A0A5K4F4E8_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4E8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,030 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.8Very low49.4Very low192 Ų192127.2 Ų127.295%0.94670%0.698SS**  0-87.90-60.1-39-169.600113.6V3 L4 L5M1-V3 PolarHBondContact O-N 2.9Å; M1-L4 PolarHBondContact O-N 3.18Å; M1-L5 PolarHBondContact O-N 3.11Å
2S46Very low48.6Very low113 Ų113127.4 Ų127.479%0.7971%0.706SS**THydrogen-bonded Turntrans-60.6-16.8-166.4-162.10000116.9
3V55.4Low47.9Very low89 Ų89130.2 Ų130.254%0.53972%0.716SS.*THydrogen-bonded Turntrans-84.5-34.1173.7-179.60000112.1M1 S6M1-V3 PolarHBondContact O-N 2.9Å; V3-S6 WeakPolarHBondContact O-CB 3.29Å; V3-S6 PolarHBondContact O-N 2.79Å
4L58.7Low47.4Very low117 Ų117126.7 Ų126.761%0.61371%0.713SS**G310 helixtrans-70.4-39.7178.7-64.3170.7000111.1M1 S6 M7M1-L4 PolarHBondContact O-N 3.18Å; L4-S6 PolarHBondContact O-N 3.36Å; L4-S6 VanDerWaalsContact O-N 3.08Å; L4-M7 PolarHBondContact O-N 3.21Å
5L60.2Low46.9Very low134 Ų134128.7 Ų128.770%0.70272%0.721SS**G310 helixtrans-64.7-12.6174.5-14276000113.3M1M1-L5 PolarHBondContact O-N 3.11Å
6S49.2Very low46.4Very low92 Ų92130.6 Ų130.664%0.64373%0.728SS**G310 helixtrans-88-8.2173.6-167.40000113.5V3 L4V3-S6 WeakPolarHBondContact O-CB 3.29Å; V3-S6 PolarHBondContact O-N 2.79Å; L4-S6 PolarHBondContact O-N 3.36Å; L4-S6 VanDerWaalsContact O-N 3.08Å
7M51.1Low46.1Very low137 Ų137130.2 Ų130.268%0.67573%0.733SS**THydrogen-bonded Turntrans-102.9-18177.6-64-175.768.200112.6L4 N9L4-M7 PolarHBondContact O-N 3.21Å; M7-N9 VanDerWaalsContact C-N 3.35Å
8Q49.6Very low45.5Very low131 Ų131133.8 Ų133.861%0.61274%0.739SS**SBendtrans-77.7-16.7179.4-14770.628.100113.9S10 Q11Q8-S10 PolarHBondContact O-N 3.42Å; Q8-Q11 PolarHBondContact O-OE1 3.25Å
9N45.8Very low45.1Very low139 Ų139136.9 Ų136.974%0.74375%0.747SS**SBendtrans-97.844.3-174.6-70.514.5000112M7M7-N9 VanDerWaalsContact C-N 3.35Å
10S42.5Very low44.8Very low94 Ų94134.6 Ų134.666%0.65775%0.747SS**  trans-14740.2-177.7-62.80000113.5Q8 T12Q8-S10 PolarHBondContact O-N 3.42Å; S10-T12 VanDerWaalsContact C-N 3.32Å; S10-T12 PolarHBondContact O-N 3.46Å
11Q39.7Very low44.4Very low161 Ų161136.4 Ų136.475%0.75275%0.753SS**  trans-67.289.8159.3-99.376.61800110Q8Q8-Q11 PolarHBondContact O-OE1 3.25Å
12T40.5Very low43.9Very low130 Ų130131 Ų13180%0.79875%0.747SS**  trans-150.677.6163-47.60000110.6S10S10-T12 VanDerWaalsContact C-N 3.32Å; S10-T12 PolarHBondContact O-N 3.46Å
13I39Very low43.5Very low164 Ų164130.4 Ų130.484%0.84174%0.743SS**  trans-159.9124.8148.5-94.7142.5000105.6
