A0A096MQU1_PAPAN Loading...

Enamelin

AlphaFold DB , UniProt , Accession A0A096MQU1, Species PAPAN (Papio anubis, Olive baboon), Gene ENAM, Length 1,139 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
1M27.6Very low30.6Very low237 Ų237161 Ų161100%1.16785%0.848SS**  0144.60-56.4-175.5-161.900107.5
2L26.6Very low30.7Very low148 Ų148163.5 Ų163.578%0.77585%0.847SS**  cis-152.9130.3-5.1-153.6120.3000108.8
3V29.2Very low31.3Very low114 Ų114159.4 Ų159.469%0.69184%0.837SS**  trans40.7117.1153.9-175.70000117.8
4L34.6Very low32.1Very low161 Ų161161.4 Ų161.484%0.84384%0.835SS**  -139.4139.180-90.8165.9000114.2
5R29.9Very low32.5Very low241 Ų241160.1 Ų160.191%0.90983%0.83SS**  trans-134.890.7-176-173.6-171.8-168.7-169.26.4110.1
6C29.3Very low32.8Very low118 Ų118159.3 Ų159.380%0.79783%0.826SS**  trans-98.297.8-177.3-73.50000112.5
7R27.6Very low33.5Very low239 Ų239158.6 Ų158.690%0.90282%0.824SS**  trans14.6122.7155.5-67.1179.7172.8171.8-3.3119.2
8H32.1Very low34.3Very low200 Ų200158.1 Ų158.193%0.92682%0.822SS**  trans-56.2149.9143.6-73.2-63.1000110.4
9G32.5Very low34.9Very low77 Ų77153.6 Ų153.679%0.79480%0.802SS**  trans170.89.8172.500000120.7
10T31.3Very low35.7Very low147 Ų147150.4 Ų150.490%0.90279%0.791SS**  trans-135131.7173.950.10000111.5
11S36Very low36.5Very low89 Ų89152.8 Ų152.862%0.62280%0.795SS**  trans-97.1178.2-177.955.50000113.1
12F32Very low37.8Very low191 Ų191143.9 Ų143.984%0.83876%0.763SS**  trans79.9149.5174.3-52.6-70.7000116.6
13P38.5Very low39.2Very low110 Ų110143.5 Ų143.571%0.71476%0.756SS**  cis-131171-28.434.3-17.2000114.1
14K42.2Very low40.7Very low187 Ų187143.6 Ų143.681%0.81375%0.75SS**  trans8.8107.8162.9-71.1-178.4174.2178.60117.4
15L37.4Very low41.8Very low143 Ų143143.7 Ų143.775%0.74974%0.743SS**  trans-1125.2166.4-113.9168.3000114N17L15-N17 PolarHBondContact O-N 3.08Å
16D38.4Very low43.6Very low146 Ų146137.1 Ų137.178%0.78173%0.725SS**THydrogen-bonded Turntrans-68.9-2-173.1-59.5-73.1000116.4
17N44.4Very low45.5Very low148 Ų148136.6 Ų136.679%0.79171%0.714SS**THydrogen-bonded Turntrans-1237.2-168.8-83.4-36.6000115.9L15L15-N17 PolarHBondContact O-N 3.08Å
18L47.8Very low47.6Very low150 Ų150130.5 Ų130.579%0.78570%0.699SS**SBendtrans-122.716.7-175.1-81.8173.1000116.5
19V46.1Very low49.4Very low73 Ų73125.1 Ų125.144%0.44268%0.68SS.*SBendtrans-137.4117.7161.6-166.90000110.6K21 K23 M24V19-K21 PolarHBondContact O-N 2.79Å; V19-K23 HydrophobicContact CG1-CB 3.8Å; V19-M24 HydrophobicContact CG1-CB 3.92Å
20P50.2Low51Low88 Ų88127.4 Ų127.457%0.57167%0.668SS**  trans-65130.8169.927.5-32.9000108.8G22 K23P20-G22 PolarHBondContact O-N 3.09Å; P20-K23 HydrophobicContact CG-CB 4.39Å; P20-K23 HydrophobicContact CG-CD 4.01Å; P20-K23 HydrophobicContact CG-CG 4.14Å; P20-K23 PolarHBondContact O-N 3.33Å
21K53.2Low52.9Low202 Ų202125.3 Ų125.388%0.87865%0.651SS**Hα-helixtrans-53.5-19.1-159.6-71.4-175.9175.2179.90117V19V19-K21 PolarHBondContact O-N 2.79Å
22G53.8Low54.3Low49 Ų49122.7 Ų122.751%0.50564%0.638SS.*Hα-helixtrans-72.4-37.1170.400000114.7P20 M24 K25 I26P20-G22 PolarHBondContact O-N 3.09Å; G22-M24 PolarHBondContact O-N 3.38Å; G22-K25 PolarHBondContact O-N 3Å; G22-I26 PolarHBondContact O-N 2.83Å
23K56.1Low55.7Low141 Ų141118.3 Ų118.361%0.61362%0.622SS**Hα-helixtrans-70.7-30.2-172.3-75.8-169.2178.1-1750113.7V19 P20 K25 I26 L27V19-K23 HydrophobicContact CG1-CB 3.8Å; P20-K23 HydrophobicContact CG-CB 4.39Å; P20-K23 HydrophobicContact CG-CD 4.01Å; P20-K23 HydrophobicContact CG-CG 4.14Å; P20-K23 PolarHBondContact O-N 3.33Å; K23-K25 VanDerWaalsContact C-N 3.32Å; K23-I26 PolarHBondContact O-N 3.01Å; K23-L27 WeakPolarHBondContact O-CB 3.23Å; K23-L27 PolarHBondContact O-N 2.92Å
24M60.5Low56.7Low115 Ų115117.8 Ų117.857%0.56761%0.613SS**Hα-helixtrans-68.3-34.3175.7-157.5170.5-171.200111.6V19 G22 L27 L28V19-M24 HydrophobicContact CG1-CB 3.92Å; G22-M24 PolarHBondContact O-N 3.38Å; M24-L27 PolarHBondContact O-N 2.77Å; M24-L28 WeakPolarHBondContact O-CB 3.41Å; M24-L28 WeakPolarHBondContact O-CG 2.94Å; M24-L28 PolarHBondContact O-N 2.68Å
25K59Low57.2Low163 Ų163111 Ų11171%0.70960%0.596SS**Hα-helixtrans-68-41.3174.1-143.6176.5-173.3-176.30111.2G22 K23 L28 V29G22-K25 PolarHBondContact O-N 3Å; K23-K25 VanDerWaalsContact C-N 3.32Å; K25-L28 PolarHBondContact O-N 3.24Å; K25-V29 WeakPolarHBondContact O-CB 3.27Å; K25-V29 VanDerWaalsContact O-CG2 3.3Å; K25-V29 WeakPolarHBondContact O-CG2 3.46Å; K25-V29 PolarHBondContact O-N 2.95Å
26I67.2Low57.8Low103 Ų103110.5 Ų110.553%0.52859%0.594SS.*Hα-helixtrans-63.3-42.5173-65.1170000111.3G22 K23 V29 F30G22-I26 PolarHBondContact O-N 2.83Å; K23-I26 PolarHBondContact O-N 3.01Å; I26-V29 PolarHBondContact O-N 3.31Å; I26-F30 HydrophobicContact CG2-CD2 4.07Å; I26-F30 HydrophobicContact CG2-CE2 4.5Å; I26-F30 WeakPolarHBondContact O-CB 3.13Å; I26-F30 PolarHBondContact O-N 2.88Å
27L68.4Low58.3Low108 Ų108107.6 Ų107.657%0.56559%0.585SS**Hα-helixtrans-63.6-42.7177.4-163.588.7000111.8K23 M24 F30 L31K23-L27 WeakPolarHBondContact O-CB 3.23Å; K23-L27 PolarHBondContact O-N 2.92Å; M24-L27 PolarHBondContact O-N 2.77Å; L27-F30 PolarHBondContact O-N 3.03Å; L27-L31 HydrophobicContact CD2-CD1 4.12Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 WeakPolarHBondContact O-CG 3.01Å; L27-L31 PolarHBondContact O-N 2.93Å
28L71.8Confident58.5Low111 Ų111106.5 Ų106.558%0.58158%0.584SS**Hα-helixtrans-67.4-35.6176-73.7168.1000112.4M24 K25 L31 G32M24-L28 WeakPolarHBondContact O-CB 3.41Å; M24-L28 WeakPolarHBondContact O-CG 2.94Å; M24-L28 PolarHBondContact O-N 2.68Å; K25-L28 PolarHBondContact O-N 3.24Å; L28-L31 PolarHBondContact O-N 3.39Å; L28-G32 PolarHBondContact O-N 2.83Å
29V70.8Confident58.4Low86 Ų86103 Ų10352%0.52158%0.576SS.*Hα-helixtrans-68.3-40.2172168.70000111.2K25 I26 G32 L33K25-V29 WeakPolarHBondContact O-CB 3.27Å; K25-V29 VanDerWaalsContact O-CG2 3.3Å; K25-V29 WeakPolarHBondContact O-CG2 3.46Å; K25-V29 PolarHBondContact O-N 2.95Å; I26-V29 PolarHBondContact O-N 3.31Å; V29-G32 PolarHBondContact O-N 3.5Å; V29-L33 HydrophobicContact CG1-CD1 3.87Å; V29-L33 HydrophobicContact CG1-CG 4.46Å; V29-L33 WeakPolarHBondContact O-CB 3.22Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 2.99Å
30F65.1Low57.8Low125 Ų125107 Ų10755%0.54859%0.592SS.*Hα-helixtrans-65.5-39.3173.2-105.5-90.7000112.6I26 L27 L33 L34I26-F30 HydrophobicContact CG2-CD2 4.07Å; I26-F30 HydrophobicContact CG2-CE2 4.5Å; I26-F30 WeakPolarHBondContact O-CB 3.13Å; I26-F30 PolarHBondContact O-N 2.88Å; L27-F30 PolarHBondContact O-N 3.03Å; F30-L33 PolarHBondContact O-N 3.43Å; F30-L34 HydrophobicContact CD1-CD1 4.04Å; F30-L34 WeakPolarHBondContact O-CB 3.29Å; F30-L34 VanDerWaalsContact O-CD1 3.27Å; F30-L34 WeakPolarHBondContact O-CD1 3.38Å; F30-L34 PolarHBondContact O-N 3.05Å
31L71.5Confident57.3Low103 Ų103108.3 Ų108.354%0.53960%0.6SS.*Hα-helixtrans-70.4-34.1175-77.6163000112.2L27 L28 G35L27-L31 HydrophobicContact CD2-CD1 4.12Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 WeakPolarHBondContact O-CG 3.01Å; L27-L31 PolarHBondContact O-N 2.93Å; L28-L31 PolarHBondContact O-N 3.39Å; L31-G35 WeakPolarHBondContact O-CA 3.29Å; L31-G35 PolarHBondContact O-N 3.43Å
32G65.4Low56.4Low34 Ų34107.4 Ų107.435%0.35160%0.602SS.*Hα-helixtrans-66.4-43.5170.100000112.4L28 V29 G35 N36L28-G32 PolarHBondContact O-N 2.83Å; V29-G32 PolarHBondContact O-N 3.5Å; G32-G35 PolarHBondContact O-N 3.35Å; G32-N36 WeakPolarHBondContact O-CB 3.37Å; G32-N36 PolarHBondContact O-N 3.18Å; G32-N36 PolarHBondContact O-ND2 2.92Å
33L62.3Low55.4Low99 Ų99113.7 Ų113.752%0.51862%0.618SS.*Hα-helixtrans-66-44.6175.8-74.4166.8000112.1V29 F30 S37V29-L33 HydrophobicContact CG1-CD1 3.87Å; V29-L33 HydrophobicContact CG1-CG 4.46Å; V29-L33 WeakPolarHBondContact O-CB 3.22Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 2.99Å; F30-L33 PolarHBondContact O-N 3.43Å; L33-S37 VanDerWaalsContact O-CB 3.26Å; L33-S37 WeakPolarHBondContact O-CB 2.96Å; L33-S37 PolarHBondContact O-N 2.82Å; L33-S37 PolarHBondContact O-OG 2.82Å
34L59.1Low54.4Low100 Ų100115.1 Ų115.152%0.52463%0.628SS.*Hα-helixtrans-66-41.8173.3-95.281.2000111.9F30 N36 S37 V38F30-L34 HydrophobicContact CD1-CD1 4.04Å; F30-L34 WeakPolarHBondContact O-CB 3.29Å; F30-L34 VanDerWaalsContact O-CD1 3.27Å; F30-L34 WeakPolarHBondContact O-CD1 3.38Å; F30-L34 PolarHBondContact O-N 3.05Å; L34-N36 VanDerWaalsContact C-N 3.34Å; L34-N36 PolarHBondContact O-N 3.34Å; L34-S37 CarbonylContact O-C 3.32Å; L34-S37 PolarHBondContact O-N 2.87Å; L34-V38 WeakPolarHBondContact O-CG2 3.09Å; L34-V38 PolarHBondContact O-N 3.42Å
35G52.8Low53.2Low44 Ų44115.1 Ų115.145%0.45464%0.637SS.*Hα-helixtrans-58.1-46.5176.500000111.9L31 G32 S37 V38L31-G35 WeakPolarHBondContact O-CA 3.29Å; L31-G35 PolarHBondContact O-N 3.43Å; G32-G35 PolarHBondContact O-N 3.35Å; G35-S37 VanDerWaalsContact C-N 3.29Å; G35-S37 PolarHBondContact O-N 3.43Å; G35-V38 PolarHBondContact O-N 2.96Å
36N49.9Very low51.9Low133 Ų133119 Ų11971%0.71165%0.648SS**Hα-helixtrans-70.8-22.1174.8-66.6-12.1000113.1G32 L34G32-N36 WeakPolarHBondContact O-CB 3.37Å; G32-N36 PolarHBondContact O-N 3.18Å; G32-N36 PolarHBondContact O-ND2 2.92Å; L34-N36 VanDerWaalsContact C-N 3.34Å; L34-N36 PolarHBondContact O-N 3.34Å
37S48.8Very low50.2Low84 Ų84123 Ų12359%0.58767%0.666SS**Hα-helixtrans-87.7-11.3177.7-58.10000114.5L33 L34 G35L33-S37 VanDerWaalsContact O-CB 3.26Å; L33-S37 WeakPolarHBondContact O-CB 2.96Å; L33-S37 PolarHBondContact O-N 2.82Å; L33-S37 PolarHBondContact O-OG 2.82Å; L34-S37 CarbonylContact O-C 3.32Å; L34-S37 PolarHBondContact O-N 2.87Å; G35-S37 VanDerWaalsContact C-N 3.29Å; G35-S37 PolarHBondContact O-N 3.43Å
38V48Very low48.7Very low126 Ų126124.1 Ų124.176%0.76468%0.68SS**SBendtrans-101.81.9174-1780000111.4L34 G35 M40L34-V38 WeakPolarHBondContact O-CG2 3.09Å; L34-V38 PolarHBondContact O-N 3.42Å; G35-V38 PolarHBondContact O-N 2.96Å; V38-M40 VanDerWaalsContact C-N 3.32Å; V38-M40 PolarHBondContact O-N 3.26Å
39A46.7Very low46.7Very low76 Ų76121.9 Ų121.963%0.62868%0.684SS**  trans-9228.1171.700000113.7P41A39-P41 WeakPolarHBondContact O-CD 3.32Å
40M33.3Very low44.8Very low158 Ų158128 Ų12878%0.77870%0.703SS**  trans-74.2120.6170.9-85.2-76.9-176.700110.4V38 M42V38-M40 VanDerWaalsContact C-N 3.32Å; V38-M40 PolarHBondContact O-N 3.26Å; M40-M42 PolarHBondContact O-N 3.5Å; M40-M42 VanDerWaalsContact O-N 3.15Å
41P39.5Very low42.9Very low114 Ų114127.7 Ų127.774%0.7472%0.717SS**  trans-71.2109.7174.828.5-32.7000110.2A39 H43A39-P41 WeakPolarHBondContact O-CD 3.32Å; P41-H43 PolarHBondContact O-N 2.81Å
42M33.5Very low40.8Very low183 Ų183127 Ų12790%0.90172%0.721SS**  trans-65.999173.3-84.3-169.2-81.800110.5M40 M44M40-M42 PolarHBondContact O-N 3.5Å; M40-M42 VanDerWaalsContact O-N 3.15Å; M42-M44 VanDerWaalsContact C-N 3.26Å; M42-M44 PolarHBondContact O-N 3.49Å
43H33.9Very low39.1Very low182 Ų182134.6 Ų134.684%0.84374%0.744SS**  trans-77.271.7-175-155.2-68.6000112.1P41P41-H43 PolarHBondContact O-N 2.81Å
44M33.9Very low37.6Very low170 Ų170135.4 Ų135.484%0.83776%0.758SS**  trans-69.7128-176.7-151.5172.7-166.800111.1M42 R46M42-M44 VanDerWaalsContact C-N 3.26Å; M42-M44 PolarHBondContact O-N 3.49Å; M44-R46 PolarHBondContact O-N 3.44Å
45P35.4Very low36.2Very low116 Ų116139 Ų13975%0.75377%0.772SS**  trans-75.1124.1-170.328.3-34.7000112.5M47P45-M47 PolarHBondContact O-N 2.83Å
46R33.5Very low35.3Very low245 Ų245144.5 Ų144.593%0.92579%0.786SS**  trans-76.1112.4170.9-89.9-175164.7125.2-4.4111M44M44-R46 PolarHBondContact O-N 3.44Å
47M31.4Very low34.3Very low187 Ų187147.2 Ų147.292%0.92180%0.797SS**  trans-75.8130158.9-74.8-176.6161.200110.1P45P45-M47 PolarHBondContact O-N 2.83Å
48P36.1Very low33.4Very low131 Ų131150.3 Ų150.385%0.85180%0.804SS**  trans-90.2121.8171.132.8-29.9000111.2
49G30.7Very low32.6Very low64 Ų64156 Ų15666%0.6681%0.811SS**  trans176.8102.5175.100000117.7
50F29.1Very low31.8Very low214 Ų214162.2 Ų162.294%0.93982%0.82SS**  trans70.5145.4153.2-67.2-84.4000122.5
51S25.8Very low31.6Very low119 Ų119161 Ų16183%0.83282%0.816SS**  trans82.9143.8157.7-154.20000119.5
52S28.1Very low31Very low88 Ų88161.9 Ų161.962%0.61581%0.811SS**  cis-174.9116.8-39.4166.50000112.1
53K29.2Very low30.9Very low194 Ų194161 Ų16184%0.84380%0.802SS**  trans62.7166.3152.6-68.1-174.4174.6-1760120
54S29.9Very low30.5Very low115 Ų115158 Ų15880%0.80479%0.792SS**  trans71.9146.4-175.5-44.40000113.6
55E31.1Very low30.2Very low176 Ų176158.3 Ų158.382%0.82279%0.789SS**  cis-141.3174.712.4-155.4155.414100112.7
56E32.8Very low29.8Very low159 Ų159159.8 Ų159.874%0.74379%0.788SS**  trans-42.4144.6-165.8-56.2-179.8159.200120.8
57M30.6Very low29.5Very low191 Ų191152.3 Ų152.394%0.94177%0.77SS**  -153.9148.2107.5-131.7171.164.200112.2
58M28.4Very low29.3Very low149 Ų149150.5 Ų150.573%0.73476%0.763SS**  trans-99.2151.4-166.4-64.2-169.2-75.800115.2
59R32.1Very low29.2Very low245 Ų245149.4 Ų149.493%0.92576%0.756SS**  trans-162.998.8139-107167-151.1-142.35.5113.2
60Y29.3Very low29.1Very low206 Ų206154.8 Ų154.881%0.80876%0.764SS**  trans37.2140148-80.9-90.8000124.1
61N29.3Very low29.1Very low132 Ų132153.1 Ų153.171%0.70676%0.763SS**  trans86.2141.7155.9-62.1-2.3000120.3
62Q27.4Very low29.3Very low133 Ų133150.9 Ų150.962%0.62175%0.752SS**  cis-177.4131-42.2158.7168.125.100109.6
63F30.1Very low29.5Very low165 Ų165155.4 Ų155.472%0.72476%0.763SS**  trans64.1154.1171.5-62-31.5000116.6
64N27.1Very low29.6Very low118 Ų118154.7 Ų154.763%0.63177%0.767SS**  cis-150.3176.2-9.5-117.1-13.3000113.2
65F26.8Very low29.5Very low178 Ų178151.8 Ų151.878%0.78176%0.756SS**  trans-44.9169.5178-58.6-88.4000117.5
66M26.3Very low29.9Very low146 Ų146149.1 Ų149.172%0.71975%0.754SS**  cis164.3128.6-24.2-171.8176.4-173.800107.1
67T28.2Very low29.9Very low88 Ų88151.5 Ų151.554%0.5476%0.762SS.*  trans64.6138.2158.749.10000123.3
68L26.5Very low29.8Very low150 Ų150152.4 Ų152.479%0.78576%0.761SS**  trans-66148.6164.4-68.168.6000112.7
69P34.6Very low29.6Very low108 Ų108148.8 Ų148.870%0.70176%0.762SS**  trans-99.4139.5164.335.5-29.7000114.3
70H28.9Very low29.5Very low177 Ų177145.7 Ų145.782%0.81976%0.764SS**  trans44.2108.2146-62.8-72.1000122.5
71L29.4Very low29.6Very low179 Ų179139.5 Ų139.594%0.93776%0.762SS**  trans-68.9146.4131.7-111158.9000109.4
72A30Very low29.9Very low71 Ų71141.2 Ų141.259%0.58777%0.771SS**  trans-150.7147.6-178.300000113.5
73H32.2Very low30.5Very low183 Ų183140.8 Ų140.885%0.84778%0.78SS**  trans58.9115.6166.1-72.680.8000119.5
74L31.1Very low30.5Very low179 Ų179140 Ų14094%0.93778%0.778SS**  -153135.9108.6-109166.1000110.6
75G27.1Very low30.7Very low55 Ų55143.9 Ų143.957%0.56779%0.793SS**  trans-107.1164.4178.300000112.5
76P40.3Very low31Very low119 Ų119143.4 Ų143.477%0.77379%0.791SS**  trans-88.3153.9-170.535.2-36000114
77F31.8Very low31.8Very low210 Ų210141.6 Ų141.692%0.92179%0.79SS**  trans-137.6156.9164.3-96.6-82.6000112.4
78F28.1Very low31.8Very low209 Ų209144.4 Ų144.492%0.91780%0.797SS**  trans-95164.1-167.6-74.4-118.2000113.3
79G25.8Very low31.9Very low74 Ų74146.2 Ų146.276%0.76379%0.794SS**  trans150.7120.6145.700000116.3
80N29.6Very low31.8Very low180 Ų180148.4 Ų148.496%0.96380%0.795SS**  trans-89.2145.7174.2-67.3-26.6000112.1
81G31.4Very low32Very low75 Ų75148.7 Ų148.777%0.77380%0.799SS**  trans-176.6122.8166.300000114
82L35.7Very low32.6Very low168 Ų168146 Ų14688%0.8879%0.792SS**  trans-132.8146.9172-85.5169.3000108.8
83P38.9Very low32.6Very low125 Ų125151 Ų15181%0.81281%0.806SS**  -146.6119.7105.534.4-17000116
84Q30Very low32.9Very low148 Ų148154.1 Ų154.169%0.69281%0.81SS**  28.9115.9126.5-169.1178.12200120.7F86Q84-F86 HydrophobicContact CG-CD2 3.77Å; Q84-F86 HydrophobicContact CG-CE2 3.91Å
85Q33.2Very low33.5Very low200 Ų200151.3 Ų151.394%0.93580%0.803SS**  trans-144.7147.9130.7-108.2174.810.200109.9
86F31.3Very low33.7Very low168 Ų168157.4 Ų157.474%0.73782%0.816SS**  trans-118.7177-167.3-90.3-74.1000110.2Q84Q84-F86 HydrophobicContact CG-CD2 3.77Å; Q84-F86 HydrophobicContact CG-CE2 3.91Å
87P43.5Very low33.8Very low107 Ų107157.5 Ų157.570%0.69582%0.817SS**  cis-137-164.52049.6-31.5000113.2
88Q27.8Very low34.2Very low148 Ų148153.1 Ų153.169%0.69281%0.809SS**  cis-157.4138-3.5-148.3165.1-33.900109.7
89Y30Very low34.6Very low187 Ų187149.5 Ų149.573%0.73381%0.807SS**  trans46157.7141.7-74.5-136.2000120.8
90Q31.5Very low34.6Very low155 Ų155156.8 Ų156.872%0.72481%0.812SS**  cis-163.3149.9-22.5-112.9-178-12.200105.8
91M34.5Very low34.6Very low183 Ų183155.2 Ų155.290%0.90180%0.798SS**PPolyproline II helixtrans-84.6131.9166.7-71.6-178.470.900110.5
92P40.4Very low34.9Very low122 Ų122156.7 Ų156.779%0.79279%0.794SS**PPolyproline II helixtrans-82.2126.1166.531.7-30.6000110.8
93M30.4Very low34.7Very low176 Ų176154.9 Ų154.987%0.86778%0.781SS**PPolyproline II helixtrans-70.8166.3162.4-73.7156.645.300110.8
94W38.3Very low34.3Very low249 Ų249155.3 Ų155.394%0.94377%0.771SS**PPolyproline II helixtrans-55.2135.5168.8-77.175.3000111.6
95P43.1Very low35.1Very low120 Ų120152.8 Ų152.878%0.77977%0.767SS**PPolyproline II helixtrans-77133.6173.230.7-33.1000111.6
96Q31.9Very low35Very low182 Ų182148.3 Ų148.385%0.8576%0.757SS**PPolyproline II helixtrans-78.2154.5162.3-76-172.5-17.100111
97P43.3Very low34.8Very low122 Ų122143.3 Ų143.379%0.79275%0.754SS**PPolyproline II helixtrans-78.9135.5-179.731.1-34.6000113
98P40.2Very low34.3Very low117 Ų117146.2 Ų146.276%0.7676%0.758SS**PPolyproline II helixtrans-87.1160.9170.434.3-33.8000113.4
99P35.8Very low34.4Very low134 Ų134146.8 Ų146.887%0.8776%0.758SS**  trans-87.6-176.7-172.335.9-38000115.9
100W25.7Very low34.3Very low227 Ų227147 Ų14786%0.8676%0.758SS**  trans-94.8142.7-167.2-105.122.4000116.9
101H30.5Very low34.3Very low147 Ų147145.3 Ų145.368%0.68175%0.75SS**  trans71.2163.2151.8-61.7-21.1000119.6
102P37.3Very low34.1Very low106 Ų106142.4 Ų142.469%0.68874%0.738SS**  cis-139.5-177.67.444.3-25.9000119.6
103Q30.2Very low33.6Very low129 Ų129145.4 Ų145.460%0.60374%0.738SS**  trans84.795.3151-79.1-177.2-10.300127.2F157 P158 P159Q103-F157 WeakPolarHBondContact CA-O 3.37Å; Q103-P158 CarbonylContact C-O 2.99Å; Q103-P158 WeakPolarHBondContact CA-O 3.47Å; Q103-P158 PolarHBondContact N-O 2.84Å; Q103-P158 VanDerWaalsContact N-O 3.09Å; Q103-P159 VanDerWaalsContact C-CD 3.45Å; Q103-P159 WeakPolarHBondContact O-CD 3.46Å; Q103-P159 WeakPolarHBondContact O-CG 3.35Å
104K32.4Very low33.6Very low135 Ų135141.9 Ų141.959%0.58773%0.726SS**  trans-75.7143.8169.8-84.3152.3-179.1175094.2F157 P158K104-F157 HydrophobicContact CB-CD1 4.25Å; K104-F157 PolarHBondContact N-O 3.32Å; K104-F157 CarbonylContact O-C 2.93Å; K104-F157 WeakPolarHBondContact O-CB 3Å; K104-P158 HydrophobicContact CB-CB 2.3Å; K104-P158 HydrophobicContact CB-CG 2.31Å; K104-P158 HydrophobicContact CD-CB 4.3Å; K104-P158 HydrophobicContact CG-CB 2.78Å; K104-P158 HydrophobicContact CG-CG 3.42Å; K104-P158 VanDerWaalsContact CG-CG 3.42Å; K104-P158 PolarHBondContact N-O 3.45Å; K104-P158 WeakPolarHBondContact O-CD 3.47Å
105P45.8Very low33.2Very low95 Ų95136.6 Ų136.662%0.61772%0.717SS**  -141.6168.198.130.7-11.1000116.7P158P105-P158 VanDerWaalsContact N-CD 3.32Å
