G32.2Very low36.6Very low63 Ų63145.3 Ų145.365%0.64978%0.778SS**  trans-70137.1-178.600000113
973F37.6Very low36.7Very low202 Ų202146.7 Ų146.789%0.88679%0.785SS**  trans-129.9143.8149.4-84.7-80.4000108.5
974H40Very low36.7Very low160 Ų160148.9 Ų148.974%0.74179%0.785SS**  trans-62.3136.5-154.2-76.9-85.9000115.5Y976H974-Y976 HydrophobicContact CB-CD2 3.93Å; H974-Y976 HydrophobicContact CB-CE2 3.94Å; H974-Y976 PolarHBondContact O-N 2.95Å
975E31.6Very low36.6Very low181 Ų181144.4 Ų144.485%0.84678%0.782SS**  trans-55.6101.2151.3-174.7166.7-137.500108.6
976Y37.8Very low36.6Very low191 Ų191146.1 Ų146.175%0.74978%0.784SS**  trans-99.5105.9166.3-92.9-79.9000108.3H974 S978H974-Y976 HydrophobicContact CB-CD2 3.93Å; H974-Y976 HydrophobicContact CB-CE2 3.94Å; H974-Y976 PolarHBondContact O-N 2.95Å; Y976-S978 PolarHBondContact O-N 3.45Å
977D32.3Very low36.5Very low150 Ų150146.7 Ų146.780%0.80279%0.785SS**  trans-54.590158.8-78.5-50.1000109.6
978S36.7Very low36.2Very low87 Ų87150.2 Ų150.261%0.60879%0.792SS**  trans-112.796.4176-78.40000109.9Y976 I980Y976-S978 PolarHBondContact O-N 3.45Å; S978-I980 PolarHBondContact O-N 2.65Å
979Q32.1Very low36.1Very low184 Ų184148.1 Ų148.186%0.8680%0.795SS**  trans-59.895.7179.5-58173.99.900111.5
980I37.7Very low36Very low155 Ų155151.2 Ų151.280%0.79580%0.795SS**  trans-129.768.4167.9-56.8177.3000106S978S978-I980 PolarHBondContact O-N 2.65Å
981S35.4Very low36Very low102 Ų102157.3 Ų157.371%0.71380%0.804SS**  62.680.278.6-159.10000112.1
982T38.3Very low35.9Very low110 Ų110155.6 Ų155.668%0.67580%0.804SS**  trans-67.4122.2167.440.10000111E984T982-E984 VanDerWaalsContact C-N 3.32Å; T982-E984 PolarHBondContact O-N 3.34Å
983P38.5Very low36.1Very low129 Ų129161.2 Ų161.284%0.83881%0.814SS**THydrogen-bonded Turntrans-87.620.7-177.936.2-36.5000114.8
984E36Very low36.3Very low195 Ų195158.9 Ų158.991%0.91181%0.811SS**THydrogen-bonded Turntrans-126.53.7-177.4-70.1-163.1136.300115.8T982T982-E984 VanDerWaalsContact C-N 3.32Å; T982-E984 PolarHBondContact O-N 3.34Å
985A37.3Very low36Very low89 Ų89156.1 Ų156.174%0.73681%0.809SS**SBendtrans-108.91.7179.100000114.9
986S33.4Very low36.1Very low105 Ų105152.6 Ų152.673%0.73480%0.804SS**  trans-126.860-169-160.10000114
987L35.5Very low36.2Very low180 Ų180150.1 Ų150.194%0.94280%0.804SS**  trans-126.452161.3-83175.3000111.2
988R37Very low36.9Very low238 Ų238150 Ų15090%0.89880%0.801SS**SBendtrans-129.1141.3156.8-84.1-179.9163.9178.1-5.7107.3
989S33.3Very low37.1Very low123 Ų123158.2 Ų158.286%0.8683%0.83SS**  trans77.271.6-173-156.70000116.4
990R36.6Very low37.3Very low229 Ų229157 Ų15786%0.86483%0.829SS**  trans-144157.3133.2-82-162.8-99-154.3-3.6107.1
991Y38.2Very low37.3Very low228 Ų228157.1 Ų157.189%0.89483%0.83SS**  trans73.568-167.7-48.6-71.2000115.1
992N36.6Very low37.4Very low166 Ų166160.1 Ų160.189%0.88884%0.837SS**  trans-149.657.7154.9-149.230.4000110.8
993E36.4Very low37.3Very low181 Ų181163.1 Ų163.185%0.84685%0.847SS**  trans-160.4150.6171.5-109.5164-159.100107.4
994N41.3Very low37.3Very low154 Ų154165.2 Ų165.282%0.82485%0.847SS**  trans70.372.9-161.6-52.7-9.7000112.3
995S33.8Very low37.3Very low102 Ų102163.2 Ų163.271%0.71384%0.843SS**  56.5113.958.481.50000115.4
996S34.9Very low37.4Very low106 Ų106168.5 Ų168.574%0.74185%0.85SS**  trans79.8145.3157.779.80000120.8
997L39.4Very low37.7Very low140 Ų140173.4 Ų173.473%0.73386%0.859SS**  trans81.4105.7166.2-83.367.9000120.3
998I45.9Very low37.8Very low147 Ų147172.8 Ų172.875%0.75485%0.852SS**  65.9126.1127.7-56.8164000116.4
999E40.7Very low37.9Very low260 Ų260166.9 Ų166.9100%1.21585%0.848SS**  cis-138.9016.2-159.8167.5-166.300111.3

Retrieved 999 of 999 residues in 527 ms (Link to these results)