14A41.1Very low42.6Very low81 Ų81132.5 Ų132.567%0.66975%0.751SS**  trans-118.9169.6163.900000107.7
15N39.1Very low41.3Very low156 Ų156137.8 Ų137.883%0.83476%0.764SS**  trans67.579.1172.9-51.5-11.2000115.7
16L40.4Very low40.2Very low159 Ų159137 Ų13783%0.83277%0.767SS**  trans-123.5150.3138.3-94.995.8000109.5
17P41.2Very low39.4Very low125 Ų125139 Ų13981%0.81278%0.776SS**  trans-75.1153.9-174.3-14.130.7000113.2
18K34.7Very low38.5Very low195 Ų195143.6 Ų143.685%0.84879%0.786SS**  trans-95.8121.3165-60.4173.7-178.4174.80108.5
19H38.5Very low37.8Very low193 Ų193144.1 Ų144.189%0.89479%0.791SS**  trans170.693.1143-99.2-73.8000111.9
20A37.7Very low37.2Very low89 Ų89144.7 Ų144.774%0.73679%0.794SS**  trans-176.3104.2158.600000105.1
21I37.9Very low36.8Very low173 Ų173147 Ų14789%0.88780%0.799SS**  57.3108.473.8-53.2173.3000110.9
22G34.5Very low36.8Very low78 Ų78145 Ų14580%0.80480%0.801SS**  trans157.4103179.500000112.6
23S37.2Very low36.5Very low101 Ų101143.8 Ų143.871%0.70680%0.797SS**  trans-73.2164.5-174.151.90000115.6
24N35.4Very low36.2Very low134 Ų134143.2 Ų143.272%0.71780%0.796SS**  trans81.1100.2160.5-49.7-36.8000118.1
25Y32.4Very low35.9Very low227 Ų227147.2 Ų147.289%0.8980%0.804SS**  -167.9150.599.2-95.1-72000109.3
26P36.4Very low35.6Very low118 Ų118147.1 Ų147.177%0.76680%0.802SS**  trans-90.7130.9-164.633.7-32.3000114.1R28P26-R28 PolarHBondContact O-N 3.42Å
27T33.5Very low35.3Very low133 Ų133145.2 Ų145.282%0.81680%0.797SS**  trans-73.2122.1169.1-25.10000110.6
28R31.6Very low35.1Very low235 Ų235144.3 Ų144.389%0.88779%0.789SS**  trans-117.8104.4156.9-98.6-166.5176.7-155.1-0.6111.1P26P26-R28 PolarHBondContact O-N 3.42Å
29I34.1Very low35Very low142 Ų142141.8 Ų141.873%0.72879%0.785SS**  trans-59.8145.4156.7-60.8163.3000107.7
30N34.5Very low34.9Very low150 Ų150144.9 Ų144.980%0.80279%0.788SS**  trans-149.3144.3150.9-118.6-17.3000112.2
31N34.3Very low34.9Very low143 Ų143144.2 Ų144.277%0.76579%0.79SS**  trans-75.1151.7-178.4-83-47.5000112.1S33N31-S33 PolarHBondContact O-N 3.02Å
32P37.9Very low34.9Very low120 Ų120141.8 Ų141.878%0.77979%0.789SS**SBendtrans-81.595.1174.632.6-33.3000111.6
33S34.6Very low35.2Very low104 Ų104146.3 Ų146.373%0.72779%0.793SS**  trans-166.3149.2157.7-830000112.6N31N31-S33 PolarHBondContact O-N 3.02Å
34N34.2Very low35.1Very low151 Ų151144.9 Ų144.981%0.80779%0.794SS**  trans74.8157.3168.3-61-17.5000119.7
35I34.6Very low35.3Very low165 Ų165144.5 Ų144.585%0.84680%0.801SS**  trans88.1133163.6-63.9144.9000117.5
36I32Very low35.6Very low155 Ų155139.9 Ų139.980%0.79580%0.802SS**  trans-102.7-153.7-177.3-64.2155.4000106.6
37V34.4Very low35.8Very low118 Ų118137.7 Ų137.772%0.71580%0.8SS**  trans79126.7161.7175.10000114.3