106S31.2Very low32.9Very low105 Ų105139.2 Ų139.273%0.73472%0.719SS**  trans72.9146.117878.50000117.9
107G27.8Very low32.8Very low64 Ų64137.4 Ų137.466%0.6672%0.72SS**  cis164.4146.6-16.900000115.8
108Q31.4Very low32.5Very low167 Ų167137.3 Ų137.378%0.7871%0.709SS**  trans66.4159.7168.9-55.7-171.822.900114.6
109K30.8Very low32.1Very low160 Ų160136.8 Ų136.870%0.69670%0.697SS**  cis-161.3155.6-14.3-112.2167.2-1701590104.9
110R28.8Very low32Very low193 Ų193133.1 Ų133.173%0.72867%0.672SS**  cis-146.8-138.10.2-145.5163.3169.6-155.98.6104.8
111H31.5Very low32.4Very low119 Ų119128 Ų12855%0.55166%0.658SS**  cis-157.1137.4-4-134.1-44.9000110.8
112N29.8Very low32.3Very low122 Ų122129.3 Ų129.365%0.65266%0.661SS**  trans65.7123.7151.6-72.81.5000123.3
113K30.2Very low32.8Very low185 Ų185129.3 Ų129.380%0.80466%0.661SS**  trans74.9145.2135.4-75.7-163.4172.1-166.40117.5
114T30.7Very low32.8Very low101 Ų101130.1 Ų130.162%0.6267%0.67SS**  cis158.8137.8-9-100.20000103
115D29.6Very low32.7Very low139 Ų139131.6 Ų131.674%0.74368%0.679SS**  cis-151.4163.5-19-89.4-47.3000107.3
116Q36.1Very low32.2Very low174 Ų174132.2 Ų132.281%0.81368%0.681SS**  trans-82.1167.4162-68.1-177.3-6.600110.1
117T30.8Very low32.2Very low145 Ų145135.9 Ų135.989%0.8969%0.686SS**  trans-144.7127.4149.4-41.30000110.7
118Q35.3Very low32.2Very low120 Ų120137.6 Ų137.656%0.56169%0.688SS**  trans-130.5-174.1168-170.8169.4-4.200106.5
119E33.1Very low32.4Very low105 Ų105139.3 Ų139.349%0.49169%0.693SS.*  trans82159.3174.7-49.5-173.9155.900116P147 E148E119-P147 HydrophobicContact CB-CB 4.12Å; E119-P147 HydrophobicContact CG-CB 3.82Å; E119-P147 WeakPolarHBondContact OE1-CA 3.08Å; E119-P147 VanDerWaalsContact OE1-CB 3.23Å; E119-P147 WeakPolarHBondContact OE1-CB 3.24Å; E119-P147 WeakPolarHBondContact OE2-CB 3.38Å; E119-E148 PolarHBondContact OE1-N 3.38Å
120T33.9Very low32.4Very low58 Ų58141.1 Ų141.136%0.35670%0.701SS.*  167.1149-53.8-80.20000108.5Q146 P147T120-Q146 WeakPolarHBondContact CB-O 3.16Å; T120-Q146 WeakPolarHBondContact CG2-O 3.21Å; T120-Q146 PolarHBondContact OG1-O 2.84Å; T120-P147 HydrophobicContact CG2-CG 4.28Å
121Q33Very low33.4Very low120 Ų120137.5 Ų137.556%0.56170%0.702SS**  trans90.2148.1154.1-105.9-177.373.400123.3
122K29.8Very low34Very low173 Ų173137 Ų13775%0.75271%0.71SS**  trans86.9155.8147.8-94.3168.6-179.3141.40118.8
123P45.9Very low34.2Very low106 Ų106138.9 Ų138.969%0.68872%0.715SS**  -139.3-163.8-106.344.7-26.4000116.3
124N30.1Very low34.5Very low146 Ų146138.4 Ų138.478%0.78171%0.713SS**  trans105140.9151.4-94.5-25.6000121.8
125Q32.2Very low34.6Very low167 Ų167144.8 Ų144.878%0.7873%0.725SS**  trans80.7120.3151.1-76.3-163.836.900124.8
126T33.8Very low35.1Very low107 Ų107143.4 Ų143.466%0.65672%0.724SS**  79.698.5123.6-500000122.9
127Q30.8Very low34.8Very low182 Ų182141 Ų14185%0.8572%0.716SS**  trans49.8125.4134.7-63.3-168.12.300124.5
128S29.2Very low34.8Very low100 Ų100138.9 Ų138.970%0.69970%0.695SS**  74.9104.8128-162.40000122
129K34.7Very low35.1Very low204 Ų204138.5 Ų138.589%0.88769%0.693SS**  -175.3154.8110.5-97.7162.1-175.5174.60113.2
130K31.4Very low35.7Very low198 Ų198136.9 Ų136.986%0.86169%0.691SS**  trans-93.2174.3164.8-79.1-178.1177178.50109.3
131P50.2Low35.3Very low116 Ų116136.9 Ų136.975%0.75369%0.694SS**  cis-122-147.3-42.238.5-19.3000107.6
132P44.6Very low35.4Very low109 Ų109138.2 Ų138.271%0.70870%0.7SS**  cis-136.9-177.9-11.243.3-25.6000117
133Q33.4Very low35.9Very low161 Ų161136 Ų13675%0.75270%0.7SS**  trans80.4143.1150.9-86.5-161.32400122.5
134K35.1Very low35.8Very low175 Ų175136.6 Ų136.676%0.76171%0.705SS**  trans70.8106.6157.8-72170.4-178.2171.50119.4
135R33.8Very low36.1Very low236 Ų236132 Ų13289%0.89169%0.687SS**  48145.6124.1-70.9-173.6175.9-176.8-1.3120
136P40Very low36.4Very low109 Ų109130.8 Ų130.871%0.70868%0.681SS**  cis-132-179-36.838.4-22.5000111.2
137L29.2Very low36.9Very low124 Ų124127.7 Ų127.765%0.64966%0.663SS**  trans39123.1155.8-102.458.2000119.3
138K31.1Very low36.9Very low101 Ų101126.5 Ų126.544%0.43966%0.657SS.*  trans77.688.3135.5-74174.1-175.6171.50120W307 P309K138-W307 WeakPolarHBondContact CD-O 3.36Å; K138-P309 CarbonylContact C-O 3.51Å; K138-P309 WeakPolarHBondContact CA-O 3.43Å; K138-P309 VanDerWaalsContact CB-C 3.47Å; K138-P309 WeakPolarHBondContact CB-O 3.27Å; K138-P309 VanDerWaalsContact CG-C 3.46Å; K138-P309 WeakPolarHBondContact CG-O 3.26Å
139Q42.6Very low37Very low111 Ų111130.6 Ų130.652%0.51967%0.665SS.*  -155.5-144.2104.9-143.5-173.1-23.200118.4P309 S310Q139-P309 WeakPolarHBondContact CA-O 3.34Å; Q139-P309 WeakPolarHBondContact CB-O 3.45Å; Q139-P309 VanDerWaalsContact CD-CG 3.44Å; Q139-P309 HydrophobicContact CG-CB 4.18Å; Q139-P309 HydrophobicContact CG-CG 3.78Å; Q139-P309 WeakPolarHBondContact CG-O 3.03Å; Q139-P309 PolarHBondContact N-O 3.05Å; Q139-S310 WeakPolarHBondContact CA-OG 3.45Å; Q139-S310 WeakPolarHBondContact O-CB 3.11Å; Q139-S310 PolarHBondContact O-OG 2.83Å
140P44.3Very low36.9Very low72 Ų72129.7 Ų129.747%0.46866%0.664SS.*  -112.5-177-107.918.22.6000117.5H142P140-H142 HydrophobicContact CB-CB 4.35Å
141S26.2Very low36.9Very low58 Ų58123.9 Ų123.941%0.40665%0.653SS.*  trans166.790135.539.50000113.6P312 N313S141-P312 WeakPolarHBondContact O-CG 3.47Å; S141-N313 PolarHBondContact O-ND2 3.45Å
142H35.3Very low36.1Very low148 Ų148127.4 Ų127.469%0.68566%0.66SS**  cis64.5130.136.6-119.9-65.6000115P140P140-H142 HydrophobicContact CB-CB 4.35Å
143T40.6Very low36.3Very low125 Ų125127.6 Ų127.677%0.76766%0.661SS**  trans68.3170.6157.925.90000117.4
144P44Very low36.8Very low120 Ų120125.1 Ų125.178%0.77966%0.659SS**  cis-128.8-165.917.142.4-23.8000116.8
145A35.2Very low36.7Very low49 Ų49125.3 Ų125.341%0.40566%0.663SS.*  trans-107.6-171.3-169.800000115
146Q38.9Very low36.6Very low142 Ų142116.9 Ų116.966%0.66464%0.643SS**  trans-60.8166.7177.6-65.8178.1-98.400114.5T120T120-Q146 WeakPolarHBondContact CB-O 3.16Å; T120-Q146 WeakPolarHBondContact CG2-O 3.21Å; T120-Q146 PolarHBondContact OG1-O 2.84Å
147P43.9Very low36.1Very low41 Ų41119 Ų11927%0.26664%0.642SS.*  -139.7166.5108.440.7-29.4000117.5E119 T120E119-P147 HydrophobicContact CB-CB 4.12Å; E119-P147 HydrophobicContact CG-CB 3.82Å; E119-P147 WeakPolarHBondContact OE1-CA 3.08Å; E119-P147 VanDerWaalsContact OE1-CB 3.23Å; E119-P147 WeakPolarHBondContact OE1-CB 3.24Å; E119-P147 WeakPolarHBondContact OE2-CB 3.38Å; T120-P147 HydrophobicContact CG2-CG 4.28Å
148E32.5Very low37Very low158 Ų158114.5 Ų114.574%0.73862%0.619SS**  trans56.5105.1154.6-69.7179.1132.600123.2E119E119-E148 PolarHBondContact OE1-N 3.38Å
149E30.9Very low37.7Very low185 Ų185113.5 Ų113.586%0.86462%0.624SS**  14.1131.3118.1-177.3167.6-171.200122.5
150E31.3Very low37.3Very low185 Ų185116.9 Ų116.986%0.86464%0.637SS**  -160.6170.8124.2-133.9-157.6141.900113.5
151A32.8Very low36.5Very low77 Ų77116.4 Ų116.464%0.63665%0.645SS**  trans75.464.9155.400000122.4
152Q31.6Very low36.8Very low189 Ų189122 Ų12288%0.88367%0.671SS**  77.4145.8126.7-68.3-176.8-3.400124.4
153P49.4Very low36.5Very low114 Ų114118.1 Ų118.174%0.7467%0.67SS**  trans-97.9-150.6168.246-39.2000109.7
154P45Very low36Very low108 Ų108119.9 Ų119.970%0.70167%0.674SS**  cis-122.8164.8-14.138.3-20.5000113.6
155Q31.5Very low35.4Very low180 Ų180122.7 Ų122.784%0.84167%0.674SS**  -169.5169.473.9-87.3-168.9-3.700109.8
156A32.2Very low35.1Very low58 Ų58127.2 Ų127.248%0.47969%0.691SS.*  cis155.6142.7-2300000108.3
157F29.7Very low34.7Very low155 Ų155131.5 Ų131.568%0.6870%0.703SS**  cis-171.9-139.8-11.3-153.21.3000110.3Q103 K104Q103-F157 WeakPolarHBondContact CA-O 3.37Å; K104-F157 HydrophobicContact CB-CD1 4.25Å; K104-F157 PolarHBondContact N-O 3.32Å; K104-F157 CarbonylContact O-C 2.93Å; K104-F157 WeakPolarHBondContact O-CB 3Å
158P48.4Very low34.1Very low28 Ų28137.9 Ų137.918%0.18273%0.729CS.*  trans-23.6-151.7175.8-1.5-0.2000132.7Q103 K104 P105Q103-P158 CarbonylContact C-O 2.99Å; Q103-P158 WeakPolarHBondContact CA-O 3.47Å; Q103-P158 PolarHBondContact N-O 2.84Å; Q103-P158 VanDerWaalsContact N-O 3.09Å; K104-P158 HydrophobicContact CB-CB 2.3Å; K104-P158 HydrophobicContact CB-CG 2.31Å; K104-P158 HydrophobicContact CD-CB 4.3Å; K104-P158 HydrophobicContact CG-CB 2.78Å; K104-P158 HydrophobicContact CG-CG 3.42Å; K104-P158 VanDerWaalsContact CG-CG 3.42Å; K104-P158 PolarHBondContact N-O 3.45Å; K104-P158 WeakPolarHBondContact O-CD 3.47Å; P105-P158 VanDerWaalsContact N-CD 3.32Å
159P46Very low34.7Very low81 Ų81135.7 Ų135.753%0.52673%0.729SS.*  cis-128.1149.4-18.39.517.2000121.8Q103Q103-P159 VanDerWaalsContact C-CD 3.45Å; Q103-P159 WeakPolarHBondContact O-CD 3.46Å; Q103-P159 WeakPolarHBondContact O-CG 3.35Å
160F33.7Very low35.5Very low181 Ų181132.3 Ų132.379%0.79472%0.722SS**  trans42.3140.9133.2-62.4-57.1000127.3
161G28.1Very low36.2Very low63 Ų63128.6 Ų128.665%0.64971%0.714SS**  trans109.9136.616000000113.8
162N32.2Very low36Very low176 Ų176135.9 Ų135.994%0.94173%0.726SS**  cis-160.4170.6-7.2-82-48.9000108
163G29.4Very low35.9Very low65 Ų65134.5 Ų134.567%0.6772%0.719SS**  cis166163.2-6.400000112.8
164L29.7Very low35.1Very low162 Ų162135.4 Ų135.485%0.84872%0.717SS**  trans58.4102.1161.1-57.7175.7000122.2
165F30.5Very low34.9Very low180 Ų180135.3 Ų135.379%0.78972%0.716SS**  trans36.7131.8132.4-64.5-70.7000125.9
166L29.6Very low34.9Very low144 Ų144133.5 Ų133.575%0.75471%0.707SS**  trans49.1125.3131.5-64.9163.9000122.1
167Y29.8Very low35Very low231 Ų231140.4 Ų140.491%0.90672%0.721SS**  179.8162.8116.8-105.5-74.9000113.7
168Q32.3Very low35Very low175 Ų175140.6 Ų140.682%0.81873%0.728SS**  trans-139.5173.8165.7-76.1-172.4-14.400107.3
169P45.5Very low34.6Very low113 Ų113144.9 Ų144.973%0.73476%0.756SS**  cis-117.8-114.2-7.331.9-7.6000109.2
170P47.2Very low35.1Very low113 Ų113146.3 Ų146.373%0.73477%0.765SS**  cis-114.9-96.3-32.520.44.3000119.6
171P46.1Very low35.6Very low107 Ų107143 Ų14370%0.69576%0.762SS**  trans-131.8176.4-130.542.5-23.3000119.8
172W29Very low35.7Very low230 Ų230142.7 Ų142.787%0.87176%0.759SS**  trans-32.3153.9172.4-63.284.1000120.9
173Q28.9Very low35.5Very low160 Ų160145.5 Ų145.575%0.74876%0.758SS**  171.6117.5109.8-81.9-91.20.700113.4
174I32.4Very low35.6Very low134 Ų134145.9 Ų145.969%0.68776%0.762SS**  45.4150.2127.8-62-169.7000120.5
175P41.8Very low35.7Very low105 Ų105150 Ų15068%0.68277%0.766SS**  cis-137.8173.83.428.1-3.9000118.8
176Q30.5Very low36.8Very low143 Ų143146.3 Ų146.367%0.66876%0.76SS**  135.1136.1127.7-75.4-142.828.800118.9
177R33.5Very low37.4Very low203 Ų203145 Ų14577%0.76676%0.761SS**  trans62.6112.5160.8-63.4169.5-166.2-148.2-2.7117.3
178L30.4Very low37.4Very low159 Ų159138.6 Ų138.683%0.83276%0.755SS**  80.9139.558.5-69.5167.9000113.6
179P41Very low37.2Very low117 Ų117135.1 Ų135.176%0.7675%0.75SS**  -131.8-128-127.142.6-20.6000114.9
180P55.5Low36.7Very low112 Ų112135.3 Ų135.373%0.72775%0.745SS**  trans-98.1-168.3-150.149.4-37000112.3
181P44.3Very low36.3Very low110 Ų110137.8 Ų137.871%0.71475%0.747SS**  -134.4-167.361.435.9-14.4000111.7Y183P181-Y183 HydrophobicContact CB-CD2 4.29Å
182G30.1Very low35.8Very low57 Ų57141.7 Ų141.759%0.58876%0.756SS**  cis1031475.100000113.9
183Y28Very low36Very low235 Ų235134.7 Ų134.792%0.92276%0.756SS**  trans70.6154.5179.4-49.1-81.1000115.9P181P181-Y183 HydrophobicContact CB-CD2 4.29Å
184G31.8Very low36.1Very low74 Ų74130.9 Ų130.976%0.76376%0.759SS**  cis-160.4-1771.400000113.1
185R31.2Very low36Very low248 Ų248131.4 Ų131.494%0.93676%0.763SS**  trans-114-171.6-176.3-126.4-155.5178.1-148.11.9111.8
186P54.9Low36Very low102 Ų102131.7 Ų131.766%0.66277%0.765SS**  trans-84.9-179.2-147.843.3-41.8000114.1
187P41.1Very low36Very low117 Ų117135.2 Ų135.276%0.7677%0.774SS**  -153.5176.49841.1-24.1000116.9
188A30.7Very low35.9Very low96 Ų96135.5 Ų135.579%0.79378%0.781SS**  trans65.3149.2161.800000117.9
189S28.1Very low35.9Very low102 Ų102131.2 Ų131.271%0.71378%0.775SS**  cis-161.9-161.9-14.647.40000107.4
190N33.3Very low35.3Very low117 Ų117135.6 Ų135.663%0.62678%0.778SS**  cis-158.7174.12.825.2-70000109.3
191E38.9Very low34.2Very low165 Ų165137.9 Ų137.977%0.77178%0.777SS**  trans73.4113.7158.3-78.6154.6-10600122.4
192E35.6Very low33.6Very low189 Ų189133.6 Ų133.688%0.88375%0.752SS**  trans0.7139.6139.2-107.369.6-171.400121.9
193G33.8Very low33.7Very low84 Ų84136.2 Ų136.287%0.86675%0.745SS**  trans111.6111.7137.900000117.4
194G32Very low33.9Very low79 Ų79130.7 Ų130.781%0.81473%0.728SS**  trans172.287.9174.800000115.5
195N30.1Very low33.9Very low146 Ų146130.3 Ų130.378%0.78172%0.723SS**  trans-38.9134.4178-161.930000116.6
196P40.5Very low34.1Very low111 Ų111128.8 Ų128.872%0.72172%0.724SS**  trans-88.7135177.334-33.1000113.5
197Y30.2Very low33Very low217 Ų217127.7 Ų127.785%0.85173%0.731SS**  trans-142.6154.9162.5-111-90.2000111.7
198F33Very low32.5Very low209 Ų209125.9 Ų125.992%0.91773%0.734SS**  trans-66.3155.4-178.8-81.5-123.5000112.4
199G30.1Very low32.7Very low68 Ų68132.8 Ų132.870%0.70174%0.739SS**  trans-166.3-34176.900000120.2
200Y28Very low33.5Very low209 Ų209133.5 Ų133.582%0.8274%0.742SS**  trans45.8100.1172-120.1-106.7000118.3
201F32.3Very low34.3Very low161 Ų161132.1 Ų132.171%0.70674%0.739SS**  trans65.4160175.5-67.6-114.4000114.1F999F201-F999 VanDerWaalsContact C-CE1 3.4Å; F201-F999 VanDerWaalsContact C-CZ 3.41Å; F201-F999 HydrophobicContact CB-CD1 4.43Å; F201-F999 HydrophobicContact CB-CE1 3.78Å; F201-F999 HydrophobicContact CB-CZ 4.37Å; F201-F999 WeakPolarHBondContact O-CE1 3.3Å; F201-F999 WeakPolarHBondContact O-CE2 3.12Å; F201-F999 WeakPolarHBondContact O-CZ 3.46Å
202G32.5Very low33.7Very low20 Ų20133.1 Ų133.121%0.20674%0.737CS.*  cis176.9119.9-19.100000115.2F999 E1000G202-F999 CarbonylContact O-C 3.27Å; G202-F999 WeakPolarHBondContact O-CA 3.44Å; G202-F999 VanDerWaalsContact O-CB 3.28Å; G202-F999 WeakPolarHBondContact O-CB 3.23Å; G202-E1000 PolarHBondContact O-N 2.9Å
203Y31.1Very low33.5Very low111 Ų111133.3 Ų133.344%0.43573%0.731SS.*  trans90-155.6167.5-54.2-63.5000119.9D1001 N1002Y203-D1001 VanDerWaalsContact CB-CA 3.4Å; Y203-D1001 WeakPolarHBondContact CD2-OD1 3.22Å; Y203-D1001 WeakPolarHBondContact CE2-OD1 3.2Å; Y203-N1002 VanDerWaalsContact CD1-N 3.34Å; Y203-N1002 PolarHBondContact OH-OD1 2.86Å; Y203-N1002 VanDerWaalsContact OH-OD1 3.05Å
204H33.5Very low33.5Very low120 Ų120133.9 Ų133.956%0.55672%0.722SS**  -107.1167.3-128.5-63.5-12.2000118.3E1000 D1001 N1002H204-E1000 CarbonylContact C-O 2.9Å; H204-E1000 WeakPolarHBondContact CA-O 2.95Å; H204-E1000 WeakPolarHBondContact CB-O 3.41Å; H204-E1000 PolarHBondContact N-O 2.94Å; H204-D1001 PolarHBondContact CD2-O 3.43Å; H204-D1001 PolarHBondContact NE2-O 2.99Å; H204-D1001 VanDerWaalsContact NE2-O 3.11Å; H204-N1002 VanDerWaalsContact NE2-CA 3.34Å; H204-N1002 WeakPolarHBondContact NE2-CA 3.29Å; H204-N1002 PolarHBondContact NE2-N 2.88Å; H204-N1002 PolarHBondContact NE2-O 3.3Å
205G31.4Very low33.9Very low65 Ų65139.2 Ų139.267%0.6773%0.725SS**  14992.4122.500000119.4
206F35.1Very low34.3Very low216 Ų216139.8 Ų139.895%0.94772%0.723SS**  trans49.299156.9-72.1-88.7000118.8
207G31.8Very low34Very low79 Ų79141.1 Ų141.181%0.81472%0.721SS**  trans-72166.3164.900000113.9
208G31.2Very low34.5Very low79 Ų79139.3 Ų139.381%0.81472%0.718SS**  trans148.861.3175.600000116.8
209R33.4Very low34.9Very low242 Ų242137.8 Ų137.891%0.91371%0.714SS**  trans-62.1158.9149-70.2-175179.4-1302.8108.3
210P45.9Very low35.2Very low117 Ų117144 Ų14476%0.7673%0.725SS**  cis-149-143.134.238.4-13.1000112.5
211P49.7Very low35.7Very low87 Ų87140.2 Ų140.257%0.56572%0.719SS**  -109.2-174.3-51.613.210.4000110.6
212Y27.3Very low36Very low187 Ų187141 Ų14173%0.73372%0.722SS**  178.815868.1-104.8-58000113.2
213Y30.5Very low36.3Very low193 Ų193149.5 Ų149.576%0.75776%0.756SS**  trans41.7114165.4-68.9-81.9000118.1
214S34Very low36.6Very low96 Ų96153.2 Ų153.267%0.67178%0.775SS**  cis76.395.930.493.50000116.2
215E41.3Very low37.2Very low190 Ų190153.2 Ų153.289%0.88879%0.786SS**  trans-170.2140.6154.8-103.4168.5-133.900105
216E37Very low37.6Very low158 Ų158158.8 Ų158.874%0.73879%0.791SS**  cis-174171.7-29.5-148.8180-162.900104.9
217M35.6Very low37.7Very low139 Ų139157.7 Ų157.769%0.68579%0.789SS**  trans70.8106.1153-75.8-169.6-76.300122.9
218F39.5Very low38.4Very low180 Ų180161.9 Ų161.979%0.78979%0.787SS**  95.4146.1129.2-79.7-67000124
219E41Very low38.6Very low176 Ų176165.7 Ų165.782%0.82279%0.789SS**  trans62.183.3162.8-70.7171.4-153.600118.9
220Q37.8Very low39.2Very low199 Ų199158.9 Ų158.993%0.9378%0.776SS**  trans-87.2123140.4-74.5-174.8-49.300108.5
221D37.6Very low39.1Very low129 Ų129159.5 Ų159.569%0.6978%0.781SS**  trans-148.9133.6170.5-139.116.6000111.5
222F38Very low38.4Very low179 Ų179165.4 Ų165.479%0.78580%0.797SS**  trans37.1111.3171.9-57.8-75.7000121.4
223E40.3Very low39Very low197 Ų197160.8 Ų160.892%0.92180%0.798SS**  trans-123.9141.2136.3-165.6160.8-134.800109.6
224K36.3Very low39Very low190 Ų190161.1 Ų161.183%0.82681%0.806SS**PPolyproline II helixtrans-89.8158.3-172.9-105.7-169.4173.8-177.70112.2
225P47Very low38.9Very low120 Ų120161.8 Ų161.878%0.77981%0.811SS**PPolyproline II helixtrans-75.1162.2-167.531.9-36.9000113.7
226K38.7Very low38.9Very low182 Ų182158.3 Ų158.379%0.79181%0.805SS**PPolyproline II helixtrans-62.1152.6171.7-68.7-178.7174.9-176.80112.7
227E38.1Very low38.5Very low193 Ų193154.1 Ų154.190%0.90280%0.804SS**PPolyproline II helixtrans-100120.3167-177.4173-166.200108.4
228E45.3Very low38.3Very low166 Ų166154.7 Ų154.778%0.77682%0.815SS**  trans-131.6123.5169.6-75.8-177.7-171.700108.1
229D35.3Very low37.9Very low160 Ų160154.2 Ų154.286%0.85682%0.815SS**PPolyproline II helixtrans-92.1146.9-176.7-154.439.4000110.2
230P46.6Very low38.2Very low98 Ų98149.9 Ų149.964%0.63680%0.803SS**PPolyproline II helixtrans-88.8156.1-152.834-36.3000115.2
231P44.7Very low37.8Very low131 Ų131144.4 Ų144.485%0.85178%0.783SS**PPolyproline II helixtrans-68.6139.4174.230-35.2000111.4
232K35.6Very low37.4Very low210 Ų210140 Ų14091%0.91376%0.764SS**  trans-108.8133.3176.4-156.9169.3-173.7175.60111.1
233A38.5Very low37Very low91 Ų91137.6 Ų137.675%0.75276%0.76SS**  trans-55.6152.6-168.300000116.1
234E30.3Very low36.7Very low200 Ų200133.5 Ų133.594%0.93575%0.753SS**  trans-151.9156.7131.4-125.8165.7-145.200113.9
235S32.8Very low36.5Very low110 Ų110130.5 Ų130.577%0.76975%0.751SS**  trans-174.3147.2-177.6-178.70000105.5
236P41.2Very low35.8Very low117 Ų117131 Ų13176%0.7675%0.752SS**  cis-138.7164.622.941.6-24.3000117.4
237G28.5Very low35.4Very low69 Ų69128.7 Ų128.771%0.71175%0.753SS**  75.7159.2124.400000122.8
238T31.2Very low34.9Very low151 Ų151127.8 Ų127.893%0.92675%0.748SS**  trans96131.7170.3-31.70000117
239E32Very low34.2Very low170 Ų170125.3 Ų125.379%0.79475%0.745SS**  trans-91.4-168.7-177.6-50169.4117.900111.4
240P46.5Very low33.9Very low85 Ų85125.4 Ų125.455%0.55275%0.745SS**  -126.4-168.1-5231.3-13.2000111.7L906P240-L906 HydrophobicContact CB-CD1 3.4Å
241T28.6Very low33.1Very low84 Ų84125.5 Ų125.552%0.51575%0.748SS.*BIsolated β-bridgetrans159.2159.2137.6-73.10000116.3T903 S904T241-T903 WeakPolarHBondContact O-CG2 3.49Å; T241-S904 CarbonylContact O-C 3.42Å; T241-S904 WeakPolarHBondContact O-CA 3.31Å; T241-S904 PolarHBondContact O-N 2.82Å