38T36Very low36.2Very low106 Ų106134.5 Ų134.565%0.6579%0.793SS**  cis-162162-4.218.90000112.5
39N32.7Very low36.9Very low142 Ų142129.8 Ų129.876%0.75979%0.786SS**  trans37.9120.9140.5-55.5-3.1000122.1
40R37.3Very low37.6Very low258 Ų258129.8 Ų129.897%0.97479%0.787SS**  178.7140.1121.1-96.2165.2-174.6-162.72.1108.2
41G37.2Very low38.5Very low75 Ų75129.3 Ų129.377%0.77379%0.785SS**  cis-164.7165.5-6.900000109.9
42S38.2Very low39.4Very low123 Ų123128.7 Ų128.786%0.8678%0.782SS**  trans-74.3144.5-172.4-43.80000114.1
43I39.8Very low40.3Very low172 Ų172129.2 Ų129.288%0.88278%0.778SS**  trans-148.2140.6139.3-91.5143000105.8
44G35.6Very low41.4Very low71 Ų71130 Ų13073%0.73277%0.774SS**  trans-142.7144.6170.500000109.6
45C39.9Very low42.3Very low127 Ų127129.3 Ų129.386%0.85877%0.77SS**  trans-135.2158.6169.7-71.10000108.4
46S38.5Very low43.3Very low130 Ų130128.1 Ų128.191%0.90977%0.765SS**  trans-137163.5-170.2-48.70000111
47G40.7Very low44.2Very low71 Ų71127.7 Ų127.773%0.73277%0.765SS**  trans109.3154.2168.500000114.9
48G42.5Very low44.9Very low66 Ų66129.1 Ų129.168%0.6877%0.769SS**  trans81.791.7-167.600000110.3
49D45.2Very low45.5Very low137 Ų137130.8 Ų130.873%0.73377%0.774SS**  cis73.6153.831.3-43.7-56.8000113.4
50D49.8Very low46Very low141 Ų141127.9 Ų127.975%0.75476%0.764SS**  trans73.4110.6-179.1-43-16.3000113.9
51D53.4Low46.2Very low140 Ų140120.6 Ų120.675%0.74974%0.744SS**  84.5139.569-67.2-9.6000110.7
52D53.9Low46.3Very low131 Ų131128.3 Ų128.370%0.70175%0.75SS**  cis-149.6165.518.2-77.6-55.2000111.7
53D56.4Low46.3Very low130 Ų130125.5 Ų125.570%0.69574%0.741SS**  trans48.5154.6132.2-57-4.3000122.9
54D56.7Low46.2Very low121 Ų121124.8 Ų124.865%0.64774%0.739SS**  cis-162.5171-4.6-115.5-13.9000111.8
55D54Low46.2Very low136 Ų136129.2 Ų129.273%0.72774%0.74SS**  trans54.6154.3149.7-64.7-5.5000123.9
56D55.2Low46Very low140 Ų140128.3 Ų128.375%0.74973%0.73SS**  cis-165-169.2-45-138.5-8.1000109.6
57D50.8Low45.7Very low147 Ų147127 Ų12779%0.78672%0.722SS**  trans58.8110169.9-63.7-30.8000116.7
58D50.2Low45.3Very low148 Ų148130 Ų13079%0.79173%0.725SS**  cis69.4115.532.7-135.26.5000115.7
59D47.1Very low44.9Very low141 Ų141132 Ų13275%0.75473%0.729SS**  -169.7107.4126-144.35.8000115.1
60S43.6Very low44.2Very low80 Ų80131.6 Ų131.656%0.55973%0.727SS**  43.3157.8127.9-52.20000127.4
61N42.4Very low43.3Very low105 Ų105134.7 Ų134.756%0.56173%0.729SS**  trans86.9103.8151.3-64.2-52.1000118.6
62R37.7Very low42.3Very low237 Ų237132.9 Ų132.989%0.89473%0.727SS**  77128.977.4-74.9179.3-164.6142-5.8112.8
63G38.1Very low41.4Very low65 Ų65132.1 Ų132.167%0.6773%0.733SS**  cis159175.3-4.600000112.1
64N38.5Very low40.4Very low156 Ų156134.2 Ų134.283%0.83474%0.743SS**  trans66.6155.4162.7-60.5-6.7000117.7
65H36.7Very low39.6Very low164 Ų164134.5 Ų134.576%0.75975%0.751SS**  cis-150.9163.8-13.8-138.9-119.7000113.6
66V33.9Very low38.6Very low108 Ų108133.7 Ų133.766%0.65576%0.756SS**  trans-46.9162.1177.1-169.20000118.3
67S33.5Very low37.9Very low104 Ų104130.6 Ų130.673%0.72776%0.757SS**  trans106.3117.6156.5-39.80000115
68V30.7Very low37Very low132 Ų132129.9 Ų129.980%0.875%0.753SS**  cis82.996.842.6-178.40000114.3
69S34.4Very low36.5Very low108 Ų108130.1 Ų130.176%0.75575%0.754SS**  trans162.3157.7159-83.40000109.2
70N32.1Very low35.8Very low129 Ų129131.8 Ų131.869%0.6976%0.755SS**  cis-169145.6-34.8-117.1-21.4000107.3
71Y30.2Very low35.4Very low207 Ų207133.1 Ų133.181%0.81276%0.761SS**  trans47.8127.4154.7-78.2-83.2000124
72S31.3Very low35.1Very low101 Ų101136.2 Ų136.271%0.70677%0.771SS**  94.6150.8128.4-68.20000123.6
73S36.1Very low34.6Very low116 Ų116131 Ų13181%0.81176%0.76SS**  trans81.494.7154-58.20000120.1
74L34.3Very low34.4Very low174 Ų174133.6 Ų133.691%0.91177%0.768SS**  trans-71.7153.9148.1-71.3162.2000110.9
75P40.8Very low34Very low126 Ų126135.4 Ų135.482%0.81876%0.764SS**  trans-111.7156.4148.735.3-27.2000112.3
76S33.1Very low34Very low120 Ų120133.3 Ų133.384%0.83977%0.768SS**  trans-102.6162.4-177.8510000113.3
77G40.8Very low34.2Very low74 Ų74133.6 Ų133.676%0.76377%0.766SS**  trans-162.5132.4167.600000110.5
78N32.6Very low34.4Very low132 Ų132135.7 Ų135.771%0.70677%0.769SS**  trans-116.8155.7-174.3-64.5-27.2000111.4
79D38.3Very low35Very low153 Ų153138 Ų13882%0.81877%0.771SS**  trans176.8121.3137-86.5-21.5000107.1
80F32.5Very low35.1Very low176 Ų176142.8 Ų142.877%0.77277%0.774SS**  57.111758.6-73.4-83.3000112.6
81T35.6Very low35.9Very low109 Ų109141.3 Ų141.367%0.66977%0.769SS**  cis-143.9179.1-1.251.90000108.5
82Q35.1Very low36.6Very low169 Ų169135.4 Ų135.479%0.7975%0.752SS**  cis-129.3170.211.9-65.2179.312.900108.8
83I28.3Very low37.2Very low128 Ų128133.6 Ų133.666%0.65674%0.743SS**  cis74.390.634.7-46.1178.6000115.9
84S33Very low37.6Very low119 Ų119136.2 Ų136.283%0.83274%0.737SS**  trans-158.2141.5130.1-82.40000110.3
85Y31.3Very low38.2Very low195 Ų195133.3 Ų133.377%0.76572%0.72SS**  trans-81153.9-172.9-78.5-106.5000110.8
86S36.3Very low38.5Very low120 Ų120132.7 Ų132.784%0.83970%0.701SS**  -155156.969.851.70000116.8
87D37.4Very low39Very low113 Ų113134.1 Ų134.160%0.60469%0.694SS**  trans-76.6152.4-165.2-51.3-94.7000115.6