242A30.4Very low32.4Very low36 Ų36125 Ų12530%0.29874%0.743SS.*  trans47.190.715400000128.9T903A242-T903 VanDerWaalsContact C-C 3.49Å; A242-T903 CarbonylContact C-O 3.55Å; A242-T903 HydrophobicContact CB-CG2 4.28Å; A242-T903 CarbonylContact O-C 3.01Å; A242-T903 VanDerWaalsContact O-CA 3.23Å; A242-T903 WeakPolarHBondContact O-CA 3.12Å; A242-T903 WeakPolarHBondContact O-CB 3.46Å; A242-T903 PolarHBondContact O-N 3.31Å
243N29.7Very low32Very low130 Ų130123.6 Ų123.670%0.69574%0.74SS**  trans67.8105.8144.7-42.7-40.1000123.6T903N243-T903 CarbonylContact C-O 3.56Å; N243-T903 VanDerWaalsContact O-O 3.05Å
244S32.5Very low31.3Very low111 Ų111124.5 Ų124.578%0.77674%0.74SS**  trans-131.2141.5150.2-175.60000111.2
245T33.8Very low31.4Very low127 Ų127121.8 Ų121.878%0.77973%0.732SS**  trans-106.9107.1-160.647.20000115.7
246V32.2Very low31.6Very low131 Ų131122 Ų12279%0.79473%0.731SS**  trans26.1115.2136.4-173.20000119.4
247T28.6Very low30.9Very low133 Ų133126.8 Ų126.882%0.81674%0.74SS**  -172.6144.7126.113.60000108.1
248E28.9Very low30.8Very low173 Ų173126.9 Ų126.981%0.80874%0.741SS**  cis-134.5160.213.7-61.8-175107.700114.4
249T31.1Very low30.7Very low115 Ų115124.8 Ų124.871%0.70673%0.732SS**  trans21.6111.7157.650.70000122.6
250N28.4Very low30.5Very low162 Ų162126 Ų12687%0.86674%0.738SS**  -170.982.5117.5-96.8-36.3000109
251S28.8Very low29.8Very low99 Ų99125.5 Ų125.569%0.69275%0.749SS**  73.399.181-163.30000115.1
252T29.8Very low29.7Very low120 Ų120124.9 Ų124.974%0.73676%0.759SS**  trans60.3100.2142.8-33.40000119.7
253Q29.1Very low29.5Very low182 Ų182130.1 Ų130.185%0.8578%0.782SS**  trans-66.6127.9158.7171.2-173.9-15.900111.5
254S23.5Very low29.4Very low110 Ų110130.9 Ų130.977%0.76979%0.786SS**  trans-142.5111.1164.563.60000113.4
255N30.9Very low29.4Very low142 Ų142131.3 Ų131.376%0.75978%0.784SS**  trans-90.2169.2152.1-91.4-44.2000108.4
256P37.1Very low29.4Very low116 Ų116128.7 Ų128.775%0.75377%0.771SS**  cis-127.8178.6-0.536.8-19.5000114.4G258P256-G258 PolarHBondContact O-N 3.43Å
257K27.1Very low29.5Very low217 Ų217126.3 Ų126.394%0.94376%0.758SS**  trans-69.2113.3166.6-177.2178.6-176.8176.90110.6
258G26.8Very low29.5Very low70 Ų70124.9 Ų124.972%0.72275%0.749SS**  trans-166.972.8-176.400000115P256P256-G258 PolarHBondContact O-N 3.43Å
259S28.4Very low29.5Very low107 Ų107118 Ų11875%0.74873%0.725SS**  trans-68159.3163.356.10000110.6
260Q29.2Very low29.3Very low195 Ų195119.7 Ų119.791%0.91173%0.73SS**  cis-162160.718.9-148.1164.5-200110.2
261G30.1Very low29.3Very low76 Ų76116.5 Ų116.578%0.78472%0.721SS**  trans104.7127.8177.900000111.8
262G27.3Very low29.4Very low71 Ų71115.4 Ų115.473%0.73271%0.706SS**  cis115.9132.310.800000109.8
263N25.2Very low29.7Very low145 Ų145114.3 Ų114.378%0.77570%0.701SS**  trans-70.6165.2-169.4-60-6.8000113.4
264D28Very low29.6Very low147 Ų147107 Ų10779%0.78667%0.674SS**  trans69.1151166.9-42.7-48.5000113
265T34Very low30.1Very low120 Ų120105.7 Ų105.774%0.73666%0.663SS**  cis-139.9152.727.753.10000109.8
266S32.1Very low30.3Very low72 Ų72103.5 Ų103.550%0.50365%0.651SS.*  cis62.3156.246104.20000113.5D487S266-D487 VanDerWaalsContact CA-OD1 3.31Å; S266-D487 WeakPolarHBondContact CA-OD1 3.44Å
267P35.9Very low29.9Very low80 Ų80103.9 Ų103.952%0.51965%0.652SS.*  cis-135-163.2-2.637-16.4000113.2D487 Q488P267-D487 VanDerWaalsContact C-CA 3.5Å; P267-D487 WeakPolarHBondContact O-CA 3.1Å; P267-Q488 PolarHBondContact O-N 3.3Å
268T28.2Very low29.9Very low103 Ų10395.8 Ų95.863%0.63263%0.63SS**  trans131.595.2134.7-510000115.5V486T268-V486 CarbonylContact C-O 3.47Å; T268-V486 VanDerWaalsContact C-O 3.27Å
269G27.7Very low29.8Very low30 Ų3099.2 Ų99.231%0.30963%0.632SS.*  trans-174.542.1172.100000115.1S271 N484 S485 V486G269-S271 PolarHBondContact O-N 3Å; G269-N484 CarbonylContact O-C 3.03Å; G269-S485 CarbonylContact C-O 3.16Å; G269-S485 WeakPolarHBondContact CA-O 3.23Å; G269-S485 PolarHBondContact N-O 2.68Å; G269-S485 PolarHBondContact O-N 3.46Å; G269-S485 VanDerWaalsContact O-O 3.06Å; G269-V486 PolarHBondContact N-O 3.15Å
270N28Very low29.8Very low149 Ų149101.1 Ų101.180%0.79763%0.633SS**  trans-60.499.3175.9-75.2-13.9000111.5N484N270-N484 CarbonylContact C-O 3.42Å; N270-N484 VanDerWaalsContact CA-O 3.29Å; N270-N484 WeakPolarHBondContact CA-O 3.5Å
271S27.1Very low30.8Very low96 Ų9696.8 Ų96.867%0.67162%0.623SS**  trans-170.6111167.1-86.30000116G269 N484G269-S271 PolarHBondContact O-N 3Å; S271-N484 PolarHBondContact N-O 3.49Å
272I30.9Very low31Very low76 Ų7699.2 Ų99.239%0.3962%0.624SS.*  trans-43.5146.5136.8-31.7155.9000110.2P481 N482I272-P481 HydrophobicContact CD1-CB 3.92Å; I272-P481 HydrophobicContact CD1-CG 4.14Å; I272-N482 HydrophobicContact CD1-CB 3.64Å; I272-N482 HydrophobicContact CG1-CB 3.71Å; I272-N482 WeakPolarHBondContact CG2-ND2 3Å
273P36.8Very low31Very low96 Ų9699 Ų9962%0.62362%0.615SS**  cis-116-1689.427.8-3.3000111.8
274G28.2Very low31.4Very low28 Ų28101.3 Ų101.329%0.28962%0.622SS.*  cis73.9147.93600000112.4
275P33.8Very low31.5Very low84 Ų84101.4 Ų101.455%0.54562%0.622SS.*  cis-124.8178.32.242.4-28.2000115.1P503P275-P503 WeakPolarHBondContact O-CB 3.47Å; P275-P503 VanDerWaalsContact O-CG 3.22Å; P275-P503 WeakPolarHBondContact O-CG 3.27Å
276N35.4Very low31.2Very low95 Ų9599 Ų9951%0.50862%0.621SS.*  trans-70.6138.4176.7-65.413.6000113.5N504N276-N504 PolarHBondContact OD1-ND2 2.76Å
277T28.5Very low31.1Very low124 Ų124103.1 Ų103.176%0.76164%0.636SS**  trans-178.7132147.7-74.40000111.6
278G27Very low30.9Very low47 Ų47104.5 Ų104.549%0.48564%0.642SS.*  trans120.785.2137.800000121.8
279N24.4Very low31.8Very low142 Ų142105.2 Ų105.276%0.75965%0.649SS**  43.9112.9126.6-55.2-25.8000122.4
280N27.4Very low31.8Very low147 Ų147110.8 Ų110.879%0.78667%0.671SS**  51163.7109.4-63.3-17.2000122.6
281P51.3Low32.4Very low105 Ų105109.1 Ų109.168%0.68267%0.668SS**  cis-130.1-165.4-36.943.3-25.7000110.7A283P281-A283 HydrophobicContact CB-CB 4.23Å; P281-A283 HydrophobicContact CG-CB 4.34Å
282P32.9Very low32.4Very low127 Ų127108.8 Ų108.883%0.82567%0.671SS**  -139.7150.167.536.5-18.3000114.5
283A28.5Very low32.7Very low65 Ų65111.1 Ų111.154%0.53769%0.689SS.*  cis92.670.123.300000117.5P281P281-A283 HydrophobicContact CB-CB 4.23Å; P281-A283 HydrophobicContact CG-CB 4.34Å
284Q33.3Very low32.4Very low195 Ų195113.2 Ų113.291%0.91170%0.695SS**  trans-139.8114.6149.2-66.5-171.1-7.400106.7
285N29.2Very low32.3Very low149 Ų149117.7 Ų117.780%0.79772%0.716SS**  cis69.5128.731-56.7-31.8000113.9
286G28.9Very low31.8Very low69 Ų69119.6 Ų119.671%0.71173%0.732SS**  cis-155.5-136.7-2.200000110.1
287I28.9Very low31.4Very low158 Ų158117.8 Ų117.881%0.8174%0.735SS**  cis-159.9125.610.6-75169.2000104.2
288V32.1Very low31.4Very low109 Ų109121.2 Ų121.266%0.66174%0.743SS**  72.4111.357.9179.20000114.6L290V288-L290 HydrophobicContact CG1-CD1 4.13Å; V288-L290 HydrophobicContact CG1-CG 3.95Å
289P47.2Very low31.3Very low119 Ų119122.3 Ų122.377%0.77375%0.754SS**  -126146.7104.33.418.4000112
290L28.9Very low31.5Very low147 Ų147119 Ų11977%0.7775%0.754SS**  cis79.214448.2-72.8165.6000114.3V288V288-L290 HydrophobicContact CG1-CD1 4.13Å; V288-L290 HydrophobicContact CG1-CG 3.95Å
291P40.5Very low31.8Very low114 Ų114118.4 Ų118.474%0.7476%0.758SS**  cis-140.2177.31.742.4-24.6000118.3
292A26.7Very low30.5Very low88 Ų88116.7 Ų116.773%0.72776%0.759SS**  trans93.6146.1139.900000123.6
293V37.7Very low30.3Very low126 Ų126116 Ų11676%0.76476%0.757SS**  trans66.791.7167-162.80000116.4
294N30.1Very low30.3Very low140 Ų140122 Ų12275%0.74977%0.774SS**  71132.258-60.9-7.3000114.3
295T25.6Very low30Very low121 Ų121120.3 Ų120.374%0.74277%0.77SS**  cis-164.3161.10.98.60000111.4
296S24.2Very low30.3Very low124 Ų124117.9 Ų117.987%0.86776%0.762SS**  trans68.6148.3163.874.30000118
297G25.8Very low30.1Very low57 Ų57123.9 Ų123.959%0.58876%0.763SS**  cis165.1161.3-6.900000113.1
298Q28.4Very low30Very low197 Ų197126.2 Ų126.292%0.92176%0.762SS**  trans64.8151.5179.8-61.6146.8-83.500113.1
299G25.3Very low30.3Very low69 Ų69122.6 Ų122.671%0.71174%0.741SS**  cis99.7134.818.100000109.9
300G28.8Very low29.2Very low73 Ų73119.9 Ų119.975%0.75373%0.725SS**  trans-59163.9173.100000111.8
301P33.2Very low29.7Very low134 Ų134121.1 Ų121.187%0.8773%0.727SS**  -149.7-171.670.542.2-25.7000114.6
302G25.2Very low29.7Very low70 Ų70119 Ų11972%0.72271%0.713SS**  trans119.798.6138.900000115.9
303S27.5Very low29.7Very low112 Ų112119.7 Ų119.778%0.78370%0.704SS**  trans-68.3135.115447.10000110.4
304Q28.8Very low29.1Very low191 Ų191120 Ų12089%0.89370%0.7SS**  trans-161.3101.8155-116.1149.790.500113.6
305I26.7Very low29Very low160 Ų160124.1 Ų124.182%0.82171%0.705SS**  trans-57.3139.7152.2-61.9159.9000106.6
306P35.9Very low29Very low97 Ų97125.4 Ų125.463%0.6370%0.703SS**  -150-16562.724.44.3000117.7
307W25.6Very low29.1Very low195 Ų195127 Ų12774%0.73970%0.702SS**  trans9173.7165-55102.4000119.8K138K138-W307 WeakPolarHBondContact CD-O 3.36Å
308R25.3Very low29.1Very low207 Ų207131.3 Ų131.378%0.78171%0.707SS**  trans-61-173.7135.9-135.9-160.3-150.9-151.410.4109.6
309P38.8Very low29.2Very low34 Ų34127.6 Ų127.622%0.22170%0.699CS.*  cis-121.3170-359.413.1000114K138 Q139K138-P309 CarbonylContact C-O 3.51Å; K138-P309 WeakPolarHBondContact CA-O 3.43Å; K138-P309 VanDerWaalsContact CB-C 3.47Å; K138-P309 WeakPolarHBondContact CB-O 3.27Å; K138-P309 VanDerWaalsContact CG-C 3.46Å; K138-P309 WeakPolarHBondContact CG-O 3.26Å; Q139-P309 WeakPolarHBondContact CA-O 3.34Å; Q139-P309 WeakPolarHBondContact CB-O 3.45Å; Q139-P309 VanDerWaalsContact CD-CG 3.44Å; Q139-P309 HydrophobicContact CG-CB 4.18Å; Q139-P309 HydrophobicContact CG-CG 3.78Å; Q139-P309 WeakPolarHBondContact CG-O 3.03Å; Q139-P309 PolarHBondContact N-O 3.05Å
310S23.7Very low29.3Very low62 Ų62130.3 Ų130.343%0.43470%0.698SS.*  trans165.6148.2136.353.70000118.4Q139Q139-S310 WeakPolarHBondContact CA-OG 3.45Å; Q139-S310 WeakPolarHBondContact O-CB 3.11Å; Q139-S310 PolarHBondContact O-OG 2.83Å
311Q39.7Very low29.7Very low172 Ų172132.1 Ų132.180%0.80470%0.696SS**  trans-114.5165.8135-76.6-175.7-9.200106.5
312P41.4Very low29.3Very low71 Ų71131.1 Ų131.146%0.46168%0.683SS.*  cis-142.3-146.944.933.6-4.9000111.6S141S141-P312 WeakPolarHBondContact O-CG 3.47Å
313N25.2Very low29.4Very low101 Ų101133.8 Ų133.854%0.5468%0.68SS.*  cis-169.115823.3-139.8-9.8000112.4S141S141-N313 PolarHBondContact O-ND2 3.45Å
314I26.6Very low29.3Very low133 Ų133139.2 Ų139.268%0.68268%0.683SS**  trans58120143.8-77.1164.9000117.5
315R27Very low29.2Very low226 Ų226137.3 Ų137.385%0.85368%0.679SS**  cis-144.1146.444-76.4-173.5172.9-158.7-7.8115.2
316E25.6Very low29.4Very low149 Ų149139.7 Ų139.770%0.69668%0.684SS**  trans-83.7158.5153.5-63.6161106.300111.1H318E316-H318 IonicContact OE1-CE1 3.9Å
317N27Very low29.2Very low157 Ų157139.3 Ų139.384%0.8468%0.682SS**  trans-164.684.1145.1-105.4-11.6000110.1
318H25.4Very low29.2Very low148 Ų148136 Ų13669%0.68569%0.688SS**  18.8144.6121.7-75.55.6000119.3E316E316-H318 IonicContact OE1-CE1 3.9Å
319P30.4Very low29.4Very low119 Ų119129.1 Ų129.177%0.77368%0.681SS**  -136.1151.556.339.8-25.1000118.3
320N28.3Very low28.8Very low126 Ų126137.8 Ų137.867%0.67471%0.71SS**  trans-73.1129.6150.5-16913000107.9N322N320-N322 PolarHBondContact OD1-N 2.91Å
321P37.5Very low28.8Very low110 Ų110144 Ų14471%0.71472%0.724SS**  -123138.6106.136.3-33.3000111.2
322N24.4Very low28.1Very low114 Ų114143.3 Ų143.361%0.6171%0.714SS**  cis74.8141.235.9-161.317.2000112.3N320N320-N322 PolarHBondContact OD1-N 2.91Å
323I25.9Very low27.4Very low125 Ų125147.6 Ų147.664%0.64172%0.722SS**  trans65.399.3172.7-70.3153.9000113.6
324R25.2Very low27.8Very low226 Ų226148.7 Ų148.785%0.85373%0.734SS**  66.892.876.1-178.8-153.4-152.3-168.410.1111.6
325N27.4Very low28Very low151 Ų151148.2 Ų148.281%0.80774%0.738SS**  trans-164.4106154.2-93.4-30.8000110.1P327N325-P327 WeakPolarHBondContact O-CD 3.28Å
326F31.4Very low28.1Very low210 Ų210140.4 Ų140.492%0.92173%0.728SS**  trans-70.7131.3149.9-88.1-83.5000107.6
327P32.3Very low28.3Very low90 Ų90140 Ų14058%0.58474%0.736SS**  -122.1137.3122.234.3-30.3000109.5N325 G329N325-P327 WeakPolarHBondContact O-CD 3.28Å; P327-G329 PolarHBondContact O-N 3.45Å
328S25.7Very low28.4Very low125 Ų125136.7 Ų136.787%0.87473%0.73SS**  4516.963.876.40000114.7
329G29.5Very low28.5Very low62 Ų62139 Ų13964%0.63974%0.743SS**  trans-101.1115.5-175.900000113.4P327P327-G329 PolarHBondContact O-N 3.45Å
330R25.1Very low28.4Very low216 Ų216136.9 Ų136.982%0.81574%0.743SS**  trans-74.7165-176.3-50.6174.4-177.8-139.90113.6
331R23.7Very low28.5Very low194 Ų194138.9 Ų138.973%0.73275%0.749SS**  trans85.6106143-85.1177.7177.2-178.3-1.3120.3
332W24.3Very low28Very low157 Ų157141 Ų14160%0.59574%0.742SS**  62.1103.1110.8-80.156.7000119.7
333Y28.1Very low28.3Very low161 Ų161142.4 Ų142.463%0.63175%0.745SS**  trans47.2119.5140.9-57.9-88.6000121.2T335Y333-T335 PolarHBondContact O-OG1 2.67Å
334P33.7Very low28.4Very low123 Ų123143 Ų14380%0.79975%0.749SS**  -63121119.230.8-30.2000108
335T29.2Very low28.6Very low123 Ų123135.6 Ų135.676%0.75574%0.744SS**  cis64.5120.426.4-47.40000111.9Y333Y333-T335 PolarHBondContact O-OG1 2.67Å
336G30.8Very low29.2Very low63 Ų63134.3 Ų134.365%0.64974%0.744SS**  cis-149.4-164.3-0.800000111.6
337T30.1Very low29Very low140 Ų140132.8 Ų132.886%0.85974%0.737SS**SBendcis-154.1160.116.542.50000110.3
338A27.7Very low28.9Very low87 Ų87138.8 Ų138.872%0.71975%0.75SS**  cis-174154.2-23.900000107.7
339M28Very low28.9Very low196 Ų196143 Ų14397%0.96675%0.746SS**  cis-125.7-98.8-1.3-66.6-177.2-86.300110.7
340G28.6Very low28.8Very low75 Ų75147 Ų14777%0.77375%0.753SS**  trans116.8-14.2151.900000120.8
341H29.8Very low28.9Very low169 Ų169147.1 Ų147.178%0.78275%0.753SS**  trans59.851.1163.9-137.4-61.3000121
342R27.6Very low29.1Very low155 Ų155144.1 Ų144.159%0.58575%0.748SS**  29.7117.8121.7-177.9-165.6171.7-174.1-2.8118.6
343Q30.1Very low29.3Very low143 Ų143143.9 Ų143.967%0.66876%0.763SS**  -175.3138.5117.2-101-174.762.500114.9
344N27.8Very low29.4Very low136 Ų136142.6 Ų142.673%0.72776%0.763SS**  trans50.4122.8149.6-44.4-13.6000122.1
345G30.6Very low29.1Very low72 Ų72147.7 Ų147.774%0.74277%0.766SS**  trans-110.5-162.1137.200000109.7
346P39.2Very low29Very low124 Ų124145 Ų14581%0.80576%0.764SS**  cis-122.8-170.1-8.141.4-26.6000113.6
347F28.2Very low29.2Very low178 Ų178148 Ų14878%0.78177%0.772SS**  trans-24.6159.6177-77.8-93.2000123.4
348Y29Very low29.1Very low215 Ų215150 Ų15084%0.84377%0.771SS**  trans68.877.8165.7-69.6-66.5000119N350Y348-N350 PolarHBondContact O-N 2.94Å
349R26.2Very low29Very low213 Ų213157.3 Ų157.380%0.80478%0.78SS**  trans-66.4119.4164-175.8-171.9-165.1-174.37.5111.8
350N27.3Very low28.9Very low146 Ų146154.2 Ų154.278%0.78177%0.768SS**  trans-84140.4165.5-157-22.9000110.2Y348Y348-N350 PolarHBondContact O-N 2.94Å
351R26.9Very low28.7Very low219 Ų219154 Ų15483%0.82675%0.754SS**  trans42.2118.9179.8-66.9-173.4177.8-136.5-0.9118.3
352Q27.4Very low28.6Very low132 Ų132153.7 Ų153.762%0.61775%0.751SS**  170.6130.3109.6-93.6-178.921.800111.4
353V29.3Very low28.7Very low151 Ų151151.4 Ų151.492%0.91577%0.766SS**  trans-126.898.8143.7179.70000106.8
354Q30Very low28.5Very low134 Ų134151.4 Ų151.463%0.62676%0.759SS**  trans-93.9133.7155.1-66.6-175.7-6.700107.4
355R26.7Very low28.4Very low230 Ų230154.7 Ų154.787%0.86877%0.771SS**  177.9151.1101.7-92.5169.3-175.2-171.3-0.6109.5
356G27.9Very low28.2Very low68 Ų68153.3 Ų153.370%0.70176%0.756SS**  trans-84.5-152.2165.800000111
357P35.2Very low27.6Very low126 Ų126153.9 Ų153.982%0.81875%0.746SS**  cis-144.697.614.837.1-14.3000114.7
358Q28.2Very low27.6Very low182 Ų182153.6 Ų153.685%0.8575%0.747SS**  trans-147.869.9174.5-151.7155-600115.2
359W25.1Very low27.4Very low239 Ų239149.7 Ų149.791%0.90575%0.745SS**  trans-117.487.2148.9-90.567.7000109.2
360N25.4Very low27.4Very low131 Ų131145.4 Ų145.470%0.70174%0.742SS**  trans-132124.9130-91.7-66.4000106.7
361S24.4Very low27.5Very low70 Ų70149 Ų14949%0.4975%0.745SS.*  trans-52.9177.5-174.1-43.70000115.6
362F28.3Very low27.6Very low163 Ų163144.3 Ų144.372%0.71574%0.743SS**  trans103.876.8146.8-56.9-41.8000120.3W364F362-W364 HydrophobicContact CB-CG 4.02Å; F362-W364 AromaticContact CD1-CD1 3.3Å; F362-W364 AromaticContact CD1-NE1 3.09Å; F362-W364 AromaticContact CD2-NE1 3.79Å; F362-W364 AromaticContact CE1-NE1 3.71Å; F362-W364 AromaticContact CG-CD1 3.43Å; F362-W364 VanDerWaalsContact CG-CD1 3.43Å; F362-W364 AromaticContact CG-NE1 3.13Å
363A29.1Very low27.6Very low108 Ų108141.2 Ų141.289%0.89375%0.747SS**  -106.8114.2122.400000105.9
364W27.4Very low27.9Very low142 Ų142141 Ų14154%0.53874%0.74SS.*  cis76.881.624-76.848.1000116.1F362 G366 K367F362-W364 HydrophobicContact CB-CG 4.02Å; F362-W364 AromaticContact CD1-CD1 3.3Å; F362-W364 AromaticContact CD1-NE1 3.09Å; F362-W364 AromaticContact CD2-NE1 3.79Å; F362-W364 AromaticContact CE1-NE1 3.71Å; F362-W364 AromaticContact CG-CD1 3.43Å; F362-W364 VanDerWaalsContact CG-CD1 3.43Å; F362-W364 AromaticContact CG-NE1 3.13Å; W364-G366 WeakPolarHBondContact CZ3-O 3.12Å; W364-K367 VanDerWaalsContact CE3-C 3.49Å; W364-K367 HydrophobicContact CZ3-CB 4.22Å; W364-K367 WeakPolarHBondContact CZ3-O 3.19Å
365E25.3Very low28Very low206 Ų206139.7 Ų139.796%0.96374%0.744SS**SBend-86.7123.5112.8-172.6158.1-128.700108
366G26.4Very low27.8Very low43 Ų43133 Ų13344%0.44373%0.728SS.*SBendcis-160165-400000113.9W364W364-G366 WeakPolarHBondContact CZ3-O 3.12Å
367K26.5Very low27.7Very low135 Ų135138.3 Ų138.359%0.58773%0.728SS**  trans8759.4-173.9-60-166179.9-178.70119.5W364 G813W364-K367 VanDerWaalsContact CE3-C 3.49Å; W364-K367 HydrophobicContact CZ3-CB 4.22Å; W364-K367 WeakPolarHBondContact CZ3-O 3.19Å; K367-G813 WeakPolarHBondContact CE-O 2.97Å; K367-G813 PolarHBondContact NZ-O 3Å
368Q27.8Very low27.4Very low172 Ų172140.1 Ų140.180%0.80473%0.725SS**  trans50.1121.2132.5-65.7178.8-4400121.4
369V25.3Very low27.2Very low133 Ų133139.4 Ų139.481%0.80672%0.72SS**  45114.1124.8-165.90000118.6
370V25.4Very low27.3Very low123 Ų123134.6 Ų134.675%0.74572%0.716SS**  -174.7122.5113.6150.60000109.8
371R29.9Very low27.2Very low221 Ų221138.3 Ų138.383%0.83472%0.722SS**  trans-107.4133.9142.3-83.6-173.9172.5-168.5-1.1105.5
372P29.8Very low27.1Very low122 Ų122142.2 Ų142.279%0.79274%0.736SS**  -137.9-162.995.942.4-33000111.5
373G26.3Very low26.8Very low67 Ų67138.4 Ų138.469%0.69173%0.73SS**  trans115.351.6160.800000116.8
374N35.9Very low26.6Very low145 Ų145139.1 Ų139.178%0.77572%0.723SS**  trans-98.3107.7146-179.59.4000108.5V376N374-V376 PolarHBondContact OD1-N 3.46Å
375P31.9Very low26.4Very low107 Ų107137.3 Ų137.370%0.69573%0.732SS**  trans-119.9124.714233.5-24.4000109.7
376V23.3Very low26.4Very low89 Ų89139.3 Ų139.354%0.53973%0.731SS.*  84.2114.552172.90000112.8N374N374-V376 PolarHBondContact OD1-N 3.46Å
377Y24.9Very low26.2Very low180 Ų180140.3 Ų140.371%0.70674%0.742SS**  trans68.5152.9178.3-52.1-42.9000115.8
378H28.2Very low26.2Very low164 Ų164141.2 Ų141.276%0.75975%0.753SS**  cis-108.91578.9-75.5-120.2000111.4