88N37.4Very low39.2Very low148 Ų148135.7 Ų135.779%0.79168%0.684SS**  trans-17513135.2-102.8-56.8000116.1Y90N88-Y90 VanDerWaalsContact C-N 3.33Å; N88-Y90 PolarHBondContact O-N 3.2Å
89Q43.4Very low39.7Very low181 Ų181133.6 Ų133.685%0.84668%0.676SS**THydrogen-bonded Turntrans-77.1-6.6-173.9-65.6-170.12.800116.1
90Y37.5Very low39.6Very low208 Ų208133.4 Ų133.482%0.81667%0.668SS**THydrogen-bonded Turntrans-77.2-26.7-167.8-100.2-85.5000116.3N88N88-Y90 VanDerWaalsContact C-N 3.33Å; N88-Y90 PolarHBondContact O-N 3.2Å
91V47.8Very low39.7Very low98 Ų98129.5 Ų129.559%0.59466%0.663SS**Hα-helixtrans-75.1-35.9-178.5-177.80000111.9A93 Y94 M95V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.04Å; V91-Y94 PolarHBondContact O-N 3.35Å; V91-Y94 VanDerWaalsContact O-N 3.16Å; V91-M95 HydrophobicContact CG1-CG 4.19Å; V91-M95 PolarHBondContact O-N 3.49Å; V91-M95 VanDerWaalsContact O-N 3.12Å
92D45.4Very low40Very low83 Ų83130.4 Ų130.444%0.44467%0.668SS.*Hα-helixtrans-76.9-11.7-173.6-16423.9000112.7R96D92-R96 WeakPolarHBondContact O-CG 3.49Å; D92-R96 PolarHBondContact O-NE 3.16Å; D92-R96 PolarHBondContact O-NH2 3.08Å; D92-R96 IonicContact OD1-CZ 2.78Å; D92-R96 IonicContact OD1-NE 2.68Å; D92-R96 IonicContact OD1-NH1 2.72Å; D92-R96 PolarHBondContact OD1-NH1 3.49Å; D92-R96 IonicContact OD1-NH2 3.35Å; D92-R96 IonicContact OD2-CZ 2.83Å; D92-R96 IonicContact OD2-NH1 3.62Å; D92-R96 PolarHBondContact OD2-NH1 3.3Å; D92-R96 IonicContact OD2-NH2 3.48Å; D92-R96 PolarHBondContact OD2-NH2 2.9Å
93A45.1Very low40.1Very low64 Ų64131.6 Ų131.653%0.52967%0.665SS.*Hα-helixtrans-77.1-47.1164.400000111.7V91 R96V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.04Å; A93-R96 PolarHBondContact O-N 3.24Å
94Y43.4Very low40.3Very low171 Ų171132.4 Ų132.467%0.67168%0.677SS**Hα-helixtrans-65.9-48.5-175-168.3-109.4000112.2V91 R96 H97 I98V91-Y94 PolarHBondContact O-N 3.35Å; V91-Y94 VanDerWaalsContact O-N 3.16Å; Y94-R96 VanDerWaalsContact C-N 3.26Å; Y94-R96 PolarHBondContact O-N 3.33Å; Y94-H97 PolarHBondContact O-N 2.91Å; Y94-H97 VanDerWaalsContact O-N 3.08Å; Y94-I98 HydrophobicContact CE1-CD1 4.32Å
95M47.7Very low40.5Very low113 Ų113132.2 Ų132.256%0.55767%0.665SS**Hα-helixtrans-65.6-27.9-179.4-65.7-62.2-87.800112.9V91 H97 I98 T99V91-M95 HydrophobicContact CG1-CG 4.19Å; V91-M95 PolarHBondContact O-N 3.49Å; V91-M95 VanDerWaalsContact O-N 3.12Å; M95-H97 VanDerWaalsContact C-N 3.28Å; M95-H97 PolarHBondContact O-N 3.4Å; M95-I98 PolarHBondContact O-N 2.94Å; M95-T99 PolarHBondContact O-OG1 3.18Å
96R47.5Very low40.7Very low113 Ų113127 Ų12743%0.42666%0.662SS.*Hα-helixtrans-74.7-12.6175.7-77.1-167.7-76.8-117.12.3114.3D92 A93 Y94D92-R96 WeakPolarHBondContact O-CG 3.49Å; D92-R96 PolarHBondContact O-NE 3.16Å; D92-R96 PolarHBondContact O-NH2 3.08Å; D92-R96 IonicContact OD1-CZ 2.78Å; D92-R96 IonicContact OD1-NE 2.68Å; D92-R96 IonicContact OD1-NH1 2.72Å; D92-R96 PolarHBondContact OD1-NH1 3.49Å; D92-R96 IonicContact OD1-NH2 3.35Å; D92-R96 IonicContact OD2-CZ 2.83Å; D92-R96 IonicContact OD2-NH1 3.62Å; D92-R96 PolarHBondContact OD2-NH1 3.3Å; D92-R96 IonicContact OD2-NH2 3.48Å; D92-R96 PolarHBondContact OD2-NH2 2.9Å; A93-R96 PolarHBondContact O-N 3.24Å; Y94-R96 VanDerWaalsContact C-N 3.26Å; Y94-R96 PolarHBondContact O-N 3.33Å
97H41.7Very low40.6Very low150 Ų150124.7 Ų124.769%0.69464%0.643SS**Hα-helixtrans-85-24.5174.4-150.4-82.5000113.1Y94 M95Y94-H97 PolarHBondContact O-N 2.91Å; Y94-H97 VanDerWaalsContact O-N 3.08Å; M95-H97 VanDerWaalsContact C-N 3.28Å; M95-H97 PolarHBondContact O-N 3.4Å
98I45.5Very low40.8Very low106 Ų106126.1 Ų126.154%0.54466%0.656SS.*Hα-helixtrans-81.8-35-177.7-65.8178.5000112Y94 M95 K100Y94-I98 HydrophobicContact CE1-CD1 4.32Å; M95-I98 PolarHBondContact O-N 2.94Å; I98-K100 VanDerWaalsContact C-N 3.31Å; I98-K100 PolarHBondContact O-N 2.8Å
99T43.7Very low40.7Very low88 Ų88122.7 Ų122.754%0.5466%0.656SS.*THydrogen-bonded Turntrans-83.617.3-177.1-7.80000116.3M95M95-T99 PolarHBondContact O-OG1 3.18Å
100K37Very low40.4Very low149 Ų149121.5 Ų121.565%0.64865%0.654SS**THydrogen-bonded Turntrans-128.22.1179.8-81.6-176.6179.3172.90116.1I98I98-K100 VanDerWaalsContact C-N 3.31Å; I98-K100 PolarHBondContact O-N 2.8Å
101S34.8Very low40.5Very low95 Ų95118.5 Ų118.566%0.66465%0.651SS**  trans-126.425.6-177.5-75.30000115.9R103S101-R103 VanDerWaalsContact C-N 3.35Å; S101-R103 PolarHBondContact O-N 2.89Å; S101-R103 VanDerWaalsContact O-N 3.16Å
102T41.8Very low40Very low128 Ų128117.1 Ų117.179%0.78566%0.657SS**  trans-87.478165.5-36.30000110.8
103R36.6Very low39.5Very low193 Ų193118.3 Ų118.373%0.72867%0.672SS**  trans-42.6143.5158.5-77.5164.1161.3-174.8-4.3109.7S101 I105S101-R103 VanDerWaalsContact C-N 3.35Å; S101-R103 PolarHBondContact O-N 2.89Å; S101-R103 VanDerWaalsContact O-N 3.16Å; R103-I105 VanDerWaalsContact C-N 3.34Å; R103-I105 HydrophobicContact CB-CB 4.43Å; R103-I105 HydrophobicContact CB-CG1 4.08Å; R103-I105 HydrophobicContact CG-CD1 4.43Å; R103-I105 HydrophobicContact CG-CG1 4.15Å
104T32.4Very low39.4Very low145 Ų145122.3 Ų122.389%0.8969%0.689SS**  cis52.540.325-40.20000113.8
105I37.1Very low39.1Very low116 Ų116120.9 Ų120.960%0.59569%0.693SS**  trans-132.8103.9149.4-67.5-177.1000106.4R103R103-I105 VanDerWaalsContact C-N 3.34Å; R103-I105 HydrophobicContact CB-CB 4.43Å; R103-I105 HydrophobicContact CB-CG1 4.08Å; R103-I105 HydrophobicContact CG-CD1 4.43Å; R103-I105 HydrophobicContact CG-CG1 4.15Å