379K24.1Very low26.1Very low168 Ų168143.7 Ų143.773%0.7376%0.756SS**  52.5137.960.7-67.5-178.8178.3177.20110.8
380V27Very low27Very low138 Ų138141.9 Ų141.984%0.83675%0.747SS**  cis-138.5161.945173.90000111.9
381Y23.2Very low27Very low208 Ų208142.1 Ų142.182%0.81674%0.744SS**  trans-90.2170.9-179-115.5-98.8000112.3
382L22.6Very low27Very low152 Ų152141.6 Ų141.680%0.79674%0.744SS**  trans71.5157.5162.8-54.5137.3000115.6
383S22.4Very low26.8Very low84 Ų84140.7 Ų140.759%0.58775%0.746SS**  cis-171164.3-25.6-98.80000111.6
384T24.8Very low26.7Very low122 Ų122141.1 Ų141.175%0.74875%0.751SS**  trans56.6117.7143.652.90000121.8
385S22.7Very low26.5Very low104 Ų104141.6 Ų141.673%0.72775%0.754SS**  114.3146.911677.70000119.7
386R25.4Very low26.8Very low249 Ų249142.3 Ų142.394%0.9476%0.759SS**  trans64146.6166.2-65.2172.7167180-5.1116.5
387G23Very low26.9Very low64 Ų64141.9 Ų141.966%0.6676%0.764SS**  cis148.8124.6-11.500000113.7
388N26.3Very low27.2Very low154 Ų154140 Ų14082%0.82477%0.766SS**  trans66.4117.6165.7-55.5-12.2000119
389Y25.9Very low27.2Very low223 Ų223139.1 Ų139.188%0.87577%0.766SS**  29155.296.9-83.8-72.1000119.5
390P43.7Very low27.3Very low95 Ų95140.5 Ų140.562%0.61777%0.767SS**  cis-150.6-167.57.436.3-11.4000118.8
391N26.1Very low27.4Very low128 Ų128143.7 Ų143.768%0.68476%0.764SS**  trans99.9118131.3-83.8-1.9000125.6
392Y28.8Very low27.7Very low211 Ų211143.2 Ų143.283%0.82777%0.766SS**  106.1152.7117.5-94.3-130.8000125.8
393A26.3Very low28.7Very low102 Ų102141.3 Ų141.384%0.84376%0.763SS**  trans72.8144.4166.900000118.9
394G24.3Very low28.9Very low77 Ų77146.7 Ų146.779%0.79478%0.779SS**  cis-177.4168.6-4.400000112.5
395N32.3Very low29Very low154 Ų154143.9 Ų143.982%0.82477%0.774SS**  trans-148.4136.7-175-173.87.6000111
396P38.5Very low29.9Very low123 Ų123144.7 Ų144.780%0.79978%0.777SS**  -153.4174.2122.339.2-21.4000116.5
397A25.3Very low29.9Very low80 Ų80139.1 Ų139.166%0.66177%0.766SS**  trans-90.1170.2178.500000115.1
398N29.8Very low30.2Very low140 Ų140145.3 Ų145.375%0.74978%0.775SS**  172.2139.3119.7-95.8-66.4000117.7
399L28.9Very low30.3Very low145 Ų145145.9 Ų145.976%0.75977%0.772SS**  trans33.1136.4137.4-60.1165.7000122.8
400R27Very low31.6Very low197 Ų197140.7 Ų140.774%0.74377%0.766SS**  180139.396.8-97.6-179.4176.6-178.41.4117.2
401R27.8Very low30.8Very low205 Ų205145.6 Ų145.677%0.77478%0.783SS**  trans65.9114.5139-69.5176.8178.7-178.7-3.8122.7
402K30.3Very low30.8Very low198 Ų198142.1 Ų142.186%0.86178%0.777SS**  trans-69.1174133.1-75.6-171.8177.5-176.60110.2
403P42.7Very low30.7Very low113 Ų113138.6 Ų138.673%0.73478%0.778SS**  cis-134.7167.25.841.5-26000116.4
404Q27.2Very low30.7Very low197 Ų197140.9 Ų140.992%0.92178%0.776SS**  trans-164135.5143-118.9165.4-26.600114.5
405G27.9Very low30.9Very low63 Ų63144 Ų14465%0.64978%0.779SS**  trans-122.3-164.414200000107.2
406P40.2Very low30.9Very low121 Ų121140.9 Ų140.979%0.78678%0.775SS**  cis-135.5-136.610.643.3-23.7000111.6
407N26.7Very low30.8Very low131 Ų131140.4 Ų140.470%0.70177%0.772SS**  trans84.5129.7167.5-131.91.8000114.4
408K28.3Very low31Very low194 Ų194142.6 Ų142.684%0.84378%0.777SS**  cis-124.3163.218.9-65.2175.8-179.9179.30114.4
409H29.1Very low30.9Very low166 Ų166139.1 Ų139.177%0.76977%0.774SS**  trans-118.2-141.2-177.2-64.8-89.2000112.5
410P53.3Low31.4Very low114 Ų114137 Ų13774%0.7477%0.769SS**  -134.4177.4-112.743.4-24.2000116.2
411M27.1Very low31.5Very low199 Ų199136.6 Ų136.698%0.9877%0.773SS**  trans171161.7151.9-97.3164.1-174.800107.8
412G25.4Very low31.5Very low55 Ų55136.3 Ų136.357%0.56778%0.78SS**  cis170.5175-0.600000109.9
413T26.6Very low31.2Very low137 Ų137129.8 Ų129.884%0.8477%0.768SS**  trans63.4122.5-176.9160000114.6
414N26.2Very low31.2Very low150 Ų150129.9 Ų129.980%0.80277%0.769SS**  cis61.9111.444.1-64.3-30000114.8
415V28.8Very low31.2Very low141 Ų141126.1 Ų126.186%0.85576%0.759SS**  178.5116.1120.6151.30000108.9
416A31.6Very low31.2Very low90 Ų90129.5 Ų129.574%0.74477%0.767SS**  trans-97.9161.7148.100000106.3
417P35.9Very low30.8Very low112 Ų112130 Ų13073%0.72776%0.759SS**  -158.8-162.575.735.4-9.9000116
418V30.9Very low30.8Very low126 Ų126131.1 Ų131.176%0.76477%0.765SS**  trans70.5127.2160.3-1250000119.9
419G28.1Very low31.1Very low67 Ų67127.6 Ų127.669%0.69175%0.751SS**  trans-89.5-117.7143.100000108.6
420P38.9Very low31.2Very low102 Ų102126.9 Ų126.966%0.66275%0.746SS**  cis-134.5-177.8-24.942.5-27.9000112
421K27.9Very low30Very low188 Ų188127.9 Ų127.982%0.81774%0.744SS**  trans63.9123.6162.8-58.8172.8-178178.20117.6
422H29.2Very low30.1Very low198 Ų198126.9 Ų126.992%0.91774%0.737SS**  -140.4150.999.7-95.3-84.3000110.3
423G24.4Very low30.5Very low61 Ų61131.5 Ų131.563%0.62975%0.748SS**  trans-152.1-142.1161.900000104.8
424P42.8Very low31Very low116 Ų116130.2 Ų130.275%0.75374%0.742SS**  cis-134.8-153.7-32.729.3-5.9000110.5
425V27Very low31Very low117 Ų117132.4 Ų132.471%0.70974%0.739SS**  trans77.3142.5165.8-159.50000112.9H427V425-H427 HydrophobicContact CG1-CB 3.96Å
426V28Very low30.9Very low134 Ų134131.3 Ų131.381%0.81273%0.725SS**  cis-134.8144.334.1-166.80000110.9
427H31.1Very low30.8Very low131 Ų131135.4 Ų135.461%0.60673%0.726SS**  cis102.3879.1-169.5-77.6000118.3V425V425-H427 HydrophobicContact CG1-CB 3.96Å
428N27.2Very low30.3Very low155 Ų155137.3 Ų137.383%0.82973%0.725SS**  trans-137.3127153.5-85.4-35.3000107.4
429E33.5Very low30.3Very low120 Ų120139.6 Ų139.656%0.56173%0.732SS**  67.9128.656.4-66.7-112.1150.100112.7
430K30.6Very low30.2Very low152 Ų152139.3 Ų139.366%0.66173%0.729SS**  cis-168.3-171.2-4.8-168.1175.2-106.9150.50107.8
431I28.1Very low30.3Very low134 Ų134140.5 Ų140.569%0.68774%0.736SS**  trans92.9114151.5-65.1159.9000120.2
432Q30.1Very low30.6Very low179 Ų179139.1 Ų139.184%0.83673%0.73SS**  trans59.1146140.2-66.1171.41.600124.6
433N33Very low30.6Very low151 Ų151136.1 Ų136.181%0.80772%0.717SS**  trans-114.2132.7170.5-160.28.5000107.9
434P38.5Very low30.7Very low111 Ų111140.7 Ų140.772%0.72172%0.722SS**  trans-123.7115.1149.310.610.4000110.1
435R25.1Very low30Very low196 Ų196142.2 Ų142.274%0.7472%0.722SS**  78.8117.975.9-87.7-176.4164.6-123.6-4.1114.5
436E28.1Very low30Very low117 Ų117143.5 Ų143.555%0.54772%0.724SS.*  trans67.2148.3143.5-51.9161.8-157.100115.8
437K28Very low30.6Very low176 Ų176143.2 Ų143.277%0.76572%0.722SS**  cis-140.5128.327.7-79.2178.6-177.5175.70109.4
438H26.6Very low31Very low153 Ų153142.4 Ų142.471%0.70873%0.728SS**  74131.983.3-94.2-76.8000115.1
439L31.3Very low31Very low174 Ų174141.3 Ų141.391%0.91173%0.727SS**  trans67.7150.6166.5-54.8161.8000114.6
440G24.9Very low30.7Very low61 Ų61144.4 Ų144.463%0.62974%0.739SS**  cis179.8165.8-3.100000110
441P41.8Very low30.9Very low126 Ų126144.4 Ų144.482%0.81875%0.746SS**  trans-77.4159179.934.2-36.2000111.8
442K32.4Very low31.7Very low159 Ų159143.6 Ų143.669%0.69175%0.75SS**  trans-175.4130.9134-100.5-175-176.8-63.10109
443E30.2Very low31.6Very low135 Ų135141.3 Ų141.363%0.63175%0.748SS**  61118.589.8-70.9165.3-134.300112.3
444Q26.5Very low31.5Very low157 Ų157139.2 Ų139.273%0.73475%0.745SS**  89.587.457.2-175.6-169.480.700112.8
445I28.7Very low31.8Very low148 Ų148140.4 Ų140.476%0.75975%0.753SS**  trans66.4168144.4-41.6168.5000116.3
446I26.6Very low31.7Very low145 Ų145134.7 Ų134.774%0.74476%0.755SS**  trans78.7101.2164.4-47.8-179.7000113.7
447V40.2Very low31.8Very low127 Ų127140.2 Ų140.277%0.7777%0.771SS**  64.911865.4-179.20000111.4
448P39.3Very low31.7Very low115 Ų115139 Ų13975%0.74777%0.773SS**  -145.7-174.268.239.6-17.3000113.6
449T26.6Very low31.8Very low131 Ų131136.2 Ų136.280%0.80477%0.771SS**  -170.7158.375.2-56.60000111.1
450K29Very low31.8Very low185 Ų185135.9 Ų135.980%0.80476%0.764SS**  trans-90.4155.2-174.7-56173.2-179.9174.50113.4
451N34.7Very low32.1Very low152 Ų152141.7 Ų141.781%0.81378%0.775SS**  trans26.4141.4134.9-65.120000119.9
452P43.7Very low31.3Very low118 Ų118144.6 Ų144.677%0.76677%0.771SS**  -140.2-175.263.639.2-18.8000113.5
453T29.2Very low31.1Very low130 Ų130143.7 Ų143.780%0.79877%0.769SS**  cis-154.8139.226.3-590000112
454S29.7Very low30.9Very low107 Ų107142.3 Ų142.375%0.74877%0.77SS**  trans-100169.6163.7-300000109.7
455P44.5Very low31Very low136 Ų136140 Ų14088%0.88376%0.762SS**  cis-148.8-178.440.942.1-21.1000117
456G24.1Very low31Very low76 Ų76140.6 Ų140.678%0.78476%0.76SS**  trans17264.4171.500000120.3
457R29.2Very low31.1Very low233 Ų233137.9 Ų137.988%0.87975%0.753SS**  trans5.2125.2157.7-62.7179.7169.7-160.3-3.3120.7
458N27.3Very low30.5Very low152 Ų152138 Ų13881%0.81375%0.749SS**  169166.1110.2-87.1-21.4000115.2
459S28.8Very low29.9Very low94 Ų94141.4 Ų141.466%0.65775%0.749SS**  trans-43.2160.9166.345.70000115.9
460Q29.7Very low29.8Very low167 Ų167143.4 Ų143.478%0.7875%0.746SS**  cis-159.7171.912.3-120.5157.96.700106.5
461Q31.3Very low29.8Very low182 Ų182142.3 Ų142.385%0.8575%0.749SS**  cis-135.8168.328.9-67.8176.1-31.100112.9
462Y25.8Very low30.4Very low188 Ų188139.6 Ų139.674%0.73774%0.739SS**  trans-53.7136.2-171.6-100.1-132.8000116
463E27.2Very low29.7Very low140 Ų140142.5 Ų142.565%0.65474%0.742SS**  84.2143.771.5-81.9-153.7-174.200114.6
464V27.9Very low29.7Very low106 Ų106142 Ų14264%0.64274%0.744SS**  cis-166171.6-14.872.90000111.4
465N27.2Very low29.7Very low108 Ų108145.8 Ų145.858%0.57875%0.75SS**  trans84.3127.2155.1-89.2-32.3000122.9
466K29.4Very low28.8Very low161 Ų161142.5 Ų142.570%0.774%0.741SS**  68.1100.1129.5-70.7164.3-171.6152.10121
467S28.5Very low28.9Very low87 Ų87149.4 Ų149.461%0.60875%0.745SS**  -2.4136.9111.861.10000118.4
468N27.7Very low28.9Very low129 Ų129143.9 Ų143.969%0.6974%0.737SS**  144.1135.6122.7-78.1-37000115.3
469Y26.2Very low29.3Very low188 Ų188142.2 Ų142.274%0.73774%0.735SS**  trans69.2137.4135.1-78.6-134.6000121.6
470K25.4Very low29.6Very low173 Ų173144.2 Ų144.275%0.75274%0.743SS**  trans38.7112.7135.8-54.5-175.3-176-177.60120
471L28.5Very low29.9Very low162 Ų162141.2 Ų141.285%0.84874%0.738SS**  33.6141.593.6-149.686.9000117.9
472P47.4Very low29.7Very low95 Ų95137.4 Ų137.462%0.61772%0.723SS**  cis-130.5-163.8-46.842.1-26.8000111.8
473H28.5Very low29.8Very low178 Ų178135.8 Ų135.882%0.82472%0.72SS**  trans70.8130.8162.4-80.445.1000119.7
474S28.6Very low29.7Very low121 Ų121134.2 Ų134.285%0.84672%0.717SS**  trans-156.8132.3130.6-1700000109.1
475E29.4Very low29.7Very low185 Ų185132.1 Ų132.186%0.86471%0.707SS**  trans-79.3158.5162.5-64.2173.1111.600109.5
476G25.7Very low29.8Very low68 Ų68132.7 Ų132.770%0.70171%0.714SS**  trans160.272.9177.400000117.8
477Y27.2Very low29.9Very low220 Ų220128.3 Ų128.386%0.86370%0.698SS**  trans42.2111.4150.4-80.4-99.6000121.4
478T28.2Very low30Very low117 Ų117130.6 Ų130.672%0.71870%0.699SS**  24.1154.2124.859.90000122.5
479P36.3Very low30.1Very low118 Ų118131.1 Ų131.177%0.76670%0.697SS**  cis-138.1174.49.633.7-11.6000118
480V36.3Very low30.3Very low136 Ų136129.2 Ų129.282%0.82470%0.695SS**  trans-53.1134.7161.5168.80000112.6
481P35.8Very low30.2Very low104 Ų104127.7 Ų127.768%0.67570%0.695SS**  -151.2173.6103.939-21.3000114.3I272I272-P481 HydrophobicContact CD1-CB 3.92Å; I272-P481 HydrophobicContact CD1-CG 4.14Å
482N26.7Very low30.1Very low101 Ų101122.8 Ų122.854%0.5467%0.674SS.*  cis-171.6-178.6-22.3169.740000107.2I272I272-N482 HydrophobicContact CD1-CB 3.64Å; I272-N482 HydrophobicContact CG1-CB 3.71Å; I272-N482 WeakPolarHBondContact CG2-ND2 3Å
483F27.8Very low29.6Very low154 Ų154129.6 Ų129.668%0.67569%0.689SS**  trans-69.3167.9-164.9-73.2-135000117.8
484N25.8Very low29.8Very low108 Ų108130.1 Ų130.158%0.57869%0.685SS**  trans70.6151147.6-71.5-1.9000118.7G269 N270 S271G269-N484 CarbonylContact O-C 3.03Å; N270-N484 CarbonylContact C-O 3.42Å; N270-N484 VanDerWaalsContact CA-O 3.29Å; N270-N484 WeakPolarHBondContact CA-O 3.5Å; S271-N484 PolarHBondContact N-O 3.49Å
485S26.5Very low30.3Very low62 Ų62129 Ų12943%0.43468%0.675SS.*  cis-162.7176.94.225.60000113.3G269G269-S485 CarbonylContact C-O 3.16Å; G269-S485 WeakPolarHBondContact CA-O 3.23Å; G269-S485 PolarHBondContact N-O 2.68Å; G269-S485 PolarHBondContact O-N 3.46Å; G269-S485 VanDerWaalsContact O-O 3.06Å
486V29.7Very low30.2Very low120 Ų120129.2 Ų129.273%0.72767%0.668SS**  trans34.2117.5142.7177.80000120.4T268 G269T268-V486 CarbonylContact C-O 3.47Å; T268-V486 VanDerWaalsContact C-O 3.27Å; G269-V486 PolarHBondContact N-O 3.15Å
487D31.4Very low30.6Very low68 Ų68132.8 Ų132.836%0.36467%0.666SS.*  trans24.3137130.9-101.239.1000124.4S266 P267S266-D487 VanDerWaalsContact CA-OD1 3.31Å; S266-D487 WeakPolarHBondContact CA-OD1 3.44Å; P267-D487 VanDerWaalsContact C-CA 3.5Å; P267-D487 WeakPolarHBondContact O-CA 3.1Å
488Q30.6Very low30.6Very low136 Ų136129.4 Ų129.464%0.63666%0.663SS**  trans97.6154.9139.5-75.2173.538.500122.5P267P267-Q488 PolarHBondContact O-N 3.3Å
489H30.2Very low30.6Very low140 Ų140129 Ų12965%0.64867%0.665SS**  trans58.4108.6-176.7-73.1-79.9000116.8
490E29.4Very low30.4Very low147 Ų147134 Ų13469%0.68767%0.669SS**  94.9163.453.2-86.3-170.6176.100112.6
491N25.2Very low30.1Very low141 Ų141136.2 Ų136.275%0.75467%0.667SS**  trans72.3129.6171-67.4-38.8000115.7
492S25Very low29.6Very low60 Ų60135.8 Ų135.842%0.4266%0.662SS.*  cis-168.8160.8-0.8430000111.5Y494S492-Y494 VanDerWaalsContact CB-C 3.43Å; S492-Y494 WeakPolarHBondContact CB-O 3.35Å; S492-Y494 PolarHBondContact O-N 2.86Å; S492-Y494 WeakPolarHBondContact OG-CA 3.33Å; S492-Y494 PolarHBondContact OG-N 2.92Å; S492-Y494 VanDerWaalsContact OG-N 3.14Å
493Y36.5Very low30.2Very low237 Ų237134.8 Ų134.893%0.92966%0.661SS**SBendtrans-74.267141.4-119.9-92.4000108.6
494Y33.9Very low30.2Very low190 Ų190130.7 Ų130.775%0.74565%0.646SS**SBendtrans69144.1179.8-65.1-82.3000119.4S492S492-Y494 VanDerWaalsContact CB-C 3.43Å; S492-Y494 WeakPolarHBondContact CB-O 3.35Å; S492-Y494 PolarHBondContact O-N 2.86Å; S492-Y494 WeakPolarHBondContact OG-CA 3.33Å; S492-Y494 PolarHBondContact OG-N 2.92Å; S492-Y494 VanDerWaalsContact OG-N 3.14Å
495P38.4Very low30.4Very low96 Ų96129.9 Ų129.962%0.62365%0.649SS**  cis-136.6153.6-5.737.9-19.3000118.6
496R28.4Very low30.5Very low191 Ų191133.9 Ų133.972%0.72167%0.666SS**  trans74123.1136.7-79.9175163.9-102.9-11.3124.4
497E32.9Very low30.6Very low142 Ų142131.9 Ų131.966%0.66467%0.67SS**  87.5132125.4-71.2165.9150.100123.3
498D26.7Very low30.5Very low150 Ų150137.4 Ų137.480%0.80269%0.693SS**  trans-62.3155.5-175.1-52-93.7000117.6
499S29.8Very low30.5Very low107 Ų107136.1 Ų136.175%0.74870%0.695SS**  165.6131114.1-79.80000118.6
500R31.8Very low30.3Very low225 Ų225137.5 Ų137.585%0.84970%0.702SS**  trans67.3113.6139.4-66.7178.3170.7-169.8-0.6124.1
501K30.3Very low30.1Very low182 Ų182135.2 Ų135.279%0.79170%0.702SS**  71.3114.1122.9-71.6-170.2172.3-169.20123.9
502V24.7Very low30.5Very low95 Ų95137.1 Ų137.158%0.57671%0.706SS**  54.7137106.7167.80000119.5
503P39.4Very low30.9Very low80 Ų80142.5 Ų142.552%0.51973%0.728SS.*  cis-145.9-165.5-2.944-22.5000118.7P275P275-P503 WeakPolarHBondContact O-CB 3.47Å; P275-P503 VanDerWaalsContact O-CG 3.22Å; P275-P503 WeakPolarHBondContact O-CG 3.27Å
504N26.9Very low30.9Very low67 Ų67138.6 Ų138.636%0.35872%0.723SS.*  trans-21.1152.6170.3-54.618.2000123.1N276N276-N504 PolarHBondContact OD1-ND2 2.76Å
505S29.8Very low31.4Very low92 Ų92134.2 Ų134.264%0.64372%0.718SS**  trans-162.1158.3133.8-80.40000113.3
506D30.3Very low31Very low146 Ų146139.2 Ų139.278%0.78173%0.73SS**  trans-79.8163.1179.4-52.5-88.3000113.9
507G31.9Very low31.1Very low78 Ų78133.2 Ų133.280%0.80473%0.727SS**  trans177.8145.616800000118.7
508Q28.7Very low31Very low184 Ų184135.1 Ų135.186%0.8674%0.738SS**  trans-59.9170.4168.2-58.5154.7-77.600111.7
509T30.1Very low31.1Very low108 Ų108133.4 Ų133.466%0.66373%0.733SS**  cis-159.914332.1-40000107.6
510Q25.1Very low31.2Very low170 Ų170136.2 Ų136.279%0.79474%0.739SS**  55.8135.189.7-157.9179.812.900116.8
511S25.2Very low31.3Very low99 Ų99129.7 Ų129.769%0.69273%0.733SS**  trans76.3122.9162.969.30000120.3
512Q35.2Very low32.1Very low181 Ų181126.9 Ų126.985%0.84673%0.733SS**  trans45.9132.2134.1-55.8176.812.500120.5
513I33.5Very low32.4Very low172 Ų172132.6 Ų132.688%0.88274%0.744SS**  -172.4142.4121.3-98.3155.3000112.1
514L35.6Very low32Very low156 Ų156138.9 Ų138.982%0.81776%0.758SS**  trans-75.7-169.5173.5-89.9157.9000110.4
515P44.8Very low32.3Very low98 Ų98143.2 Ų143.264%0.63678%0.779SS**  cis-158.8-161.130.537.5-9000118.6
516K30.7Very low33.2Very low201 Ų201143.3 Ų143.387%0.87478%0.778SS**  trans93.3128.4162.1-55.7156.1-175.9174.70115.7
517G29.1Very low33.2Very low65 Ų65145.8 Ų145.867%0.6778%0.777SS**  cis-175.7143.6-5.600000111.1
518M31.3Very low33.1Very low182 Ų182150 Ų15090%0.89778%0.776SS**  77.6129.783.7-82.8-173.772.300114
519V29.1Very low33.3Very low114 Ų114145.9 Ų145.969%0.69177%0.768SS**  cis-159.5175.75.6-158.70000111.1
520L32.1Very low33.4Very low166 Ų166148.9 Ų148.987%0.86977%0.774SS**  trans88.5145158.4-61.2175.7000117.7
521A32.9Very low33.8Very low88 Ų88146 Ų14673%0.72777%0.769SS**  cis-158.3171.6-5.300000111.9
522P48.3Very low34.1Very low122 Ų122147.6 Ų147.679%0.79277%0.769SS**  trans-123.3169.9-154.642.8-33000118.1
523R30.1Very low33.9Very low215 Ų215147.1 Ų147.181%0.81177%0.767SS**  trans-171.3141.4146.8-113.8176.5178177.20.7117.7
524R31.7Very low34.3Very low213 Ų213143.5 Ų143.580%0.80475%0.754SS**  trans78157.9149.1-75177174.9168.6-4.5122.1
525I32.9Very low34Very low158 Ų158144.1 Ų144.181%0.8175%0.753SS**  trans-162.5-175.6-16910.8167.5000105.6
526P48.9Very low33.3Very low94 Ų94146 Ų14661%0.6176%0.757SS**  cis-135.5-152.4-16.426.50.4000112.7
527Y30.4Very low33.3Very low198 Ų198144.6 Ų144.678%0.77675%0.751SS**  trans78.8152.9166-68.6-73.2000117.8
528E30.2Very low33.5Very low167 Ų167149.7 Ų149.778%0.7876%0.757SS**  cis-137.6-1773.6-155.9126.7-123.500112.4
529S32.4Very low33.3Very low97 Ų97146.6 Ų146.668%0.67875%0.753SS**  trans-135.7176.3-167.256.10000114.6
530E32Very low33.3Very low170 Ų170145.9 Ų145.979%0.79476%0.76SS**  trans75.8126.8160.6-120.6176.1176.800115.6
531T33.4Very low33.1Very low111 Ų111148.1 Ų148.168%0.68176%0.758SS**  -168139.163270000114.6
532N31.6Very low33.1Very low131 Ų131151.1 Ų151.170%0.70176%0.757SS**  trans70.2124.8137.5-71.8-44.2000125.2
533Q30.7Very low32.2Very low171 Ų171151 Ų15180%0.79976%0.756SS**  trans80.1148.9147.2-62.7-68.4-52.100118.7
534P41.2Very low32Very low96 Ų96143.4 Ų143.462%0.62374%0.739SS**  trans-136.4-169.3-138.545-27.3000115.7
535E29.5Very low31.7Very low169 Ų169140.5 Ų140.579%0.7975%0.745SS**  trans81.6142155.1-78.1-171.3-174.700121.1
536L31.6Very low31.4Very low137 Ų137140.8 Ų140.872%0.71774%0.742SS**  trans45109.3159.8-84.968.6000119.9
537K29.3Very low31.5Very low173 Ų173141.4 Ų141.475%0.75275%0.747SS**  23.5121.5113.1-50.9178.9180-1780114.7
538H33Very low31.6Very low172 Ų172140.7 Ų140.780%0.79675%0.75SS**  cis-147.8164.143.2-78.8-94.6000111.8A540H538-A540 PolarHBondContact O-N 3.42Å
539S27.3Very low31.4Very low116 Ų116140.5 Ų140.581%0.81175%0.749SS**PPolyproline II helixtrans-56.9123.6179.852.80000112.7