106A34.4Very low38.4Very low84 Ų84122.9 Ų122.969%0.69471%0.706SS**  trans-147.8129.916000000106.8
107T36.1Very low37.8Very low72 Ų72123.8 Ų123.844%0.44272%0.724SS.*SBendtrans82.9138.2-176.874.80000116.6Q566T107-Q566 PolarHBondContact OG1-NE2 2.86Å
108T40.8Very low37.5Very low143 Ų143123.5 Ų123.588%0.87773%0.726SS**  trans59.9115-158.467.60000113.8
109G34.5Very low37Very low76 Ų76124.3 Ų124.378%0.78474%0.736SS**  cis132.277-14.500000114
110I38.6Very low36.6Very low157 Ų157129.4 Ų129.481%0.80575%0.753SS**  trans-138.9111.1175.2-67.1-175.6000110
111L39.2Very low36.5Very low144 Ų144127.3 Ų127.375%0.75476%0.758SS**  trans39.9141140.4-68.1156.4000123.2L573L111-L573 HydrophobicContact CD2-CD1 3.58Å
112G36.4Very low36.7Very low70 Ų70131.8 Ų131.872%0.72277%0.768SS**  trans86.7104.5162.200000114.2
113S36.3Very low36.3Very low108 Ų108134.9 Ų134.976%0.75577%0.774SS**  cis68.787.229-158.60000115
114V42.9Very low36.5Very low147 Ų147136.8 Ų136.889%0.89178%0.781SS**  trans-137.3136.8151.1-173.90000106.4
115N36.8Very low37.4Very low141 Ų141138.6 Ų138.675%0.75478%0.779SS**  trans-90.5170-169.3-76.4-43000114.2
116N32.3Very low38.7Very low156 Ų156138.4 Ų138.483%0.83479%0.785SS**  trans-32.3142.6163.5-63.2-29.2000114.6
117V34.9Very low40.2Very low132 Ų132140 Ų14080%0.879%0.788SS**  trans-156.5130.9137.6122.50000112
118I35.7Very low41.9Very low143 Ų143142.1 Ų142.173%0.73380%0.804SS**  trans53.5102.1153.4-59.8170.5000118.7
119T34.6Very low43.4Very low124 Ų124140.8 Ų140.876%0.76180%0.797SS**  trans-13.9132.8139.251.70000117.7
120Q36.4Very low45Very low194 Ų194143.4 Ų143.491%0.90780%0.801SS**  -151.6148.8121.2-117.8172.850.200113.5
121S34Very low46.5Very low105 Ų105143.7 Ų143.773%0.73480%0.803SS**  trans-69136.6-171.148.90000114.9
122Q38.7Very low47.9Very low190 Ų190142 Ų14289%0.88880%0.8SS**  trans-148132.8137.9-117171.563.700110.4
123Q33.2Very low49.2Very low192 Ų192144.5 Ų144.590%0.89780%0.804SS**  trans-78.9130.5-170.3-66.9169.9-2000111.7
124R41.8Very low49.6Very low234 Ų234147.8 Ų147.888%0.88381%0.812SS**  trans-130130.8149.2-60.3-172.2-154.3-92.3-0.8107
125Q50.4Low50.1Low183 Ų183146.3 Ų146.386%0.85580%0.804SS**PPolyproline II helixtrans-73.2149.8-178.7-66.2-178-4.200110.7
126P64.2Low50.8Low111 Ų111145.6 Ų145.672%0.72181%0.807SS**PPolyproline II helixtrans-63.8152.8164.430.4-34.9000110.1
127P66.6Low50.9Low117 Ų117145.3 Ų145.376%0.7681%0.805SS**PPolyproline II helixtrans-63147.2174.727.9-34.7000111
128P71.1Confident51.1Low118 Ų118147.3 Ų147.377%0.76680%0.803SS**PPolyproline II helixtrans-66.4151.7177.928.6-35.1000111.6