540A29.8Very low31.3Very low100 Ų100142.7 Ų142.783%0.82675%0.752SS**PPolyproline II helixtrans-68.5170.1170.300000112H538H538-A540 PolarHBondContact O-N 3.42Å
541Y28Very low31.5Very low212 Ų212140.5 Ų140.583%0.83175%0.752SS**PPolyproline II helixtrans-86.8146.4-169-84-111.3000114.4
542Q32.3Very low31.1Very low151 Ų151141.3 Ų141.371%0.70676%0.763SS**  trans67.5158.2154.2-68.7176.9-10.300115.8A544Q542-A544 HydrophobicContact CB-CB 3.87Å; Q542-A544 HydrophobicContact CG-CB 4.3Å
543P29.9Very low31.1Very low121 Ų121139.5 Ų139.579%0.78677%0.766SS**  -98158.459.7-626000113.1
544A25.3Very low30.9Very low54 Ų54141.3 Ų141.345%0.44677%0.771SS.*  cis62.483.34.800000117.2Q542Q542-A544 HydrophobicContact CB-CB 3.87Å; Q542-A544 HydrophobicContact CG-CB 4.3Å
545V26.2Very low30.3Very low153 Ų153144.2 Ų144.293%0.92778%0.777SS**  trans-89.3116147.7178.90000107
546H26.3Very low30.1Very low163 Ų163144 Ų14476%0.75578%0.775SS**  trans-161.5175.2-163-128.7-4.8000107.3
547P52Low30.3Very low108 Ų108147.2 Ų147.270%0.70178%0.784SS**  -126.1-175.7-93.742-28.4000113.7
548E30.7Very low30.8Very low183 Ų183144.9 Ų144.986%0.85579%0.786SS**  trans-144.2135.6162.3-90.7179.1163.800107.7
549E27.2Very low30.5Very low162 Ų162141.5 Ų141.576%0.75779%0.788SS**  cis-138.3149.5-1.3-69.4-171.997.900113.1
550I29.4Very low30.5Very low143 Ų143139.7 Ų139.773%0.73379%0.788SS**  trans39120.4141.9-54.1171.2000120.7
551P36.2Very low30.5Very low124 Ų124145.4 Ų145.481%0.80579%0.788SS**  trans-91163.7161.537.8-33.7000112.9
552S26.6Very low30.5Very low128 Ų128141.6 Ų141.690%0.89578%0.782SS**  trans-131.9119.5164.6-160.80000111.3
553A30.1Very low30.3Very low94 Ų94141.7 Ų141.778%0.77779%0.793SS**  trans-102.2145.717400000110.3
554K26.6Very low30.3Very low208 Ų208146.8 Ų146.890%0.90480%0.797SS**  trans-144.3112.8157-121.4170.9-174.4173.90110.8
555E28.5Very low30.3Very low158 Ų158151.6 Ų151.674%0.73882%0.815SS**  trans-65.4160168.5-56.4148.5115.400110
556H25.5Very low30.5Very low163 Ų163151.6 Ų151.676%0.75581%0.805SS**  168.8109.7108.9-88.784.8000110
557F35.3Very low30.7Very low205 Ų205152.9 Ų152.990%0.89981%0.811SS**  trans-89.1151.4157.2-74.6-80.4000109.1
558P40.7Very low29.6Very low124 Ų124155.3 Ų155.381%0.80581%0.813SS**  -131.5158.4124.736.7-29.5000112.7
559A27Very low29.6Very low102 Ų102153.6 Ų153.684%0.84381%0.808SS**PPolyproline II helixtrans-85.5132.2-176.500000113
560G27.1Very low29.3Very low77 Ų77151 Ų15179%0.79481%0.808SS**PPolyproline II helixtrans-87.7141.7160.500000110.8
561R28.9Very low30.2Very low221 Ų221149.9 Ų149.983%0.83481%0.81SS**PPolyproline II helixtrans-98.9134.1-175.7-85.6-172.4173.4-159.4-1113.5
562N28Very low30.2Very low131 Ų131148.7 Ų148.770%0.70180%0.802SS**  trans55107.5136.5-5113.2000119.4
563T29.4Very low30.2Very low153 Ų153151.7 Ų151.794%0.93980%0.799SS**  -155.1146.7124.8-1.50000110
564W29.1Very low30.3Very low228 Ų228154.1 Ų154.186%0.86479%0.792SS**  trans-91.7155170.9-103.7-45.5000109.3
565D26.3Very low30.3Very low156 Ų156150.4 Ų150.483%0.83478%0.778SS**  -157174.8124.5-123.3-37.4000112.7
566H30Very low30.2Very low153 Ų153151.2 Ų151.271%0.70878%0.782SS**  trans-134.5152.3-179.3-85.9-1.9000112.6
567Q30.2Very low30.8Very low189 Ų189149.4 Ų149.488%0.88379%0.785SS**  trans69149.9-175.2-49.6178.3-28.500111.4
568E28.4Very low30.4Very low160 Ų160143.2 Ų143.275%0.74878%0.778SS**  cis-150.816833.8-65.2-175.3126.400113.9
569I30.3Very low29.9Very low147 Ų147148 Ų14875%0.75478%0.78SS**  trans70.4147.4148.3-68.9153.5000120.1
570S22.7Very low29.9Very low108 Ų108150.2 Ų150.276%0.75577%0.773SS**  trans-140.3172.6167.1-46.80000107.5
571P47Very low29.8Very low119 Ų119153.9 Ų153.977%0.77377%0.77SS**  cis-127-127.7-1.840.6-19.7000108.7
572P37.5Very low29.7Very low99 Ų99151.3 Ų151.364%0.64377%0.767SS**  cis-126157-41.633.8-18.1000114.2
573F26.7Very low29.7Very low190 Ų190152.9 Ų152.983%0.83377%0.77SS**  -177.8162.1125.7-119.8-122.7000115.3
574K31.2Very low29.8Very low146 Ų146153.1 Ų153.164%0.63577%0.765SS**  trans-32.2158.6157.4-80.9172.1158.8-76.40116.8
575E25.7Very low30.7Very low130 Ų130147 Ų14761%0.60775%0.754SS**  cis-179126.1-3.1171.2168.3-143.200112.2
576H26.3Very low30.7Very low174 Ų174147.1 Ų147.181%0.80675%0.749SS**  trans63.1166.8169.1-72.976.9000118.2
577P39.3Very low31.3Very low126 Ų126142.8 Ų142.882%0.81874%0.735SS**  cis-125.1165.4-11.438.2-24.2000115.1
578G27.5Very low31Very low74 Ų74138.8 Ų138.876%0.76373%0.727SS**  trans129.999.1147.200000120.3
579R30Very low31.2Very low226 Ų226138.7 Ų138.785%0.85373%0.727SS**  trans36.8130.3148.2-69.2-172.3174.9-166.6-1.1122.9
580Q26.1Very low31.1Very low148 Ų148135.3 Ų135.369%0.69273%0.729SS**  trans70.7145.6154-67173.2-90.100115.5
581E25.1Very low31.3Very low154 Ų154135.7 Ų135.772%0.7273%0.731SS**  cis-153.41794.7-144.5139.4-145.200112.2
582E26.1Very low30.4Very low166 Ų166142.3 Ų142.378%0.77674%0.741SS**  trans62.2101.4161.7-57.4-161.1116.300124.2
583H28.7Very low29.9Very low164 Ų164141 Ų14176%0.75975%0.745SS**  63.4128.9120.5-69.5-57.6000127.4
584L31.7Very low29.8Very low159 Ų159142.8 Ų142.883%0.83275%0.746SS**  trans78.1167.9149.7-63.9167.8000118.7
585P47.1Very low29.5Very low99 Ų99140.5 Ų140.564%0.64375%0.745SS**  cis-140.3-174.44.242.8-23.5000119
586H27.1Very low29.4Very low159 Ų159143.1 Ų143.174%0.73675%0.754SS**  trans106.2154136.5-84-2.7000125.2S852H586-S852 PolarHBondContact O-OG 3.37Å
587P41.6Very low29.3Very low62 Ų62144.8 Ų144.840%0.40376%0.755SS.*  -146.5-164.4-127.847.9-27.6000118.8P854P587-P854 HydrophobicContact CB-CG 3.84Å; P587-P854 HydrophobicContact CG-CG 4Å
588S25.5Very low29.4Very low104 Ų104144.2 Ų144.273%0.72775%0.751SS**  trans168.8179.9133.555.90000118.5
589H32.1Very low29.2Very low158 Ų158148 Ų14873%0.73175%0.749SS**  trans-85.7171.3-148-65.2-83.8000122.8
590G27.4Very low28.9Very low77 Ų77147.1 Ų147.179%0.79475%0.747SS**  trans-179.9148.1157.800000114.6
591S27.5Very low29.1Very low116 Ų116147 Ų14781%0.81175%0.752SS**  trans-163.1148.6-174.465.60000120.5
592R28.1Very low29.6Very low258 Ų258144.6 Ų144.697%0.97475%0.749SS**  trans173.9169.7158.3-91.5145.3-166.7-171.34109.1
593G26.5Very low29.5Very low72 Ų72147.7 Ų147.774%0.74276%0.755SS**  cis130.9135.7-4.800000113.1
594R24.5Very low29.8Very low226 Ų226146.4 Ų146.485%0.85375%0.754SS**  cis-169.6129-9.4-134.6-154.1-177.7-1513.3112.1
595V25.2Very low30.2Very low99 Ų99143.7 Ų143.760%0.675%0.746SS**  trans46.9157155.4-95.60000122.3
596F24.3Very low29Very low184 Ų184148.1 Ų148.181%0.80775%0.75SS**  cis-156.9173.543.9-92.4-69.8000116.4
597Y24.6Very low28.9Very low209 Ų209146.7 Ų146.782%0.8274%0.744SS**  trans-109.4-165.7174-86.2-91.2000110.9
598P40.8Very low28.1Very low114 Ų114149.9 Ų149.974%0.7476%0.757SS**  cis-131.5-150.9-2.146.1-26.1000112.1
599E23.3Very low28Very low155 Ų155150 Ų15072%0.72476%0.758SS**  cis-152.3-157-14.7-147.1-155.8128.400109.1
600Y24Very low28.4Very low206 Ų206147.1 Ų147.181%0.80875%0.753SS**  trans83.8128.4168.8-91.2-93.4000121.7
601N30.2Very low28.3Very low147 Ų147154 Ų15479%0.78676%0.757SS**  trans-114.1177.8171.8-73.41.5000107.9
602P34.9Very low28.1Very low103 Ų103159.8 Ų159.867%0.66976%0.761SS**  cis-154.8-171.52546.8-25.3000119.4
603Y24Very low28Very low230 Ų230157.3 Ų157.390%0.90275%0.752SS**  trans67.1149.9153.8-83-72.3000122.2
604D35.8Very low27.8Very low138 Ų138158.1 Ų158.174%0.73875%0.746SS**  trans-103.7149.7177.1178.146000109.2
605P39.1Very low27.9Very low102 Ų102153.9 Ų153.966%0.66274%0.74SS**  -162.116598.343.7-23.4000120.1
606R23.5Very low27.9Very low191 Ų191157.1 Ų157.172%0.72175%0.753SS**  trans73.5127.7131.6-82.8169.9165-103.6-8.1125.5
607E24.8Very low28Very low129 Ų129158.9 Ų158.960%0.60375%0.754SS**  93.7139.2122.9-79.8170145.100126.6
608N25.1Very low28.1Very low129 Ų129153.7 Ų153.769%0.6974%0.741SS**  trans77.695.4148.7-62.6-25.3000124.1
609S23Very low27.4Very low106 Ų106155.6 Ų155.674%0.74174%0.74SS**  37.3172.6107.175.50000122.5
610P40Very low27.7Very low98 Ų98156.1 Ų156.164%0.63674%0.735SS**  cis-135.1-175.1-27.824.8-0.3000115.4
611Y24.4Very low27.8Very low223 Ų223153 Ų15388%0.87573%0.732SS**  trans67.9166.7169.7-66.2-77.6000116.8
612R24.8Very low27.5Very low236 Ų236154.1 Ų154.189%0.89174%0.738SS**  cis-145.6168.49-155.4176.7-178.8-131.44.3112
613R25.3Very low27.3Very low206 Ų206154 Ų15478%0.77774%0.74SS**  trans-104.6152-177.9-176.4-174.5-168.51724.4112.3
614S21.6Very low28.2Very low89 Ų89148.6 Ų148.662%0.62273%0.733SS**  trans128.6118141.677.90000118.9
615N27.2Very low27.8Very low137 Ų137147.9 Ų147.973%0.73373%0.729SS**  trans40.6133.5130.3-48.910.9000122.4
616I25.5Very low27.3Very low168 Ų168149.2 Ų149.286%0.86274%0.736SS**  trans-133.4159.7146.5-68-173.6000108.3
617W27Very low27.4Very low220 Ų220148.5 Ų148.583%0.83374%0.743SS**  trans-127175.5-174.7-105.165.7000111.1
618D26.8Very low27.5Very low101 Ų101145.8 Ų145.854%0.5475%0.749SS.*  trans66159.9173.5-71.3-6.6000115.3R620D618-R620 IonicContact OD1-NH2 3.75Å; D618-R620 IonicContact OD2-CZ 3.63Å; D618-R620 IonicContact OD2-NE 3.93Å; D618-R620 IonicContact OD2-NH2 2.68Å; D618-R620 PolarHBondContact OD2-NH2 3.34Å
619E26.1Very low27.6Very low154 Ų154148.2 Ų148.272%0.7276%0.756SS**  cis-143.4133.919.5-166.4140.6-130.200113
620R28Very low27.8Very low166 Ų166150.5 Ų150.563%0.62675%0.753SS**  trans27.4157.8130-48.4166.1-146.5-80.1-11.7120D618D618-R620 IonicContact OD1-NH2 3.75Å; D618-R620 IonicContact OD2-CZ 3.63Å; D618-R620 IonicContact OD2-NE 3.93Å; D618-R620 IonicContact OD2-NH2 2.68Å; D618-R620 PolarHBondContact OD2-NH2 3.34Å
621D26.7Very low27.1Very low139 Ų139153.5 Ų153.574%0.74376%0.758SS**  cis-149.8151.232.1-96.4-54000113.1
622D24.9Very low27.3Very low172 Ų172148.7 Ų148.792%0.9276%0.758SS**  trans-167.7108.8142.2-125.4-20.7000111.3
623S29.9Very low27.3Very low101 Ų101142.5 Ų142.571%0.70675%0.75SS**  trans-167.8153.917280.40000109.3
624P43.2Very low27.4Very low116 Ų116140.9 Ų140.975%0.75376%0.756SS**  -132.8-157.755.340.1-21.1000111.2
625N27.7Very low27.4Very low123 Ų123147.2 Ų147.266%0.65877%0.768SS**  cis-152.2158.96.8-144.2-9.3000108.3
626T27.5Very low28.2Very low130 Ų130145.8 Ų145.880%0.79877%0.766SS**  -164.4151.174.8-60.40000109.9
627M26.7Very low28.1Very low176 Ų176145 Ų14587%0.86776%0.762SS**  trans-64.9161.3-176.9-67.3177.4177.700114.2
628G26.6Very low28Very low72 Ų72141.2 Ų141.274%0.74276%0.758SS**  cis-164.8-158.215.400000117.8
629Q26.2Very low28.3Very low179 Ų179142.7 Ų142.784%0.83677%0.771SS**  trans-70.6146.2-164.7-70.7175.2-16.800113.4
630K27.1Very low29Very low154 Ų154140.7 Ų140.767%0.6777%0.771SS**  cis77.498.342179.6-111.8179-165.60113.5
631E26.4Very low28.8Very low161 Ų161139.5 Ų139.575%0.75278%0.777SS**  -170.6161123.5-107.2157.9-154.300113.4
632S28.8Very low29Very low123 Ų123140.8 Ų140.886%0.8678%0.779SS**  trans-128.5121.9-172.5-57.20000111.1
633S24Very low29.3Very low105 Ų105140.9 Ų140.973%0.73477%0.771SS**  trans-159.9121.3172.260.30000114.3
634L27.6Very low29.2Very low172 Ų172143 Ų14390%0.90177%0.77SS**  trans63.8142.1142.4-53.6172000120.8
635Y21.5Very low28.4Very low223 Ų223144 Ų14488%0.87577%0.773SS**  trans-64178.9170.2-70.4-85.6000113.7
636P43.2Very low28.6Very low106 Ų106144.2 Ų144.269%0.68878%0.779SS**  cis-130.9-179.3-44.237.8-23.6000111.3
637I23.7Very low29.5Very low152 Ų152142.7 Ų142.778%0.77977%0.771SS**  trans-171.4137.9146.6-109.3158.2000117
638N26.3Very low29.5Very low141 Ų141145.2 Ų145.275%0.75477%0.773SS**  trans42.5131.1150.8-52.3-9000126.1
639T32.7Very low30Very low131 Ų131147.1 Ų147.180%0.80477%0.766SS**  trans-62.4159.9146.93.20000112.8
640P39.7Very low30.5Very low112 Ų112148.1 Ų148.173%0.72777%0.771SS**  -142.6-165.275.242.7-23.7000112.5
641D25.4Very low30.9Very low142 Ų142149 Ų14976%0.75978%0.777SS**  cis-152.4177.88.5-146.8-26.6000112.6
642H30.2Very low31.3Very low166 Ų166148.9 Ų148.977%0.76978%0.782SS**  trans-80.3164.2-175.9-68.5-100.8000115.8
643K30.5Very low32.1Very low174 Ų174148.5 Ų148.576%0.75778%0.777SS**  178.8150.8108.8-94.7169163-81.80116.4
644E27.4Very low32.4Very low146 Ų146151 Ų15168%0.68278%0.78SS**  trans19.3139.1150.7-65.9148.9123.400120.3
645T28.1Very low33.3Very low135 Ų135149.6 Ų149.683%0.82877%0.773SS**  -161.8159.963.8-55.70000112.9
646V30.8Very low34.2Very low128 Ų128143.8 Ų143.878%0.77676%0.763SS**  trans-150.7163.2-173.3-176.10000108.2
647P47.1Very low33.8Very low98 Ų98144.3 Ų144.364%0.63676%0.764SS**  cis-115.2-158.7-40.339.1-23.2000110.8
648Y26.3Very low34.1Very low229 Ų229140.7 Ų140.790%0.89877%0.765SS**  trans-154.9147.8131.1-118.4-79.3000111.4
649N37Very low34.2Very low112 Ų112140.2 Ų140.260%0.59976%0.762SS**  trans-113.7157176.9-63-1.6000110.6
650E35.8Very low34.2Very low201 Ų201142.7 Ų142.794%0.93977%0.765SS**  trans-136.3155.6144.9-70.2-166.7143.900108.2
651E36.2Very low33.6Very low171 Ų171143 Ų14380%0.79976%0.764SS**  trans-126.8165.3-158.1-66.1170.714200113.7
652D35.9Very low34Very low160 Ų160145.5 Ų145.586%0.85677%0.769SS**  trans-55.5165.7-176.3-55.4-56000114.8
653P45.3Very low34.8Very low115 Ų115143.5 Ų143.575%0.74777%0.771SS**  -159.8175.59140.6-19.5000119.5
654I30Very low34.7Very low157 Ų157138.5 Ų138.581%0.80577%0.768SS**  trans106.4124.2153.4-56.8170.2000118.7
655D46Very low34.7Very low143 Ų143139.8 Ų139.877%0.76577%0.774SS**  trans-134.7140.8164.7162.647.5000108.4
656P40.6Very low34.6Very low101 Ų101139 Ų13966%0.65676%0.764SS**  trans-145.9113.1153.334-14.5000116.4
657T34.9Very low34.5Very low116 Ų116142.4 Ų142.471%0.71276%0.764SS**  56.7140.5122.5-46.30000122.1D659T657-D659 VanDerWaalsContact CG2-OD1 3.24Å; T657-D659 WeakPolarHBondContact CG2-OD1 3.49Å
658G29Very low33.6Very low77 Ų77148.3 Ų148.379%0.79477%0.773SS**  trans-164.142.2178.700000118.2
659D30.1Very low33.7Very low131 Ų131140.7 Ų140.770%0.70176%0.764SS**  trans24.9122.3154.6-50.9-18.2000124.8T657T657-D659 VanDerWaalsContact CG2-OD1 3.24Å; T657-D659 WeakPolarHBondContact CG2-OD1 3.49Å
660E32.4Very low33.3Very low183 Ų183144 Ų14486%0.85578%0.776SS**  trans50.9168.8133.4-50-158.5151.800121.8
661V27.6Very low32.9Very low119 Ų119142.9 Ų142.972%0.72177%0.771SS**  cis-157.3161.334.2174.50000112.4
662F32.8Very low32.5Very low194 Ų194140.8 Ų140.885%0.85177%0.765SS**  trans-134.3177173.6-69.5-88.6000111.5
663P46.2Very low32Very low124 Ų124138.1 Ų138.181%0.80576%0.758SS**  cis-122.6-1580.145.4-29.5000112.1
664G28.7Very low31.2Very low68 Ų68141.3 Ų141.370%0.70176%0.761SS**  cis118.6115.4-6.100000115.6
665Q28.5Very low31.3Very low173 Ų173142.8 Ų142.881%0.80876%0.761SS**  trans-156.8149.7-177.6-121.9-169.5-3.400117.6
666N25.7Very low30.4Very low118 Ų118139.2 Ų139.263%0.63176%0.758SS**  trans60.9171.5149.1-64.2-19.9000122.6
667R29.5Very low29.7Very low201 Ų201137.9 Ų137.976%0.75876%0.764SS**  -172.5132.4-66.4-114.1-162.5177-149.84.6111
668W27.4Very low30Very low221 Ų221137.9 Ų137.984%0.83777%0.765SS**  trans64.2163.6164.8-62.656000115.4
669G27.3Very low29.9Very low69 Ų69140.4 Ų140.471%0.71177%0.766SS**  cis-159.8179.80.800000113.4
670E28.9Very low30.1Very low182 Ų182139.8 Ų139.885%0.8577%0.766SS**  trans-91.7145.7-170.8-56.2151.5106.100114.3
671E27Very low29.9Very low178 Ų178140.9 Ų140.983%0.83276%0.762SS**  trans-160.7147.4146.9-78.9-153.3138.100107.3
672L28.4Very low30.1Very low126 Ų126142.8 Ų142.866%0.6676%0.763SS**  cis-159.1156.4-6.2-119.6171.4000110.1
673S26.7Very low30.5Very low104 Ų104144.5 Ų144.573%0.72777%0.766SS**  trans71.3146.7158.886.20000119
674F27.4Very low29.6Very low183 Ų183146.3 Ų146.380%0.80376%0.764SS**  cis-159.5156.9-27-136.7-88.2000108.7
675K31.8Very low29.4Very low187 Ų187146.1 Ų146.181%0.81376%0.761SS**  trans69.8123.2-176.8-51.6-77.8-172.8171.80113.4
676G27.7Very low29.4Very low68 Ų68147 Ų14770%0.70177%0.765SS**  cis70.4102.35.900000112.2
677G26.2Very low29.5Very low74 Ų74150.3 Ų150.376%0.76378%0.777SS**  cis96.5167.529.500000110.7
678P40.7Very low29.2Very low115 Ų115151.6 Ų151.675%0.74778%0.783SS**  cis-134.2165.6-1.142.5-26.8000115.8
679T27.8Very low29.1Very low131 Ų131145.9 Ų145.980%0.80478%0.783SS**  trans72.3160.7156.7-36.80000118.4
680V32.6Very low29.2Very low117 Ų117147.4 Ų147.471%0.70978%0.783SS**  trans76.694.3173.7-172.60000113.6
681R29.7Very low29.2Very low206 Ų206146.5 Ų146.578%0.77778%0.784SS**SBendcis-150164.59.3-58.7-176.1179.4-169-3.4112.7
682H30.7Very low29.4Very low160 Ų160145.3 Ų145.374%0.74178%0.778SS**  trans78.4157.7167.5-50.9-73.5000117.3
683Y41.3Very low29.8Very low229 Ų229144.1 Ų144.190%0.89878%0.778SS**  trans80.245.4175.7-64.1-77.6000119.8
684E27.1Very low30.7Very low163 Ų163148.8 Ų148.876%0.76279%0.785SS**  trans-155.3144.4142.7-132.6163.4-14400105.9Q960E684-Q960 PolarHBondContact OE1-NE2 3.19Å
685G25.7Very low30.8Very low63 Ų63146.6 Ų146.665%0.64978%0.778SS**  cis-165.5174.3-8.600000108.4
686E28.2Very low30.5Very low191 Ų191146.1 Ų146.189%0.89377%0.772SS**  trans51.299.2169.5-57.4-165.9145.600120.3
687Q26.7Very low31.7Very low188 Ų188146.9 Ų146.988%0.87976%0.764SS**  -162.8120.9127.9-104.6158.141.900107.1
688Y24.6Very low32.2Very low229 Ų229149 Ų14990%0.89877%0.765SS**  55.2118.277.5-103.4-78000114.9
689A25.4Very low31.6Very low100 Ų100152.5 Ų152.583%0.82677%0.765SS**  trans72.4150.8171.200000119.2
690S28.7Very low31.5Very low102 Ų102151.2 Ų151.271%0.71376%0.761SS**  trans62.3109.9172.5-165.70000119.1
691N29.2Very low31.4Very low162 Ų162152.2 Ų152.287%0.86676%0.761SS**  -170.378.1124.9-91.2-26.3000111.8
692Q31.8Very low31.4Very low154 Ų154148.6 Ų148.672%0.7276%0.758SS**  trans-74.3160137.5-82.2-85.720.100107.3
693P36.2Very low31.6Very low100 Ų100148.4 Ų148.465%0.64976%0.762SS**  cis-110.5154.519.138.8-31.6000115.8E695P693-E695 HydrophobicContact CB-CB 4.37Å
694K45Very low31.5Very low202 Ų202142.6 Ų142.688%0.87875%0.752SS**  trans-111.762.3151.3-85.9-166.9172.2-175.30110.8
695E30.9Very low31.5Very low138 Ų138139 Ų13965%0.64575%0.745SS**  trans-140.1148.1174.8-67.1-166.5157.600107.6P693P693-E695 HydrophobicContact CB-CB 4.37Å
696Y25.3Very low31.8Very low177 Ų177144.9 Ų144.969%0.69475%0.753SS**  cis-154.9-172.2-14.9-113-36.1000107.8
697P52.1Low32.1Very low83 Ų83141.6 Ų141.654%0.53975%0.748SS.*  trans-103.6-137.9-164.631.5-9.7000111.2Y699P697-Y699 HydrophobicContact CG-CD2 3.62Å; P697-Y699 HydrophobicContact CG-CG 4.24Å
698P37.4Very low32.2Very low120 Ų120141.3 Ų141.378%0.77974%0.739SS**  -128.4143.884.539.4-31000111.3
699Y28.2Very low32.6Very low188 Ų188138.7 Ų138.774%0.73774%0.735SS**  cis60.5151.247.6-102.8-57.3000114.9P697P697-Y699 HydrophobicContact CG-CD2 3.62Å; P697-Y699 HydrophobicContact CG-CG 4.24Å
700S25.2Very low32.7Very low103 Ų103138.7 Ų138.772%0.7272%0.721SS**  trans77.8140.8-175.6-57.50000115
701L30Very low32.7Very low138 Ų138142 Ų14272%0.72372%0.723SS**  cis-146.7151.13.9-150.477.5000111.7
702D30.4Very low32.8Very low131 Ų131145.4 Ų145.470%0.70173%0.725SS**  trans39.9119.8151.3-62.5-9.3000122.5
703N33.4Very low32.5Very low156 Ų156147.3 Ų147.383%0.83473%0.727SS**  trans-55142.5138.1-108.3-44.5000109
704P39.6Very low32.1Very low106 Ų106147.3 Ų147.369%0.68873%0.729SS**  -156.5153.582.641.5-23000119
705S27.8Very low31.3Very low89 Ų89145.1 Ų145.162%0.62272%0.722SS**  trans53.6120.2136.870.90000123
706K31.8Very low31.2Very low186 Ų186146.7 Ų146.781%0.80973%0.727SS**  trans64.9123.4141.3-62.2174.9179.5178.20119.4
707P34.1Very low31.2Very low122 Ų122144.9 Ų144.979%0.79272%0.72SS**  trans-76.8134145.733-30000109.8
708R29.4Very low30.7Very low181 Ų181145 Ų14568%0.68372%0.721SS**  trans-164.356.6165-149.8-175.1-160.5-86.4-2.2112.8D710R708-D710 IonicContact CZ-OD1 2.99Å; R708-D710 IonicContact CZ-OD2 2.79Å; R708-D710 VanDerWaalsContact NH1-CG 3.31Å; R708-D710 IonicContact NH1-OD1 3.98Å; R708-D710 PolarHBondContact NH1-OD1 2.84Å; R708-D710 IonicContact NH1-OD2 3.98Å; R708-D710 PolarHBondContact NH1-OD2 3.4Å; R708-D710 PolarHBondContact O-N 3.06Å
709E31.9Very low30.4Very low175 Ų175151.5 Ų151.582%0.81873%0.73SS**  trans-68.7107.3159.8-73.865.5-150.300109
710D29Very low30.4Very low99 Ų99149.8 Ų149.853%0.52973%0.734SS.*  trans-75.5154163.2-69.1-75000109.7R708R708-D710 IonicContact CZ-OD1 2.99Å; R708-D710 IonicContact CZ-OD2 2.79Å; R708-D710 VanDerWaalsContact NH1-CG 3.31Å; R708-D710 IonicContact NH1-OD1 3.98Å; R708-D710 PolarHBondContact NH1-OD1 2.84Å; R708-D710 IonicContact NH1-OD2 3.98Å; R708-D710 PolarHBondContact NH1-OD2 3.4Å; R708-D710 PolarHBondContact O-N 3.06Å
711F28.7Very low31.1Very low171 Ų171149.6 Ų149.675%0.7573%0.73SS**  trans-43.8151.8-168.8-55.4-99.1000119.1Y713F711-Y713 HydrophobicContact CD1-CD2 4.35Å; F711-Y713 HydrophobicContact CD1-CE2 4.3Å
712Y29.8Very low31.2Very low234 Ų234149.4 Ų149.492%0.91873%0.73SS**  trans-119.8142.4145.5-78.1-83.5000110.9
713Y26.5Very low31.3Very low195 Ų195150.7 Ų150.777%0.76573%0.732SS**  trans-144.6150.8-178.5-113.8-85.6000108F711F711-Y713 HydrophobicContact CD1-CD2 4.35Å; F711-Y713 HydrophobicContact CD1-CE2 4.3Å
714S27.8Very low31.1Very low99 Ų99148.5 Ų148.569%0.69272%0.72SS**  trans60.8158.7167.356.60000116.9
715E28.3Very low30.5Very low156 Ų156152.3 Ų152.373%0.72973%0.726SS**  cis-169.8169.7-12.9-104.6161-141.800106.6
716F28.8Very low30.6Very low172 Ų172153 Ų15375%0.75473%0.729SS**  cis-158.6155.10.5-130.2-53.2000108.9
717Y25.5Very low30.4Very low138 Ų138148.6 Ų148.654%0.54172%0.721SS.*SBendtrans-92.7146.5153.2-96.2-87.5000109.4E1014Y717-E1014 PolarHBondContact OH-OE1 3.09Å
718P41.8Very low30.2Very low86 Ų86153.6 Ų153.656%0.55873%0.725SS**  cis-144.5110.4-39.135.5-16000113.4
719W29.7Very low30.2Very low257 Ų257151.3 Ų151.397%0.97373%0.727SS**  trans-143.6105.9162.9-79.5104.5000112.8
720N28.6Very low30.1Very low151 Ų151149 Ų14981%0.80773%0.725SS**  trans-80.1169.9162.1-104.1-35.9000109.6
721P41Very low30Very low99 Ų99148.5 Ų148.564%0.64374%0.735SS**  cis-144.3-158.233.240.3-17.4000116.3
722D31.7Very low30.4Very low135 Ų135145.8 Ų145.872%0.72273%0.734SS**  trans87.872.8159.8-57.1-13.5000119.1
723E31.1Very low30.3Very low158 Ų158140.1 Ų140.174%0.73872%0.724SS**  35131.7124.3-51.5-179.1165.200120.8
724N30.3Very low30.3Very low109 Ų109138.7 Ų138.758%0.58373%0.726SS**  179139.291.4-101.1-69.5000117.6
725F26.5Very low30.1Very low187 Ų187138.7 Ų138.782%0.8273%0.726SS**  trans66.9143.1160.1-60.3-58.3000123.6
726P30.9Very low30.2Very low104 Ų104137.1 Ų137.168%0.67573%0.729SS**  trans-121.6173.1-171.444.5-32.8000117.1
727S27.1Very low30.3Very low92 Ų92134.5 Ų134.564%0.64373%0.73SS**  trans51.2111.1143.367.50000121.8
728Y28.9Very low30.5Very low227 Ų227134.5 Ų134.589%0.8974%0.744SS**  trans-166.1148.3135.6-74.7-54.9000109
729N30.3Very low29.8Very low134 Ų134139.9 Ų139.972%0.71776%0.762SS**  cis-163.1164.8-32.3-152.3-7.3000108.8
730T30.6Very low29.7Very low126 Ų126132.5 Ų132.577%0.77375%0.75SS**  trans58.6116.9164.930.20000120.4
731A26.5Very low29.7Very low89 Ų89136.8 Ų136.874%0.73675%0.754SS**  trans-79-173.514600000109.6
732P35.7Very low28.9Very low113 Ų113134.9 Ų134.973%0.73475%0.753SS**  cis-136.7-166.71.239.6-18.6000114.7
733T27.9Very low28.6Very low116 Ų116138.5 Ų138.571%0.71276%0.758SS**  trans70.3104.4156.1-48.10000118.4
734M26.8Very low28.3Very low165 Ų165141.3 Ų141.381%0.81376%0.764SS**  179.8139.4124.5-92-87.679.600108.8
735S23.4Very low28.1Very low99 Ų99140.9 Ų140.969%0.69277%0.765SS**PPolyproline II helixtrans-82.1131.5175.838.40000111.1P737S735-P737 WeakPolarHBondContact O-CD 3.46Å
736P30.2Very low28.1Very low122 Ų122140.1 Ų140.179%0.79277%0.769SS**PPolyproline II helixtrans-78.3122.9171.430.2-31.5000110.3
737P31.7Very low27.9Very low118 Ų118141.6 Ų141.677%0.76677%0.771SS**PPolyproline II helixtrans-71.8152.9163.431.8-33.5000110.5S735 E739S735-P737 WeakPolarHBondContact O-CD 3.46Å; P737-E739 PolarHBondContact O-N 2.84Å
738T29.5Very low27.9Very low137 Ų137141.7 Ų141.784%0.8478%0.778SS**  trans-29.1122174.6-52.10000116.7
739E27.8Very low27.8Very low200 Ų200136.6 Ų136.694%0.93577%0.77SS**  trans-127.1122.7149.3-77.5-153.2148.700111.4P737P737-E739 PolarHBondContact O-N 2.84Å
740S26.4Very low27.5Very low102 Ų102141 Ų14171%0.71378%0.776SS**  trans-143.2105.1167.1-177.30000108.7
741R28.7Very low27.7Very low240 Ų240139.3 Ų139.391%0.90677%0.768SS**  trans68.8100174.9-56.4-178.9175.2-170.7-2.1117.6
742G25.4Very low27.8Very low60 Ų60143 Ų14362%0.61977%0.77SS**  trans-67.4174.3137.100000111.3
743Y25.4Very low27.5Very low211 Ų211146.2 Ų146.283%0.82778%0.775SS**  cis-149134.315.1-70.6-103.5000111
744Y25.2Very low27.3Very low217 Ų217145.3 Ų145.385%0.85177%0.773SS**  -162.6141.7102.4-122.3-87.4000110.3
745V26.2Very low27.2Very low100 Ų100144.2 Ų144.261%0.60677%0.771SS**  trans-121.5142.4179.4172.10000108.7N747V745-N747 WeakPolarHBondContact CG1-OD1 3.34Å
746N24.8Very low27.4Very low170 Ų170147 Ų14791%0.90978%0.778SS**  trans-141.6125.2157.5-125.3-10.2000108.2
747N28.4Very low27.2Very low135 Ų135151.1 Ų151.172%0.72278%0.783SS**  trans-113.1136.2-165-82.2-19.9000113.1V745 V749V745-N747 WeakPolarHBondContact CG1-OD1 3.34Å; N747-V749 HydrophobicContact CB-CG2 4.48Å
748A25.2Very low27.2Very low95 Ų95150.8 Ų150.879%0.78578%0.781SS**  trans-148.4125.2144.800000107.5
749V27.1Very low26.9Very low119 Ų119149.1 Ų149.172%0.72178%0.775SS**  cis72.9114.334.9-172.60000109.5N747N747-V749 HydrophobicContact CB-CG2 4.48Å
750R23.9Very low26.7Very low226 Ų226150.9 Ų150.985%0.85377%0.773SS**  cis-156.3-151.813.8-145.9-175.2-179.7156.70.1112.8
751P35.2Very low26.7Very low92 Ų92152.8 Ų152.860%0.59778%0.775SS**  -104.8-144.4-112.638-15.1000114.5
752E29.1Very low26.5Very low165 Ų165146 Ų14677%0.77177%0.765SS**  trans82.1133171.4-67.1158.9-14200116
753E29.1Very low26.5Very low181 Ų181154.3 Ų154.385%0.84678%0.778SS**  cis-153.5173-18.7-138.7172.7-144.400110.5
754S24Very low26.5Very low97 Ų97149.8 Ų149.868%0.67877%0.768SS**  trans-75.9142.2-173.5550000114.4
755N25.1Very low26.6Very low142 Ų142146.5 Ų146.576%0.75976%0.76SS**  -172.2131.1126.9-96.2-40.7000115
756L26.6Very low26.6Very low159 Ų159149.2 Ų149.283%0.83276%0.759SS**  trans46.3106.7143.6-57.4169.4000120.4
757F25.8Very low27Very low208 Ų208147.7 Ų147.791%0.91275%0.75SS**  trans-63.9162.4155.9-69.3-84.7000111.9
758P32.2Very low27.3Very low111 Ų111150.2 Ų150.272%0.72176%0.757SS**  -142.8163.2101.639.4-27.3000116.7
759S22.6Very low27.5Very low101 Ų101150.3 Ų150.371%0.70676%0.758SS**  trans52.698.2150.460.50000121.1
760W25.3Very low27.7Very low237 Ų237154 Ų15490%0.89877%0.768SS**  38.4112.8101.3-140.6-43.5000117.1
761N25Very low28Very low142 Ų142147 Ų14776%0.75977%0.765SS**  -179.8161.8118.8-97.6-47.4000117.2
762S24.1Very low28.1Very low99 Ų99151.4 Ų151.469%0.69278%0.778SS**  trans4690.2157.259.80000119.2
763W25.9Very low28.3Very low233 Ų233152.8 Ų152.888%0.88378%0.781SS**  30.3119.4112-82.963.7000119.6
764D26.9Very low28.2Very low116 Ų116153.7 Ų153.762%0.6279%0.785SS**  76.8166.9123.3-161.719000118.4
765H26.5Very low28.3Very low148 Ų148159.5 Ų159.569%0.68579%0.793SS**  trans81.9133.4172.8-61.41.3000116
766R26.3Very low28.6Very low157 Ų157163.7 Ų163.759%0.59280%0.798SS**  cis-170.8-172.2-10.2-161.1-172.1-152.1-174.916.8108.9
767I32.4Very low29.3Very low138 Ų138160.8 Ų160.871%0.70879%0.789SS**  trans88.692.5156.1-44.2-168.1000115.8A769I767-A769 HydrophobicContact CG2-CB 4.49Å
768Q36.2Very low29.2Very low189 Ų189160.9 Ų160.988%0.88378%0.784SS**  trans-68.1141.1139.4-65.4171.8-50.300109.1
769A28.8Very low28.8Very low97 Ų97164.3 Ų164.380%0.80279%0.788SS**  trans-127.3148.6158.800000108.6I767I767-A769 HydrophobicContact CG2-CB 4.49Å
770Q30.6Very low28.8Very low197 Ų197165.1 Ų165.192%0.92179%0.785SS**  trans-140.5130.9-160.2177.1-177.6-67.600110.9
771G30.3Very low28.8Very low78 Ų78164 Ų16480%0.80478%0.78SS**  trans169.5138.7171.200000114.1
772Q36.6Very low28.9Very low184 Ų184163.8 Ų163.886%0.8678%0.779SS**  trans-118.6145.1166.9-73.3-172-7.200109.8
773K34.2Very low28.9Very low195 Ų195164.9 Ų164.985%0.84878%0.776SS**  157.5136.8124.3-88.6168.4179.51780111
774E27.3Very low28.8Very low199 Ų199163.8 Ų163.893%0.9377%0.772SS**  -173.7179114-103.3-169.9164.700112.6
775R26.7Very low28.8Very low220 Ų220163.5 Ų163.583%0.8377%0.771SS**  trans-150.594-157.4-174.8-170171.6-177-2.1115.8
776R30.3Very low28.6Very low229 Ų229164.2 Ų164.286%0.86477%0.774SS**  trans66.8177.1155.3-55.5-174177-172.1-1.9114.8
777P42.2Very low28.7Very low99 Ų99161.2 Ų161.264%0.64378%0.783SS**  cis-137.9-176.84.832.5-7.9000118.1
778Y22.4Very low28.4Very low210 Ų210161.3 Ų161.382%0.82479%0.79SS**  trans68.8141.9170.7-57.2-71.7000116.8
779F25.2Very low27.9Very low183 Ų183160.2 Ų160.280%0.80378%0.784SS**  cis-152.7158.142.8-128.1-84.5000115.4
780N22.5Very low27.6Very low118 Ų118162.8 Ų162.863%0.63178%0.784SS**  trans62.6120.9153.1-110.3-18.9000124.9
781R25.5Very low27.2Very low212 Ų212161.3 Ų161.380%0.878%0.777SS**  trans54.5133.8137.9-76.7175.2171-158.7-4.6120.9
782N25.6Very low27Very low139 Ų139166.5 Ų166.574%0.74378%0.778SS**  cis70.1146.241.9-62.30.8000112.6
783I24.1Very low26.4Very low122 Ų122162 Ų16263%0.62677%0.772SS**  cis-168.4150.6-2.5-118.4169.8000108.8
784W23.9Very low26.3Very low209 Ų209158.9 Ų158.979%0.79277%0.771SS**  trans59.9171.6159.6-68.116000116.7
785D26.5Very low26.2Very low111 Ų111154 Ų15459%0.59477%0.765SS**  cis-135.1141.30.1-109.2-37.6000108.1
786Q23.5Very low26Very low163 Ų163154.9 Ų154.976%0.76277%0.768SS**  77.710976.6-162.4-177.1126.100115.8
787A27.5Very low26.7Very low94 Ų94148.7 Ų148.778%0.77776%0.758SS**  trans26.2130.1154.900000122
788T27Very low26.3Very low140 Ų140149.5 Ų149.586%0.85976%0.763SS**  trans-127.1107.7158.6-7.90000112.3
789H25Very low26.5Very low165 Ų165146.4 Ų146.476%0.76476%0.761SS**  trans37.6110.8149.9-83.5-105.3000122.3
790L23.8Very low26.5Very low152 Ų152146.7 Ų146.780%0.79677%0.765SS**  20.9118.1114.4-80.7152.2000118.3
791Q22.2Very low26.7Very low166 Ų166150.7 Ų150.778%0.77678%0.776SS**  -170.9158.696.3-105.2-149.619.800115.4
792K26Very low26.7Very low187 Ų187143.9 Ų143.981%0.81377%0.772SS**  trans81.685.8167.8-66.6177.9-177.9177.90119.7
793A22.9Very low26.6Very low90 Ų90145 Ų14574%0.74478%0.779SS**  -75.1165125.900000109.1
794P31.9Very low26.6Very low128 Ų128147.9 Ų147.983%0.83179%0.789SS**  -121.8169.564.537.9-28.2000113.2
795A25.2Very low27.6Very low96 Ų96142.3 Ų142.379%0.79378%0.78SS**  cis-136.2-179.317.800000114.9
796R23.5Very low27.4Very low239 Ų239147.2 Ų147.290%0.90279%0.792SS**  trans-145.7172.7-177.2-97-174.5169.3-163.4-2.2108.6
797P43.8Very low27.2Very low100 Ų100143.9 Ų143.965%0.64979%0.786SS**  cis-106.1-121.8-32.241.9-26.9000106.5
798P34.4Very low26.9Very low115 Ų115143.9 Ų143.975%0.74778%0.781SS**  cis-84.9175.2-18.538.7-35.9000111.9
799D26.9Very low26.7Very low146 Ų146143.6 Ų143.678%0.78177%0.774SS**  cis73.185.6-6.3-70.9-36.2000122
800Q24.5Very low27.1Very low189 Ų189141.6 Ų141.688%0.88377%0.774SS**  trans-138.6127.5134.6-65.9-167.8100108
801K26Very low27.6Very low201 Ų201135.1 Ų135.187%0.87474%0.741SS**  cis87.695.134.9-170-171.7177.6-175.30113.2
802G25.7Very low27.8Very low69 Ų69132.6 Ų132.671%0.71174%0.736SS**  trans-172.793.9173.900000115.8
803N24.5Very low27.9Very low164 Ų164125.1 Ų125.188%0.87771%0.712SS**  trans30.5154.1141.4-52.9-11.2000124.1
804Q22.9Very low28.1Very low181 Ų181128.3 Ų128.385%0.84672%0.716SS**  trans-78.5-169.5161.4-59.1-178.7-20.500111.7
805P45.3Very low27.9Very low93 Ų93128.4 Ų128.460%0.60471%0.705SS**  -125.2-144.1-62.537.3-20.3000111.2
806Y22.4Very low27.9Very low214 Ų214132.2 Ų132.284%0.83970%0.704SS**  trans76.7156.1176.6-63.3-77.9000116
807S20.5Very low28.2Very low93 Ų93127.9 Ų127.965%0.6570%0.698SS**  cis-164149.7-13.443.80000113.4
808S20.8Very low27.4Very low94 Ų94129.1 Ų129.166%0.65771%0.707SS**  trans39.6131.6145.865.10000124.2
809N22.1Very low27.3Very low134 Ų134130.2 Ų130.272%0.71770%0.703SS**  trans72.4116.9145.2-59.8-10.8000120.3P811N809-P811 VanDerWaalsContact O-CD 3.24Å; N809-P811 WeakPolarHBondContact O-CD 3.4Å
810T34.7Very low28.2Very low123 Ų123133.3 Ų133.376%0.75570%0.704SS**  trans-73.3130.2162.438.30000112.6N827T810-N827 PolarHBondContact O-ND2 2.9Å
811P32.8Very low28.4Very low16 Ų16133 Ų13310%0.10470%0.702CS.*  trans-145.4155.8178.645.4-26.1000114.5N809 D825 L826 N827N809-P811 VanDerWaalsContact O-CD 3.24Å; N809-P811 WeakPolarHBondContact O-CD 3.4Å; P811-D825 WeakPolarHBondContact CD-OD2 3.39Å; P811-D825 HydrophobicContact CG-CB 3.92Å; P811-D825 CarbonylContact O-C 3.53Å; P811-D825 WeakPolarHBondContact O-CA 3.46Å; P811-D825 WeakPolarHBondContact O-CB 3.08Å; P811-L826 VanDerWaalsContact C-CA 3.49Å; P811-L826 HydrophobicContact CB-CD2 4.15Å; P811-L826 HydrophobicContact CG-CD2 4.06Å; P811-L826 HydrophobicContact CG-CG 4.35Å; P811-L826 PolarHBondContact O-N 2.99Å; P811-N827 HydrophobicContact CB-CB 3.62Å; P811-N827 VanDerWaalsContact CB-N 3.25Å; P811-N827 WeakPolarHBondContact CB-ND2 3.34Å
812V27.9Very low28.6Very low113 Ų113132.8 Ų132.869%0.68570%0.704SS**  trans-142.1126.3-172.6-173.30000116.7L826 N827V812-L826 VanDerWaalsContact C-C 3.42Å; V812-L826 CarbonylContact C-O 3.59Å; V812-L826 VanDerWaalsContact CA-N 3.33Å; V812-L826 PolarHBondContact N-O 3.39Å; V812-L826 CarbonylContact O-C 3.56Å; V812-N827 VanDerWaalsContact N-N 3.17Å
813G27.2Very low28.7Very low29 Ų29133.2 Ų133.230%0.29971%0.709SS.*  trans-140.3169.7-165.300000121.6K367 L826K367-G813 WeakPolarHBondContact CE-O 2.97Å; K367-G813 PolarHBondContact NZ-O 3Å; G813-L826 WeakPolarHBondContact CA-O 3.24Å; G813-L826 PolarHBondContact N-O 3.11Å
814L27.4Very low29Very low157 Ų157134.6 Ų134.682%0.82271%0.71SS**  trans-86.5178.2-174.5-79.5161.3000113.4
815Q27Very low29.5Very low130 Ų130130.5 Ų130.561%0.60769%0.694SS**  cis-171.4156.4-12.2157.2-179.1110.600109.8
816K26.4Very low28.7Very low177 Ų177132.1 Ų132.177%0.7770%0.697SS**  trans68.2114.2165.2-80.6159.1-170.9154.10118.6
817N28.5Very low29.1Very low147 Ų147125.7 Ų125.779%0.78668%0.677SS**  trans-40146.5163.8-54.4-0.9000113.3
818P27.2Very low29.4Very low127 Ų127131 Ų13183%0.82568%0.684SS**  -82.4163.565.323-34.9000115.4
819M33.7Very low29.6Very low137 Ų137129.8 Ų129.868%0.67569%0.687SS**SBendtrans-63.7156.6170.3-174.2168.537.600110.1
820W45.1Very low29.6Very low211 Ų211132.8 Ų132.880%0.79970%0.699SS**SBendtrans85104.8172.2-44.1102.3000118.3
821H27.7Very low29.3Very low182 Ų182135 Ų13584%0.84370%0.701SS**  trans66.3166.5162-79.9-80.2000120.2
822E31.2Very low28.8Very low197 Ų197141.9 Ų141.992%0.92173%0.733SS**  trans68.6155.8168.9-65.8178.2178.600119.8
823G27.3Very low28.8Very low79 Ų79142.9 Ų142.981%0.81474%0.74SS**  trans128.7119.5166.600000116.5
824E31.7Very low28.6Very low193 Ų193152.2 Ų152.290%0.90277%0.766SS**  trans-104161.4174.4-62163.7134.100111.4
825D33.3Very low28.3Very low95 Ų95148.5 Ų148.551%0.50875%0.745SS.*  trans10.3132.1141-81.919.2000121.5P811P811-D825 WeakPolarHBondContact CD-OD2 3.39Å; P811-D825 HydrophobicContact CG-CB 3.92Å; P811-D825 CarbonylContact O-C 3.53Å; P811-D825 WeakPolarHBondContact O-CA 3.46Å; P811-D825 WeakPolarHBondContact O-CB 3.08Å
826L28.7Very low28.2Very low126 Ų126147.4 Ų147.466%0.6674%0.744SS**  trans179.9121.8148.6-99.6171.4000118.5P811 V812 G813P811-L826 VanDerWaalsContact C-CA 3.49Å; P811-L826 HydrophobicContact CB-CD2 4.15Å; P811-L826 HydrophobicContact CG-CD2 4.06Å; P811-L826 HydrophobicContact CG-CG 4.35Å; P811-L826 PolarHBondContact O-N 2.99Å; V812-L826 VanDerWaalsContact C-C 3.42Å; V812-L826 CarbonylContact C-O 3.59Å; V812-L826 VanDerWaalsContact CA-N 3.33Å; V812-L826 PolarHBondContact N-O 3.39Å; V812-L826 CarbonylContact O-C 3.56Å; G813-L826 WeakPolarHBondContact CA-O 3.24Å; G813-L826 PolarHBondContact N-O 3.11Å
827N29.9Very low28Very low79 Ų79140.7 Ų140.742%0.42272%0.719SS.*  trans-69.5162.3-161.3-104.3-27000117.5T810 P811 V812T810-N827 PolarHBondContact O-ND2 2.9Å; P811-N827 HydrophobicContact CB-CB 3.62Å; P811-N827 VanDerWaalsContact CB-N 3.25Å; P811-N827 WeakPolarHBondContact CB-ND2 3.34Å; V812-N827 VanDerWaalsContact N-N 3.17Å
828Y26.5Very low28.6Very low205 Ų205136.7 Ų136.780%0.80470%0.701SS**  158.1140.1106.6-96.4-77.5000114.8
829G25.9Very low28.5Very low69 Ų69136.5 Ų136.571%0.71169%0.69SS**  89.4136.7121.400000122.9
830M22.3Very low28.1Very low197 Ų197137 Ų13797%0.9768%0.684SS**  trans84.6159.4145.5-143.1150.5-177.100119.7
831Q27.6Very low27.3Very low169 Ų169132.5 Ų132.579%0.7967%0.672SS**  trans-105.6158.1-171.2-57.8173.96.900111.5
832M23.2Very low27.2Very low160 Ų160130.8 Ų130.879%0.78866%0.664SS**  147.4164.4118.9-77.7-154.2-65.200115.1
833T26Very low26.9Very low134 Ų134125 Ų12582%0.82265%0.645SS**  trans72.2105.3153.723.20000120.5
834R23.5Very low26.7Very low225 Ų225124.2 Ų124.285%0.84963%0.627SS**  trans-64.2129152.6179.6-160.3-164.1-179.84.9110.5
835M22.1Very low26.5Very low79 Ų79120.4 Ų120.439%0.38961%0.608SS.*  169.1144.2119-85.6-171.9-80.900112.1N1126M835-N1126 HydrophobicContact CB-CB 4.47Å; M835-N1126 VanDerWaalsContact CB-CG 3.47Å; M835-N1126 WeakPolarHBondContact CB-OD1 3.46Å; M835-N1126 PolarHBondContact O-ND2 3.48Å; M835-N1126 PolarHBondContact O-OD1 2.79Å
836N24.7Very low26.6Very low107 Ų107120.1 Ų120.157%0.57261%0.611SS**  trans30.2145.7148.7-49.1-7.8000123.1G1124 T1125 N1126N836-G1124 WeakPolarHBondContact CB-O 3.17Å; N836-T1125 WeakPolarHBondContact O-CB 3.47Å; N836-T1125 VanDerWaalsContact O-CG2 3.23Å; N836-T1125 WeakPolarHBondContact O-CG2 3.16Å; N836-N1126 PolarHBondContact O-OD1 3.25Å
837S22.5Very low26.3Very low36 Ų36119.8 Ų119.825%0.25261%0.61SS.*  trans164.2-165.4139-59.90000120R1123 G1124 T1125S837-R1123 WeakPolarHBondContact O-CG 3.2Å; S837-R1123 VanDerWaalsContact O-CZ 3.25Å; S837-R1123 PolarHBondContact O-NE 1.92Å; S837-G1124 WeakPolarHBondContact CB-O 3.32Å; S837-G1124 VanDerWaalsContact OG-C 3.25Å; S837-G1124 PolarHBondContact OG-N 2.97Å; S837-G1124 PolarHBondContact OG-O 2.98Å; S837-T1125 VanDerWaalsContact CB-CB 3.49Å
838P40.8Very low26.2Very low63 Ų63125.3 Ų125.341%0.40963%0.63SS.*  -123.3168.4-8810.511.1000116.2R1123P838-R1123 VanDerWaalsContact C-CD 3.48Å; P838-R1123 WeakPolarHBondContact CA-O 3.22Å; P838-R1123 PolarHBondContact O-NH1 3.05Å
839E25.8Very low26.5Very low124 Ų124123.2 Ų123.258%0.57963%0.631SS**  trans60.4164168.4-71.8-178136.600117.5R1123E839-R1123 PolarHBondContact N-O 2.57Å; E839-R1123 VanDerWaalsContact O-CD 3.27Å; E839-R1123 WeakPolarHBondContact O-CD 3.16Å; E839-R1123 PolarHBondContact O-NH1 2.91Å; E839-R1123 VanDerWaalsContact O-NH1 3.09Å
840R24.8Very low26.6Very low147 Ų147125.4 Ų125.456%0.55563%0.633SS**  cis151.7148.2-16.6-141.1-176.7171.1160.2-2.3104.2
841E27.4Very low26.9Very low117 Ų117125.2 Ų125.255%0.54763%0.63SS.*  cis-140.9-178-2-154142.8-139.900109.7L1121E841-L1121 HydrophobicContact CG-CD1 4.45Å
842H26.9Very low26.7Very low146 Ų146120.4 Ų120.468%0.67662%0.615SS**  trans90.7147.3-170.1-50.8-49.3000115.3F1120H842-F1120 WeakPolarHBondContact O-CB 3.41Å; H842-F1120 VanDerWaalsContact O-CD1 3.22Å; H842-F1120 WeakPolarHBondContact O-CD1 3.39Å
843S23.9Very low27.3Very low75 Ų75123.6 Ų123.652%0.52462%0.62SS.*  172.9138.6-78.458.40000109.9E1119S843-E1119 PolarHBondContact N-OE2 2.78Å
844S24.2Very low27.8Very low62 Ų62119.4 Ų119.443%0.43460%0.595SS.*  cis-152.9145.122.554.40000112.6P1117 F1118 E1119S844-P1117 CarbonylContact O-C 3.39Å; S844-P1117 VanDerWaalsContact O-C 3.31Å; S844-F1118 CarbonylContact O-C 3.31Å; S844-F1118 VanDerWaalsContact O-CA 3.29Å; S844-F1118 WeakPolarHBondContact O-CA 3.41Å; S844-F1118 VanDerWaalsContact O-CB 3.29Å; S844-F1118 WeakPolarHBondContact O-CB 2.96Å; S844-F1118 PolarHBondContact O-N 3.38Å; S844-E1119 CarbonylContact C-O 3.19Å; S844-E1119 WeakPolarHBondContact CA-O 2.95Å; S844-E1119 PolarHBondContact O-N 2.65Å
845F26.3Very low28Very low114 Ų114113.5 Ų113.550%0.559%0.588SS.*  trans-39.4172172-74.9-75.4000119P1117 E1119 F1120F845-P1117 CarbonylContact C-O 3.12Å; F845-E1119 PolarHBondContact N-O 2.93Å; F845-F1120 WeakPolarHBondContact CE2-O 3.49Å; F845-F1120 WeakPolarHBondContact CZ-O 3.03Å
846P35.1Very low28.2Very low89 Ų89113 Ų11358%0.57860%0.603SS**  cis-138.6-177.211.627.1-1.1000119.2
847D23.7Very low28.5Very low119 Ų119115.5 Ų115.564%0.63661%0.611SS**  trans-41.9162.3166.4-45.6-87.2000119.2
848F26.3Very low29Very low194 Ų194121.9 Ų121.985%0.85164%0.635SS**  173.8141.2105.9-97.3-70.7000112.9
849I34.2Very low28.6Very low161 Ų161125.7 Ų125.783%0.82665%0.647SS**  trans-105.4126166-65.4173.5000108.8
850P26.3Very low28.8Very low116 Ų116123.4 Ų123.475%0.75365%0.649SS**  -138.4158.6128.636.4-24.7000113.9
851Q29.5Very low29Very low192 Ų192125.4 Ų125.490%0.89766%0.664SS**  trans-81.6133.8172.5-58.4167.3-6000111.1
852S23.3Very low29Very low68 Ų68126.5 Ų126.548%0.47667%0.673SS.*  trans-170.5143.4136.854.10000113.2H586H586-S852 PolarHBondContact O-OG 3.37Å
853Y35.7Very low29Very low227 Ų227127 Ų12789%0.8967%0.674SS**  trans-84.8151.1173.6-81.1-94000112.1
854P37.6Very low29.2Very low47 Ų47130.8 Ų130.831%0.30568%0.683SS.*  -145.9168.6124.438.3-23.5000112.5P587P587-P854 HydrophobicContact CB-CG 3.84Å; P587-P854 HydrophobicContact CG-CG 4Å
855S26.6Very low29.3Very low101 Ų101134.6 Ų134.671%0.70670%0.698SS**  cis-169.7175.1-20.957.80000107.9
856G27Very low29.1Very low67 Ų67133.5 Ų133.569%0.69170%0.704SS**  trans154.156.8176.200000113.7
857Q31.1Very low28.9Very low161 Ų161140.8 Ų140.875%0.75272%0.72SS**  68.7115.996.9-74.4-164.7-21.200115.1
858K31.6Very low29.1Very low170 Ų170147 Ų14774%0.73974%0.735SS**  -167.2131.194.1-86.2-158.2173.3-129.60109.4
859E33.8Very low29.1Very low142 Ų142141.2 Ų141.266%0.66473%0.73SS**  56.312785.4-57.2178.5129.700112.8
860A30.3Very low28.9Very low77 Ų77138.9 Ų138.964%0.63673%0.728SS**  cis-153.9171.6-9.600000107
861H27.7Very low28.8Very low188 Ų188138.8 Ų138.887%0.8773%0.729SS**  cis-158.2172.948.5-73.3-89.6000112.1
862L27.7Very low28.8Very low140 Ų140135.2 Ų135.273%0.73372%0.723SS**  trans-113.8169.4-175.9-73.6153.7000113.2
863F26.6Very low29.1Very low157 Ų157139.3 Ų139.369%0.68975%0.746SS**  trans87.8120.1149.2-57.2-51.2000122.2
864H28.1Very low28.6Very low155 Ų155131.3 Ų131.372%0.71873%0.733SS**  64.6153.3123.3-65.7-32.3000121.9
865L26.4Very low28Very low141 Ų141134.8 Ų134.874%0.73876%0.758SS**  cis-163.2156.7-25.4-165.180.3000108.7
866S23.5Very low28.1Very low92 Ų92135 Ų13564%0.64376%0.76SS**  trans50.1113.315060.30000122.4
867R29.3Very low28.5Very low241 Ų241139 Ų13991%0.90977%0.77SS**  20.2126.2124-65.7179.2169.1-164.3-2.7119.8
868R28.7Very low28.2Very low250 Ų250134.3 Ų134.394%0.94377%0.766SS**  -175.7140.3110.2-95.1166.9-173.4-155.21.6107.4
869G26.2Very low28.6Very low73 Ų73131.9 Ų131.975%0.75377%0.768SS**  97.7147.98100000109.6
870S30.8Very low28.4Very low112 Ų112133.8 Ų133.878%0.78377%0.773SS**  cis-167155.6-0.748.60000111.5
871C23.6Very low28.4Very low114 Ų114135.9 Ų135.977%0.7777%0.774SS**  trans31.1124.2145.8-60.70000122.8
872C29.1Very low28.6Very low116 Ų116133.6 Ų133.678%0.78477%0.768SS**  62.4112.6124.5-53.30000121.2
873T30Very low29.1Very low155 Ų155132 Ų13295%0.95177%0.766SS**  -177.8157.1119.4200000108.5
874G24.2Very low29.2Very low59 Ų59132 Ų13261%0.60877%0.773SS**  cis157.3150.4-0.900000109.6
875S26.1Very low29.3Very low119 Ų119129.2 Ų129.283%0.83278%0.776SS**  trans64.3123.6178.6-55.60000116
876S27.3Very low29.5Very low107 Ų107128.9 Ų128.975%0.74878%0.775SS**  cis86.8100.533.383.20000115.8
877T36.1Very low29.9Very low149 Ų149131.4 Ų131.491%0.91478%0.776SS**  trans-148132.7134.7-20.40000108.6
878G26Very low29.9Very low64 Ų64125.5 Ų125.566%0.6676%0.763SS**  trans-107.3-147.515600000108.5
879P38.4Very low29.9Very low119 Ų119123.4 Ų123.477%0.77376%0.756SS**  cis-125.3-171.8-22.140.5-26.5000111.3
880K29.4Very low30.1Very low181 Ų181126 Ų12679%0.78776%0.758SS**  trans70.6153165.3-77.4-175.9166.6-162.30116.9
881D30.5Very low30.4Very low121 Ų121125.7 Ų125.765%0.64775%0.753SS**  cis-133.1168.68.8-113.3-42.9000115
882N32.9Very low30.5Very low141 Ų141125.1 Ų125.175%0.75475%0.751SS**  trans-47178.9168.6-83-45.6000117.1
883P37.2Very low30.7Very low105 Ų105130.9 Ų130.968%0.68276%0.757SS**  cis-135.9170.31123.42.1000118.4
884L30.3Very low30.5Very low159 Ų159127 Ų12783%0.83275%0.748SS**  trans30.5127.1141.2-54.3168.3000118.3
885A29.6Very low30.9Very low96 Ų96132.6 Ų132.679%0.79376%0.763SS**  -174.3164.855.400000110.3
886L31Very low31.1Very low134 Ų134131.5 Ų131.570%0.70276%0.761SS**  cis-174.3135.1-16.7170.667.5000108.2
887Q31.6Very low31.7Very low145 Ų145132.3 Ų132.368%0.67876%0.764SS**  trans64.6155.7165.1-70.3178-69.700117.5
888D29.5Very low31.2Very low117 Ų117128.9 Ų128.963%0.62676%0.758SS**  cis-163.6163.7-12.8-103.6-14.3000106.1
889Y27.6Very low31.3Very low205 Ų205133.9 Ų133.980%0.80476%0.764SS**  cis-174.5142.6-19.6-151.2-101.8000105.1
890T30.5Very low30.8Very low129 Ų129134.5 Ų134.579%0.79176%0.761SS**  trans-118.6151.7166.190000107.4
891P37.8Very low30.8Very low104 Ų104133.7 Ų133.768%0.67576%0.76SS**  -163.4162.988.242.4-21.3000120.5
892S26.5Very low30.7Very low103 Ų103134 Ų13472%0.7276%0.762SS**  trans60.4120.2135.6-640000126
893Y31.8Very low30.6Very low237 Ų237130.7 Ų130.793%0.92975%0.747SS**  37.8134.9119.8-75-85.6000123.4
894G26.6Very low30.3Very low73 Ų73130 Ų13075%0.75375%0.745SS**  trans-173.9147.1154.900000113
895L32.5Very low30.4Very low176 Ų176125.1 Ų125.192%0.92172%0.723SS**  trans-137.9118.6179-92.1173.8000112.4
896A30.8Very low30.4Very low96 Ų96125.4 Ų125.479%0.79371%0.71SS**  trans59.7177.616200000116.6
897P39.6Very low30.1Very low125 Ų125129 Ų12981%0.81272%0.716SS**  cis-128.9172.2-9.641.6-27.2000115.1
898G26.1Very low30Very low77 Ų77127.1 Ų127.179%0.79472%0.715SS**  trans75174.7159.100000117.4
899E27Very low30Very low168 Ų168130.5 Ų130.579%0.78573%0.727SS**  cis-162.5129-17.2-178.9173.8162.700111.3
900N28.4Very low29.9Very low133 Ų133123.5 Ų123.571%0.71172%0.717SS**  trans56.5159.4155.2-63.4-27000123.9
901Q29.1Very low29.9Very low164 Ų164122.3 Ų122.377%0.76671%0.714SS**  trans74.1109.1162-51.2-133.6-89.700117.5
902D27.6Very low29.6Very low126 Ų126126 Ų12667%0.67472%0.721SS**  75128.687.2-61.6-52.7000112.3
903T31.8Very low30Very low72 Ų72125.1 Ų125.144%0.44272%0.715SS.*  -172.9-178.177.8-62.30000109.5T241 A242 N243T241-T903 WeakPolarHBondContact O-CG2 3.49Å; A242-T903 VanDerWaalsContact C-C 3.49Å; A242-T903 CarbonylContact C-O 3.55Å; A242-T903 HydrophobicContact CB-CG2 4.28Å; A242-T903 CarbonylContact O-C 3.01Å; A242-T903 VanDerWaalsContact O-CA 3.23Å; A242-T903 WeakPolarHBondContact O-CA 3.12Å; A242-T903 WeakPolarHBondContact O-CB 3.46Å; A242-T903 PolarHBondContact O-N 3.31Å; N243-T903 CarbonylContact C-O 3.56Å; N243-T903 VanDerWaalsContact O-O 3.05Å
904S30.4Very low29.9Very low92 Ų92122.9 Ų122.964%0.64371%0.711SS**BIsolated β-bridgetrans-145108.5-163.564.20000119.9T241T241-S904 CarbonylContact O-C 3.42Å; T241-S904 WeakPolarHBondContact O-CA 3.31Å; T241-S904 PolarHBondContact O-N 2.82Å
905P33Very low30.2Very low56 Ų56127.3 Ų127.336%0.36471%0.712SS.*  trans-121.4176172.244.4-35.4000111.8
906L29.5Very low30.2Very low102 Ų102124.2 Ų124.253%0.53470%0.7SS.*  cis94.1112.113.7-51.4163.4000114P240P240-L906 HydrophobicContact CB-CD1 3.4Å
907Y23.6Very low30.2Very low208 Ų208129.7 Ų129.782%0.81670%0.7SS**  61.8141.257.6-68.7-88.9000112
908T30.3Very low29.7Very low107 Ų107132 Ų13266%0.65670%0.7SS**  cis-153.716715.9-20.10000111.1
909E28.6Very low29.9Very low187 Ų187135.7 Ų135.787%0.87470%0.699SS**  trans45.7143.5133.7-158.2163-150.800121.9
910G26.2Very low30.1Very low58 Ų58135.6 Ų135.660%0.59870%0.703SS**  cis164.4-171.70.900000111.7
911S29.8Very low29.9Very low104 Ų104133.9 Ų133.973%0.72770%0.701SS**  trans71.3156.2175.8-45.60000116.4
912H31.8Very low30.3Very low181 Ų181131.7 Ų131.784%0.83870%0.701SS**  cis-148172.513.2-75.7-78000108.9
913S35.3Very low30.2Very low85 Ų85131.4 Ų131.459%0.59470%0.704SS**  cis-175.9175.2-26.163.30000109.2
914K31Very low29.9Very low190 Ų190132.6 Ų132.683%0.82672%0.716SS**  trans75.1133.7176.6-51.7169.5-172.7174.40114.1
915H31.3Very low29.7Very low167 Ų167134.5 Ų134.577%0.77372%0.723SS**  cis-165.3173.8-2.8-134.127.2000108.2
916T32.3Very low29.4Very low110 Ų110139.3 Ų139.368%0.67575%0.745SS**  cis-138.6-122.36.2-42.50000109.7
917R31.3Very low29.5Very low211 Ų211141 Ų14180%0.79676%0.762SS**  trans-149.6160.1173.1-65.4177.6-177.3169.8-1.9106
918H29.3Very low29.7Very low175 Ų175133.9 Ų133.981%0.8175%0.753SS**  -164.4174.160.2-91.7-89.2000113.2
919I29.4Very low29.6Very low153 Ų153137.5 Ų137.579%0.78576%0.762SS**  trans-95.8146.3-176.5-61.6156.1000111.5
920I31.6Very low29.5Very low166 Ų166139 Ų13985%0.85176%0.76SS**  trans-165.3147.3151.2-97.5143.9000109.7
921S25.6Very low29.5Very low97 Ų97142.7 Ų142.768%0.67877%0.765SS**  trans-95.7157.3-178.9-45.70000112.9
922P35.8Very low29.4Very low118 Ų118143 Ų14377%0.76677%0.768SS**  -131.6170.785.713.210.2000112.7
923T25.7Very low29.2Very low120 Ų120139.6 Ų139.674%0.73676%0.764SS**  cis88135.827.8-46.90000115.2
924S26.2Very low28.9Very low98 Ų98142.5 Ų142.569%0.68577%0.769SS**  trans61.4121.5174.347.90000117.4
925T26.4Very low28.8Very low131 Ų131140.5 Ų140.580%0.80476%0.76SS**  cis80.5110.841.770.20000116.1
926L27Very low28.7Very low157 Ų157139.4 Ų139.482%0.82276%0.757SS**  trans-170.5130.3137.7-100.5159.2000106.6
927P32Very low28.3Very low137 Ų137142.1 Ų142.189%0.8976%0.762SS**  -124.4153.883.137.5-32.8000113.1
928G26.2Very low28.1Very low60 Ų60137.8 Ų137.862%0.61976%0.755SS**  trans-158.1106.317800000114
929Q28.3Very low27.9Very low182 Ų182136.7 Ų136.785%0.8575%0.75SS**  trans-144.8113.9146-87.8-172.9-13.500106
930R27.3Very low28.4Very low219 Ų219137 Ų13783%0.82675%0.753SS**  69.212080.7-79.2-166.7177.3-177.1-1111.4
931N26.4Very low28.2Very low135 Ų135131.9 Ų131.972%0.72273%0.731SS**  cis-139.3174.45.7-55.3-70.9000108.5
932S26.3Very low28.2Very low111 Ų111134.6 Ų134.678%0.77673%0.73SS**  cis-154.7158.321.4-50.40000111.2
933S29.3Very low27.8Very low109 Ų109138.2 Ų138.276%0.76273%0.729SS**  trans59.1105.3175.3-149.20000114.1
934E29Very low28.1Very low147 Ų147139 Ų13969%0.68773%0.728SS**  51.613566.5-64.3-150.8118.700112.9
935K27.8Very low28.2Very low147 Ų147139 Ų13964%0.63972%0.721SS**  cis177.7-170.5-2.8-172-179.4-147.6156.40104.9
936M29.6Very low28.4Very low145 Ų145139.4 Ų139.471%0.71472%0.723SS**  trans67.9121.4173.8-80.483.5-179.500113.5
937E23.9Very low28.5Very low166 Ų166136.4 Ų136.478%0.77672%0.715SS**  cis58.7108.818.3-165.2-170.6-168.100112.9
938N26.4Very low28.6Very low121 Ų121135.9 Ų135.965%0.64771%0.709SS**  trans70.7157.1-159.3-43.8-70.1000110.2
939E25.6Very low28.9Very low152 Ų152140.4 Ų140.471%0.7172%0.718SS**  cis-113.2115.533.5-62.8-174.4132.400115.5F942E939-F942 WeakPolarHBondContact OE1-CE2 3.09Å
940N39.9Very low29Very low160 Ų160142.9 Ų142.986%0.85672%0.72SS**  -121.865129.3-149.46.6000106.8
941P27.9Very low29.4Very low58 Ų58143.6 Ų143.638%0.37772%0.723SS.*  -99.7173117.4-1632.5000110.6
942F25.5Very low29.8Very low153 Ų153142.4 Ų142.467%0.67172%0.716SS**  cis-120.6116.517.3-85.1-95.3000113.2E939 D944E939-F942 WeakPolarHBondContact OE1-CE2 3.09Å; F942-D944 HydrophobicContact CD1-CB 4.29Å
943R28.1Very low30.6Very low194 Ų194142.5 Ų142.573%0.73271%0.713SS**  -70.8119.1105.5-90.2-163.8-170.7-108.56.7106.2D945R943-D945 IonicContact CZ-OD2 3.7Å; R943-D945 IonicContact NH1-OD1 3.63Å; R943-D945 IonicContact NH1-OD2 2.65Å; R943-D945 PolarHBondContact NH1-OD2 3.48Å
944D30.7Very low30.7Very low136 Ų136143.2 Ų143.273%0.72772%0.715SS**  -130137.996.5-88-41.1000107.2F942F942-D944 HydrophobicContact CD1-CB 4.29Å
945D27.9Very low30.5Very low99 Ų99141.8 Ų141.853%0.52972%0.72SS.*  trans-71.6168.1176.8-63.2-96.8000110.5R943R943-D945 IonicContact CZ-OD2 3.7Å; R943-D945 IonicContact NH1-OD1 3.63Å; R943-D945 IonicContact NH1-OD2 2.65Å; R943-D945 PolarHBondContact NH1-OD2 3.48Å
946V31.1Very low30.5Very low139 Ų139139.6 Ų139.684%0.84272%0.723SS**  trans61.4122.3173.4-116.90000114.1
947S28.5Very low30.4Very low95 Ų95140.6 Ų140.666%0.66473%0.729SS**  -175.3156.352.642.30000114.8
948T34.2Very low30.6Very low125 Ų125139.1 Ų139.177%0.76773%0.727SS**  trans56.498.3149.447.80000119.8
949L34.1Very low30.5Very low155 Ų155140.2 Ų140.281%0.81273%0.733SS**  115.6136.699.9-169.167.1000118
950R29.8Very low30.7Very low234 Ų234139.8 Ų139.888%0.88373%0.73SS**  trans79.2148.4162.5-98.2176.2172.2-166.6-3.4119
951R34.8Very low30.4Very low235 Ų235140.6 Ų140.689%0.88773%0.734SS**  trans-98.3148.5-171.6-61.8174.3176.5140.7-2.2111.5
952N34.9Very low30.4Very low109 Ų109141.8 Ų141.858%0.58376%0.756SS**  -7.4140.5127.8-60.5-27.9000115.3K978N952-K978 PolarHBondContact OD1-NZ 2.8Å
953T43.8Very low30.6Very low114 Ų114143.4 Ų143.470%0.69977%0.766SS**  cis-161.6160.1-14.8-42.10000105.7
954P31.4Very low30.8Very low124 Ų124143.7 Ų143.781%0.80577%0.773SS**  -148.5-16611639-21.8000113.9
955C24.5Very low30.8Very low117 Ų117140.3 Ų140.379%0.79177%0.77SS**  trans-76.7161.7-165.1-55.70000116.8
956S27.3Very low30.8Very low101 Ų101143.1 Ų143.171%0.70678%0.783SS**  trans65127.1145.463.80000121.7
957I28Very low30.6Very low165 Ų165144.8 Ų144.885%0.84678%0.784SS**  trans75.1157.9141.2-67.8169.1000116.4
958N28.1Very low31.1Very low136 Ų136144.7 Ų144.773%0.72778%0.781SS**  trans-65.1165.3179.2-68.3-21.1000113
959N25.4Very low30.9Very low144 Ų144148.2 Ų148.277%0.7779%0.786SS**  trans91.6116.6160.1-55.9-20.3000118.2
960Q28.7Very low31.2Very low142 Ų142146.7 Ų146.766%0.66479%0.786SS**  trans54.899.5137.1-54.6-167.624.300119.9E684E684-Q960 PolarHBondContact OE1-NE2 3.19Å
961L32.8Very low31.2Very low178 Ų178144 Ų14493%0.93278%0.783SS**  54.892.6115-163.374.1000118.4
962G27.8Very low31Very low82 Ų82139.7 Ų139.785%0.84578%0.782SS**  trans-156.6151.1169.300000114
963Q29.9Very low30.5Very low188 Ų188137.8 Ų137.888%0.87979%0.788SS**  trans-115.3135.9-175.8-59.6177.6-3.200112.9
964K33.9Very low29.7Very low200 Ų200137.5 Ų137.587%0.8779%0.791SS**  157.5138.9127.7-89.6173.9175.5-177.20115.2
965G29.3Very low29.6Very low64 Ų64139.2 Ų139.266%0.6679%0.793SS**  85.191.5121.300000123.2
966I29.3Very low29.6Very low159 Ų159142.9 Ų142.982%0.81580%0.798SS**  61.7102.7123.4-56.2156.4000120.4
967M26.3Very low29.7Very low173 Ų173142.2 Ų142.285%0.85280%0.799SS**  58.5153.1118.5-135.3144.278.900122.1
968P39.4Very low29.7Very low94 Ų94141.3 Ų141.361%0.6179%0.789SS**  cis-135.5166.5-29.634.5-15.8000117.6
969F30.1Very low29.7Very low199 Ų199141.2 Ų141.287%0.87379%0.789SS**  trans63.9167.4162.8-66-59.3000117.5
970P40.2Very low29.8Very low123 Ų123141 Ų14180%0.79979%0.792SS**  cis-132.2-148.78.746.6-28.4000116.1
971E29.6Very low30.4Very low176 Ų176139.4 Ų139.482%0.82280%0.795SS**  trans-56.4167.4-169.6-93.7171.7129.400123
972V29.4Very low29.9Very low145 Ų145136.7 Ų136.788%0.87979%0.789SS**  trans66.9120.8158.2175.50000119.8
973G25.9Very low29.9Very low69 Ų69141.1 Ų141.171%0.71179%0.792SS**  trans129.1120.4138.700000119.1
974S25.4Very low29.6Very low108 Ų108140.6 Ų140.676%0.75579%0.787SS**  trans61.1129149.5-159.20000121.8
975L29.5Very low29.2Very low161 Ų161136.6 Ų136.684%0.84378%0.775SS**  trans66.5163.3154.9-78.8168000120.1
976Q26.2Very low29.2Very low193 Ų193139.3 Ų139.390%0.90278%0.775SS**  trans64.8139.9178.8-74.5-166.5-16.300118.7
977A28.3Very low29.4Very low88 Ų88139.4 Ų139.473%0.72778%0.776SS**  trans-78.7151.3-179.300000112.8
978K28.9Very low29.5Very low146 Ų146135 Ų13564%0.63578%0.775SS**  trans-162.3102.8137-111161-178.8176.70112.8N952N952-K978 PolarHBondContact OD1-NZ 2.8Å
979N27.3Very low29.1Very low134 Ų134134 Ų13472%0.71778%0.782SS**  trans37.8124.4133.4-53.16.5000120.2
980T27.3Very low29.1Very low138 Ų138132 Ų13285%0.84778%0.78SS**  trans68.2158143.744.70000119.9
981P40.8Very low28.9Very low110 Ų110129.5 Ų129.571%0.71478%0.777SS**  cis-124.4167-7.128-7.5000115.4
982C22.1Very low29.1Very low120 Ų120127.3 Ų127.381%0.81177%0.771SS**  trans8124.7152.1-49.90000119.6
983L28.3Very low29.2Very low176 Ų176126.9 Ų126.992%0.92176%0.764SS**  -149.6170.4117.5-113.5167.8000111.6
984K25Very low29.6Very low176 Ų176131.5 Ų131.577%0.76577%0.771SS**  trans-82.5171.6-167.7-142.2-176.8179-1720111.7
985N24.6Very low30.1Very low116 Ų116134.1 Ų134.162%0.6278%0.775SS**  trans72.5150.2163.3-7143000115.3
986D29.1Very low30.3Very low122 Ų122135.1 Ų135.165%0.65278%0.776SS**  cis-156.3166.64.8-119.9-29.7000113.2
987L33.7Very low30.4Very low160 Ų160134.3 Ų134.384%0.83877%0.772SS**  trans56.5117150.9-65164.6000123.1
988G29.3Very low30.6Very low80 Ų80136.9 Ų136.983%0.82577%0.772SS**  104.4142.9114.800000120.8
989G30.1Very low30.8Very low74 Ų74135.2 Ų135.276%0.76377%0.765SS**  trans93.3112177.600000112.2
990D29.7Very low30.8Very low156 Ų156136.2 Ų136.283%0.83477%0.765SS**  71.3127.450.9-163.117000113.5N992D990-N992 PolarHBondContact OD1-ND2 2.81Å
991G36.3Very low30.7Very low72 Ų72133.7 Ų133.774%0.74275%0.746SS**  trans160.179.2-167.100000114.5
992N33.9Very low30.3Very low129 Ų129131.2 Ų131.269%0.6973%0.727SS**  trans-74.7159.4-171-63.7-79.5000116.4D990D990-N992 PolarHBondContact OD1-ND2 2.81Å
993N32.1Very low30.8Very low137 Ų137131.9 Ų131.973%0.73372%0.718SS**  trans69.4102.8148-63-15.2000121.5
994I34.9Very low30.8Very low166 Ų166131 Ų13185%0.85171%0.714SS**  46.1132.6107.3-60.9175.6000118.7
995L35.3Very low30.9Very low163 Ų163128.1 Ų128.185%0.85371%0.707SS**  trans-79.4176.1-171.9-142.775000115.5
996E33.3Very low31.1Very low182 Ų182128.5 Ų128.585%0.8571%0.705SS**  trans-79.9169.2-167.3-59.6168127.800115.6
997Q28.6Very low31.2Very low176 Ų176132.4 Ų132.482%0.82271%0.71SS**  trans-116.5136.4168.5174-170.320.900107.9
998I32.3Very low30.9Very low142 Ų142130.3 Ų130.373%0.72870%0.704SS**  trans163.4174.9153.6-86.7155.8000111.5
999F32.2Very low30.9Very low111 Ų111132.8 Ų132.849%0.48770%0.704SS.*  trans-124.9174.8-168.2-77.5-128.1000112.8F201 G202F201-F999 VanDerWaalsContact C-CE1 3.4Å; F201-F999 VanDerWaalsContact C-CZ 3.41Å; F201-F999 HydrophobicContact CB-CD1 4.43Å; F201-F999 HydrophobicContact CB-CE1 3.78Å; F201-F999 HydrophobicContact CB-CZ 4.37Å; F201-F999 WeakPolarHBondContact O-CE1 3.3Å; F201-F999 WeakPolarHBondContact O-CE2 3.12Å; F201-F999 WeakPolarHBondContact O-CZ 3.46Å; G202-F999 CarbonylContact O-C 3.27Å; G202-F999 WeakPolarHBondContact O-CA 3.44Å; G202-F999 VanDerWaalsContact O-CB 3.28Å; G202-F999 WeakPolarHBondContact O-CB 3.23Å
1000E28.6Very low30.8Very low154 Ų154136.3 Ų136.372%0.7271%0.705SS**  trans68.3120.6167.7-67178.8-119.300119.1G202 H204G202-E1000 PolarHBondContact O-N 2.9Å; H204-E1000 CarbonylContact C-O 2.9Å; H204-E1000 WeakPolarHBondContact CA-O 2.95Å; H204-E1000 WeakPolarHBondContact CB-O 3.41Å; H204-E1000 PolarHBondContact N-O 2.94Å
1001D25.3Very low31Very low85 Ų85136 Ų13646%0.45570%0.702SS.*  cis-163.3137.83.4179.543000114.9Y203 H204Y203-D1001 VanDerWaalsContact CB-CA 3.4Å; Y203-D1001 WeakPolarHBondContact CD2-OD1 3.22Å; Y203-D1001 WeakPolarHBondContact CE2-OD1 3.2Å; H204-D1001 PolarHBondContact CD2-O 3.43Å; H204-D1001 PolarHBondContact NE2-O 2.99Å; H204-D1001 VanDerWaalsContact NE2-O 3.11Å
1002N32.1Very low30.8Very low59 Ų59138.8 Ų138.832%0.31671%0.705SS.*  trans88.4123.4150.8-90.9-42.3000127.5Y203 H204Y203-N1002 VanDerWaalsContact CD1-N 3.34Å; Y203-N1002 PolarHBondContact OH-OD1 2.86Å; Y203-N1002 VanDerWaalsContact OH-OD1 3.05Å; H204-N1002 VanDerWaalsContact NE2-CA 3.34Å; H204-N1002 WeakPolarHBondContact NE2-CA 3.29Å; H204-N1002 PolarHBondContact NE2-N 2.88Å; H204-N1002 PolarHBondContact NE2-O 3.3Å
1003Q31.5Very low31.3Very low133 Ų133137.3 Ų137.362%0.62170%0.702SS**  44.1133.3129-79.3-178.379.100127
1004L28.2Very low31.1Very low159 Ų159136.8 Ų136.883%0.83270%0.696SS**  -139.8160.5110.7-62.1178.8000106.4
1005N28.7Very low30.9Very low115 Ų115135.4 Ų135.462%0.61569%0.686SS**  cis-160167.1-10.2-123.740.6000105.9
1006E28.8Very low30.6Very low123 Ų123135.2 Ų135.258%0.57569%0.685SS**  cis-157152.20.2-157.8179.7135.500109.2
1007R30.2Very low30.3Very low204 Ų204131.9 Ų131.977%0.7768%0.676SS**  trans43.5111.6160.9-78.1169.8166.6124.6-2.8118.7
1008T28.2Very low30.3Very low116 Ų116131.7 Ų131.771%0.71268%0.679SS**  65.7119.751.6-42.40000114.4
1009V28.1Very low30.1Very low133 Ų133128.3 Ų128.381%0.80668%0.679SS**  trans-130.4122169.7173.50000107.7
1010D29.4Very low30Very low147 Ų147129.7 Ų129.779%0.78670%0.697SS**  trans-90.2161.2175.2-71.4-57.2000112.3
1011L32.4Very low30.6Very low150 Ų150127.5 Ų127.579%0.78570%0.696SS**  trans-114.8171.6-165.2-72.5167.7000114
1012T33.7Very low30.7Very low130 Ų130130.3 Ų130.380%0.79871%0.711SS**  trans90.8163157.378.60000117.4
1013P42.6Very low30.6Very low98 Ų98135.9 Ų135.964%0.63674%0.735SS**  -135.8-163.5-64.740.2-24.1000113.6
1014E29.6Very low30.4Very low126 Ų126133 Ų13359%0.58974%0.742SS**  trans103.8104.7160.9-57.4-122.8102.700120.1Y717Y717-E1014 PolarHBondContact OH-OE1 3.09Å
1015Q28.9Very low30.4Very low137 Ų137131.1 Ų131.164%0.6474%0.742SS**  trans47.3115.8130.2-51.2-17247.500121.8
1016L30.1Very low30.5Very low159 Ų159132.9 Ų132.983%0.83275%0.751SS**  164.9101.2120.8-86164.3000108.7
1017V26.4Very low30.8Very low112 Ų112132.6 Ų132.668%0.67976%0.76SS**  100.5125.969.1155.20000112.5
1018I29.4Very low30.9Very low172 Ų172132 Ų13288%0.88277%0.766SS**  trans71126.6177-62.2156.6000115.5
1019G27.8Very low30.8Very low71 Ų71130 Ų13073%0.73277%0.769SS**  cis-175.5165.5-3.700000116.1
1020T30.3Very low30.9Very low141 Ų141131.5 Ų131.587%0.86577%0.771SS**  trans-69.3170.5167.342.30000111.6
1021P40.7Very low30.8Very low107 Ų107133.3 Ų133.370%0.69577%0.774SS**  cis-141.2-158.430.247-26.1000114
1022D26.9Very low30.4Very low144 Ų144131.6 Ų131.677%0.7778%0.775SS**  cis-156.9176.45.8-126.9-32.4000108
1023E31.3Very low30.1Very low176 Ų176133.9 Ų133.982%0.82278%0.776SS**  cis-153.4152.51.2178-179.4-174.300109.3
1024G26.8Very low29.5Very low73 Ų73135.8 Ų135.875%0.75379%0.786SS**  trans107.7133.4148.200000117.5
1025S28.8Very low29.2Very low119 Ų119137.6 Ų137.683%0.83279%0.794SS**  cis-139163.111.453.90000113.6
1026N30.2Very low29Very low152 Ų152137.2 Ų137.281%0.81379%0.793SS**PPolyproline II helixtrans-94.1156.9-171.4-58.9-62.8000114.1
1027P34.8Very low28.6Very low118 Ų118136.9 Ų136.977%0.76679%0.792SS**PPolyproline II helixtrans-82.8157153.235.5-32.7000112.1
1028E31.6Very low28.8Very low191 Ų191140.1 Ų140.189%0.89380%0.799SS**PPolyproline II helixtrans-58.5146.8-173.5-8480.4170.500116.8
1029G27.8Very low28.6Very low75 Ų75137.5 Ų137.577%0.77380%0.796SS**  trans175.751.1170.300000116.1
1030I29.2Very low28.6Very low164 Ų164142.4 Ų142.484%0.84180%0.8SS**  trans-104.2119.3-177.1-44.9179.4000111.8
1031Q26.7Very low28.6Very low185 Ų185145.5 Ų145.586%0.86480%0.796SS**  167.4117.1119.1-90.5-173.626.800112.3
1032S25.1Very low28.1Very low113 Ų113147.4 Ų147.479%0.7980%0.795SS**  -170.3135.3111.863.10000113.8
1033Q26.2Very low28Very low179 Ų179147.6 Ų147.684%0.83679%0.792SS**  trans99.176.8142.5-152.8156.139.300121.2
1034V30Very low27.8Very low137 Ų137147 Ų14783%0.8379%0.789SS**  41.2117.9124.7-173.10000119.9
1035Q24.3Very low27.8Very low165 Ų165154.9 Ų154.977%0.77180%0.796SS**  trans-131.2142.7147.9-176.2167.4-21.800104.7
1036E23.6Very low28.5Very low129 Ų129153.9 Ų153.960%0.60379%0.787SS**  cis-138.6156.328.1-137.7137.9-129.100109.5
1037N23.1Very low28.3Very low152 Ų152151.1 Ų151.181%0.81378%0.779SS**  -154.5151.571.1-86.5-82.4000112.9
1038E30.3Very low27.8Very low180 Ų180151.8 Ų151.884%0.84178%0.776SS**  trans-71.5140.2169.7-58-175112.700112
1039S25.9Very low27.7Very low116 Ų116149.3 Ų149.381%0.81177%0.768SS**  trans-157.4122.9139.5-6.80000111.4
1040E27Very low27.7Very low174 Ų174152.3 Ų152.381%0.81377%0.766SS**  trans-4.1124.8164.4-45.4-173.9131.300118.9
1041R30.1Very low27.6Very low206 Ų206152.1 Ų152.178%0.77776%0.761SS**  -176.7140.394.5-96.9174.3-175.7-174.31.4115.9
1042Q29.2Very low27.7Very low147 Ų147150.8 Ų150.869%0.68776%0.759SS**  trans56.7105.2141.3-65.7-180-18.500122.2
1043Q26.6Very low28.4Very low149 Ų149150.4 Ų150.470%0.69675%0.753SS**  80.2145120.3-65.9-173.314.400122.6
1044Q27.4Very low28.3Very low164 Ų164146.9 Ų146.977%0.76675%0.747SS**  trans61.996.2154.8-66.9167.739.800117.3
1045R24.8Very low28.3Very low237 Ų237150.2 Ų150.289%0.89475%0.751SS**  46.5135.553.4-133-137.6177.2165.71.3113.6
1046P43.8Very low28.3Very low98 Ų98146.1 Ų146.164%0.63675%0.753SS**  -138.4-169.2-51.636.3-17.6000113.5
1047S26Very low28.3Very low94 Ų94145.8 Ų145.866%0.65777%0.765SS**  trans110.2129.4142-59.60000121.5
1048N24.8Very low28.7Very low132 Ų132147.6 Ų147.671%0.70677%0.766SS**  trans75.1117.8133.7-67.84.9000120.3
1049I29.8Very low28.8Very low139 Ų139146.9 Ų146.971%0.71377%0.767SS**  71.4122.190.1-65.4166.3000111.1
1050L28.5Very low29Very low139 Ų139146.2 Ų146.273%0.72877%0.769SS**  -167.3141.463.7-136.8146.2000112.3
1051H25.8Very low29.1Very low160 Ų160146.4 Ų146.474%0.74177%0.767SS**  trans35.5122.7158.5-66-165.3000124.5
1052L28.8Very low29Very low157 Ų157143.6 Ų143.682%0.82276%0.762SS**  23155.4111.3-66.9171.5000121.6
1053P39.7Very low29Very low104 Ų104145.6 Ų145.668%0.67577%0.771SS**  cis-147.9-170.6-18.941.4-20.6000117.6
1054C24.6Very low29Very low105 Ų105143.7 Ų143.771%0.70977%0.774SS**  trans86.9114.9145.2-71.60000125.2
1055F29.6Very low28.9Very low207 Ų207141.4 Ų141.491%0.90878%0.776SS**  trans55111.1136.6-67.1-71.1000124.2
1056G25.3Very low28.8Very low80 Ų80135.3 Ų135.383%0.82577%0.77SS**  trans-84.6-160.5175.500000119
1057S23.9Very low28.1Very low121 Ų121137 Ų13785%0.84678%0.779SS**  trans-164.7147.9165.465.60000115.5
1058K31.7Very low28.2Very low190 Ų190136 Ų13683%0.82678%0.784SS**  trans25.3120.8156.6-71.9-176.9176.11780124.4
1059L31.4Very low28.4Very low165 Ų165136.4 Ų136.486%0.86479%0.791SS**  51.5114.7123.6-73.5163.4000122.7
1060A29.3Very low28.7Very low103 Ų103135.5 Ų135.585%0.85179%0.794SS**  trans-150.9174.7142.100000110.3
1061K29.8Very low28.6Very low177 Ų177134.3 Ų134.377%0.7780%0.797SS**  trans-130.6142.9-167.1-107.1-176.5172.5-169.50113.6
1062H28.7Very low28.7Very low147 Ų147132.3 Ų132.368%0.68180%0.801SS**  trans54.9126.4162.6-49.3-58.8000116.9
1063H29.9Very low28.6Very low189 Ų189133 Ų13388%0.87581%0.806SS**  -157166.470.7-88.9-87.7000112.9
1064S26Very low28.2Very low110 Ų110131.8 Ų131.877%0.76981%0.812SS**  trans-67.6163.4171-40.30000111.7
1065S24.6Very low28.2Very low115 Ų115137.4 Ų137.480%0.80482%0.819SS**  cis-152.8175.226-62.70000112.9
1066S23.6Very low28.1Very low110 Ų110135.7 Ų135.777%0.76981%0.813SS**  trans-39.8136.7169.8174.50000115.6
1067T28Very low28Very low133 Ų133137 Ų13782%0.81681%0.81SS**  176.5134.6103.6-66.90000111.7
1068G28.8Very low28.7Very low74 Ų74135.8 Ų135.876%0.76380%0.8SS**  trans85.3104.7157.400000118.2
1069T28.6Very low28.4Very low139 Ų139135.9 Ų135.985%0.85380%0.8SS**  trans-76.6170.1148.344.60000109.7
1070P36.3Very low28.4Very low120 Ų120136.1 Ų136.178%0.77980%0.802SS**  cis-136.1-16111.744.1-26.2000114.7
1071S26.6Very low28.3Very low114 Ų114134 Ų13480%0.79779%0.791SS**  trans87.8130.3159.5-159.10000118
1072S26.6Very low28.2Very low118 Ų118133.2 Ų133.283%0.82580%0.795SS**  trans-139.6107.1168.961.30000110
1073N27.3Very low28.2Very low171 Ų171130.6 Ų130.691%0.91479%0.793SS**  trans-143.9108.2173.1-131.9-8.9000106.5
1074G30.6Very low28.1Very low79 Ų79129.8 Ų129.881%0.81479%0.793SS**  trans-174.4154.3-16900000112.2
1075R26.5Very low28.2Very low223 Ų223132.3 Ų132.384%0.84280%0.795SS**  trans-140161.3-165.4-144.6-174.8-175.7-141.13.6110.9
1076Q27.1Very low28.7Very low171 Ų171131.5 Ų131.580%0.79979%0.787SS**  trans82.5146.7161.5-66.1162.6-83.800119.2
1077S22.7Very low29Very low108 Ų108131.1 Ų131.176%0.75578%0.78SS**  trans-96-163.5172.856.80000108.9
1078P39.1Very low29Very low96 Ų96133.8 Ų133.862%0.62378%0.783SS**  cis-144.6-168.28.145.7-25.6000117.2
1079F25.6Very low29Very low192 Ų192136.3 Ų136.384%0.84278%0.78SS**  trans48.6117.1153.4-68.6-61.9000121.5
1080D30.4Very low29.6Very low169 Ų169135.2 Ų135.290%0.90478%0.775SS**  -170.7158.8118.7-91.1-23.1000108.6
1081G27.1Very low29.3Very low59 Ų59136.2 Ų136.261%0.60877%0.774SS**  cis138.860.5-7.100000115.6
1082D28.1Very low29.4Very low160 Ų160137.7 Ų137.786%0.85678%0.778SS**  trans170.8170149-97-26.6000113.5
1083S28.6Very low29.6Very low92 Ų92139.9 Ų139.964%0.64378%0.78SS**  -171.6120.8-69.654.40000111.6
1084I27.8Very low29.7Very low172 Ų172138.3 Ų138.388%0.88278%0.776SS**  trans-146.4128.9153-52.8-178.1000109.7
1085M28.5Very low29.4Very low163 Ų163142 Ų14280%0.80377%0.772SS**  trans-137.9171.7168.2-93.5-85.487.200106
1086P35.8Very low29.4Very low98 Ų98138.5 Ų138.564%0.63677%0.769SS**  cis-149.7-168.329.636.2-10.4000117.5
1087T28Very low29.4Very low103 Ų103134.6 Ų134.663%0.63277%0.766SS**  trans68.2116.2144.441.20000123.4
1088E29.5Very low29.8Very low188 Ų188136.7 Ų136.788%0.87977%0.774SS**  71.1151.8120.5-66.6178.5141.400123.6
1089N28.2Very low29.2Very low128 Ų128135.7 Ų135.768%0.68478%0.782SS**  trans-128.9137.5-178.2166.336.3000107.6
1090P40.3Very low30Very low115 Ų115135.7 Ų135.775%0.74778%0.784SS**  -145.1163.6122.336.7-22.1000115.4
1091N30.5Very low30.1Very low142 Ų142135.6 Ų135.676%0.75978%0.778SS**  trans-87.8145.8173.8-50.9-72.5000112.4
1092T30.1Very low30.3Very low144 Ų144141.2 Ų141.288%0.88379%0.786SS**  trans-152.8175.9157.30.20000112.9
1093L29Very low30.7Very low165 Ų165142.5 Ų142.586%0.86478%0.784SS**  trans-107.4-167.6-160.2-71.8159.2000114.6
1094V29.3Very low30.5Very low138 Ų138143.8 Ų143.884%0.83679%0.793SS**  trans92.8147.6172.9-174.40000115
1095E26.1Very low30.5Very low157 Ų157141.9 Ų141.973%0.73479%0.79SS**  -174.5135.1-56.6175.6171.8178.700108.3
1096L25.8Very low30.6Very low149 Ų149141.9 Ų141.978%0.7879%0.793SS**  trans50.9115.9164.8-71.8168.4000122.8
1097A26.9Very low30.1Very low88 Ų88141.7 Ų141.773%0.72780%0.8SS**  90.6136.8127.100000122.5
1098T30.4Very low30.7Very low152 Ų152144.2 Ų144.293%0.93381%0.809SS**  trans75.287.4164.5-18.30000117
1099G27.8Very low31.1Very low76 Ų76140.4 Ų140.478%0.78480%0.801SS**SBendtrans174.3177.6171.500000111.1
1100E41.1Very low31.1Very low192 Ų192142 Ų14290%0.89781%0.809SS**SBendtrans-68.4177.9161.6-63.3167.1106.700110.3
1101Q33.9Very low30.5Very low167 Ų167143.5 Ų143.578%0.7881%0.81SS**  trans88.1143.1167.7-137.9-178.144.200118.1
1102F29.9Very low30.5Very low176 Ų176141.3 Ų141.377%0.77281%0.812SS**  trans75.9155.1165.5-74.1-66.1000123
1103K37.3Very low30.3Very low188 Ų188138.2 Ų138.282%0.81781%0.809SS**  trans-58.6162-162.9-58.6168.4177.2176.50116.5
1104S23.5Very low30.3Very low118 Ų118139.8 Ų139.883%0.82581%0.812SS**  trans-121.3151.914359.60000111.6
1105T28.5Very low30.3Very low132 Ų132141.9 Ų141.981%0.8181%0.812SS**  trans-138.7148.5166.4-61.90000105.9
1106N30.7Very low31Very low163 Ų163139 Ų13987%0.87281%0.809SS**  trans-55.9141.3-176.2-64.8-18.4000113.3
1107A25Very low31.3Very low95 Ų95135.3 Ų135.379%0.78579%0.794SS**  trans-149.8136.5150.700000108.3
1108D40.7Very low31.4Very low155 Ų155138.7 Ų138.783%0.82979%0.793SS**  trans-68172.2177.9-59.6-70.2000112.4
1109P37.7Very low31.3Very low109 Ų109134.3 Ų134.371%0.70876%0.762SS**  -144.5138.5104.234-18.7000116.6
1110L28.2Very low31.3Very low162 Ų162136.3 Ų136.385%0.84875%0.749SS**  trans64.6137.8135.6-62.2172.8000118.4
1111D28.7Very low30.8Very low145 Ų145130.5 Ų130.578%0.77572%0.724SS**  cis172.5175.113.1173.832.4000107
1112A29.4Very low30.6Very low97 Ų97127.4 Ų127.480%0.80271%0.709SS**  trans66139.3164.900000120.2
1113G25.9Very low30.6Very low78 Ų78126.3 Ų126.380%0.80470%0.7SS**  trans138.185.7165.300000115.5
1114E29Very low30.2Very low198 Ų198119.7 Ų119.793%0.92569%0.685SS**  trans-57.1172.3-171.4-62.7168.8121.400118.1
1115H29.8Very low30.5Very low183 Ų183117.8 Ų117.885%0.84767%0.668SS**  trans-79.9142.5-174.2-67.2-86.9000115.3
1116S40.3Very low30.6Very low96 Ų96115.5 Ų115.567%0.67165%0.652SS**  trans5.5120.8154.259.60000120.7
1117P32.5Very low30.5Very low72 Ų72111.3 Ų111.347%0.46864%0.64SS.*  trans-86.6169.314337.9-32.9000111S844 F845S844-P1117 CarbonylContact O-C 3.39Å; S844-P1117 VanDerWaalsContact O-C 3.31Å; F845-P1117 CarbonylContact C-O 3.12Å
1118F28.1Very low31.3Very low159 Ų159116.2 Ų116.270%0.69765%0.646SS**  cis-174.2-66.2-30.5-147.2-127.7000111.8S844S844-F1118 CarbonylContact O-C 3.31Å; S844-F1118 VanDerWaalsContact O-CA 3.29Å; S844-F1118 WeakPolarHBondContact O-CA 3.41Å; S844-F1118 VanDerWaalsContact O-CB 3.29Å; S844-F1118 WeakPolarHBondContact O-CB 2.96Å; S844-F1118 PolarHBondContact O-N 3.38Å
1119E28.8Very low31Very low60 Ų60115.9 Ų115.928%0.2864%0.644SS.*  trans-156.5139.3-151.1-85.5-173.6161.200119.7S843 S844 F845S843-E1119 PolarHBondContact N-OE2 2.78Å; S844-E1119 CarbonylContact C-O 3.19Å; S844-E1119 WeakPolarHBondContact CA-O 2.95Å; S844-E1119 PolarHBondContact O-N 2.65Å; F845-E1119 PolarHBondContact N-O 2.93Å
1120F28.1Very low31Very low118 Ų118119 Ų11952%0.51865%0.649SS.*  101.2139.9119.5-91.6-138.7000127.1H842 F845H842-F1120 WeakPolarHBondContact O-CB 3.41Å; H842-F1120 VanDerWaalsContact O-CD1 3.22Å; H842-F1120 WeakPolarHBondContact O-CD1 3.39Å; F845-F1120 WeakPolarHBondContact CE2-O 3.49Å; F845-F1120 WeakPolarHBondContact CZ-O 3.03Å
1121L31.2Very low31.3Very low70 Ų70117.1 Ų117.137%0.36665%0.645SS.*  trans81.8154.8154.5-64151.4000117.8E841E841-L1121 HydrophobicContact CG-CD1 4.45Å
1122Q29Very low31.8Very low102 Ų102118 Ų11848%0.47764%0.644SS.*  cis-152.6139.310.2-152.4172.8-35.300107.8
1123R29.4Very low32.2Very low153 Ų153119.8 Ų119.858%0.57764%0.64SS**  cis74.974.846.6-130.9-172.9-177.2-143.53.4116.1S837 P838 E839S837-R1123 WeakPolarHBondContact O-CG 3.2Å; S837-R1123 VanDerWaalsContact O-CZ 3.25Å; S837-R1123 PolarHBondContact O-NE 1.92Å; P838-R1123 VanDerWaalsContact C-CD 3.48Å; P838-R1123 WeakPolarHBondContact CA-O 3.22Å; P838-R1123 PolarHBondContact O-NH1 3.05Å; E839-R1123 PolarHBondContact N-O 2.57Å; E839-R1123 VanDerWaalsContact O-CD 3.27Å; E839-R1123 WeakPolarHBondContact O-CD 3.16Å; E839-R1123 PolarHBondContact O-NH1 2.91Å; E839-R1123 VanDerWaalsContact O-NH1 3.09Å
1124G28.7Very low32.6Very low49 Ų49121.5 Ų121.551%0.50564%0.639SS.*  trans-137.5155.5173.800000116.2N836 S837N836-G1124 WeakPolarHBondContact CB-O 3.17Å; S837-G1124 WeakPolarHBondContact CB-O 3.32Å; S837-G1124 VanDerWaalsContact OG-C 3.25Å; S837-G1124 PolarHBondContact OG-N 2.97Å; S837-G1124 PolarHBondContact OG-O 2.98Å
1125T31.1Very low33.2Very low77 Ų77119.3 Ų119.347%0.47263%0.632SS.*  trans-129.9122-155.747.50000115.7N836 S837N836-T1125 WeakPolarHBondContact O-CB 3.47Å; N836-T1125 VanDerWaalsContact O-CG2 3.23Å; N836-T1125 WeakPolarHBondContact O-CG2 3.16Å; S837-T1125 VanDerWaalsContact CB-CB 3.49Å
1126N30.2Very low33.5Very low85 Ų85117.8 Ų117.846%0.45563%0.629SS.*  trans56.8155.6149-498.7000118.4M835 N836M835-N1126 HydrophobicContact CB-CB 4.47Å; M835-N1126 VanDerWaalsContact CB-CG 3.47Å; M835-N1126 WeakPolarHBondContact CB-OD1 3.46Å; M835-N1126 PolarHBondContact O-ND2 3.48Å; M835-N1126 PolarHBondContact O-OD1 2.79Å; N836-N1126 PolarHBondContact O-OD1 3.25Å
1127A27.8Very low33.3Very low75 Ų75119.7 Ų119.762%0.6263%0.631SS**  cis-133.3-139.48.100000111.4D1129A1127-D1129 PolarHBondContact O-N 3.14Å; A1127-D1129 VanDerWaalsContact O-N 3.08Å
1128E42.4Very low33.3Very low198 Ų198124.2 Ų124.293%0.92565%0.646SS**SBendtrans-70.892.2168.9-72.3178.8113.100110.5
1129D35.3Very low33.5Very low147 Ų147124.1 Ų124.179%0.78668%0.675SS**  trans-150.5175.4165.9-146.6-25.9000110.1A1127A1127-D1129 PolarHBondContact O-N 3.14Å; A1127-D1129 VanDerWaalsContact O-N 3.08Å
1130Q36.2Very low33.8Very low175 Ų175127.3 Ų127.382%0.81870%0.695SS**  trans-73.4148.9175.4-60.9179.8-20.900111.6
1131V34.8Very low34.1Very low123 Ų123127.8 Ų127.875%0.74570%0.704SS**  trans136.6122.2149.2169.60000115
1132Q39.6Very low34.2Very low163 Ų163131 Ų13176%0.76272%0.723SS**  trans64.3128.3154.9-73.7166.4-48.700124.5
1133D37.8Very low34.5Very low134 Ų134132.7 Ų132.772%0.71774%0.737SS**  trans59.2114.5134-56.5-23.9000125.3
1134C34.6Very low34.9Very low115 Ų115131.4 Ų131.478%0.77775%0.747SS**  63.7136.3123.5-69.40000126.1
1135L40.9Very low35.3Very low152 Ų152136.9 Ų136.980%0.79676%0.763SS**  trans86111.1145-72.4168.5000124
1136L36.7Very low35.6Very low150 Ų150141.2 Ų141.279%0.78578%0.784SS**  64.7152123.4-117.971.4000125.6
1137L35.3Very low36Very low136 Ų136145.5 Ų145.571%0.71281%0.809SS**  trans72.991.9156.4-73.8166.4000121.9
1138Q33.7Very low36.7Very low167 Ų167151.4 Ų151.478%0.7883%0.825SS**  61.2119.8110.3-168.71735.100121.3
1139A32.8Very low36.1Very low157 Ų157147.2 Ų147.2100%1.29882%0.816SS**  -109.3011700000107.8

Retrieved 1,139 of 1,139 residues in 1082.9 ms (Link to these results)