129P72.5Confident50.9Low114 Ų114148.8 Ų148.874%0.7481%0.807SS**PPolyproline II helixtrans-66.5155.2175.929.2-35.3000111.7
130P68Low50.9Low131 Ų131152.5 Ų152.585%0.85181%0.808SS**PPolyproline II helixtrans-58.8138.4176.7-23.334.1000112.6
131L70.4Confident50.8Low164 Ų164150.7 Ų150.786%0.85980%0.804SS**PPolyproline II helixtrans-70.2143.2173.9-70.4168.1000110.8
132P69.4Low50.6Low107 Ų107155.3 Ų155.370%0.69581%0.811SS**PPolyproline II helixtrans-68152.1174.129.6-35000111.4L134P132-L134 PolarHBondContact O-N 2.98Å
133P62.6Low50.6Low123 Ų123152.5 Ų152.580%0.79981%0.807SS**PPolyproline II helixtrans-60.8135.5177.9-23.334.1000112.9T135P133-T135 PolarHBondContact O-N 2.91Å
134L45.7Very low50.5Low177 Ų177148 Ų14893%0.92780%0.796SS**  trans-70.6106.1175.3-79.9147.9000110.8P132P132-L134 PolarHBondContact O-N 2.98Å
135T51.9Low50.3Low116 Ų116142.7 Ų142.771%0.71280%0.795SS**  trans-72.1129.1170.750.30000110.9P133 N137P133-T135 PolarHBondContact O-N 2.91Å; T135-N137 PolarHBondContact O-N 3.01Å
136P52.4Low49.5Very low126 Ų126140.8 Ų140.882%0.81880%0.796SS**  trans-66.9104.8178-22.334.4000112.6K138P136-K138 PolarHBondContact O-N 3.47Å
137N34Very low48.3Very low151 Ų151140.8 Ų140.881%0.80780%0.799SS**  trans-6896.9172.4-102.8-34.8000110.8T135T135-N137 PolarHBondContact O-N 3.01Å
138K38.7Very low46.9Very low174 Ų174141 Ų14176%0.75780%0.798SS**  trans-100.795.5158.7-81.1-168.2173.9-175.50109.6P136 Y140P136-K138 PolarHBondContact O-N 3.47Å; K138-Y140 HydrophobicContact CB-CD2 4.49Å; K138-Y140 PolarHBondContact O-N 3.36Å
139Q33.2Very low45.1Very low174 Ų174142.7 Ų142.781%0.81380%0.799SS**  trans-60.6121165.8-63.9175.7-4.200108.8
140Y32.8Very low43.4Very low201 Ų201142 Ų14279%0.78879%0.793SS**  trans-112.4110.6163.1-95.7-87.2000109K138 K142K138-Y140 HydrophobicContact CB-CD2 4.49Å; K138-Y140 PolarHBondContact O-N 3.36Å; Y140-K142 PolarHBondContact O-N 2.99Å
141L35.7Very low41.9Very low157 Ų157144.4 Ų144.482%0.82279%0.793SS**  trans-65.2124.9176.5-82.7160.8000109.8V143L141-V143 PolarHBondContact O-N 2.98Å; L141-V143 VanDerWaalsContact O-N 3.14Å
142K29.8Very low40.3Very low201 Ų201141 Ų14187%0.87478%0.783SS**  trans-78.993.1179.3-175.1-179.1-178.5-179.60109.7Y140Y140-K142 PolarHBondContact O-N 2.99Å
143V37.6Very low38.7Very low131 Ų131140.1 Ų140.179%0.79478%0.78SS**  trans-115.2108.9173.1-172.10000109.4L141L141-V143 PolarHBondContact O-N 2.98Å; L141-V143 VanDerWaalsContact O-N 3.14Å
144S31.6Very low37.5Very low97 Ų97142.6 Ų142.668%0.67878%0.78SS**  trans-91.5131.7171.3-57.50000110
145S37.9Very low37Very low124 Ų124138.6 Ų138.687%0.86777%0.767SS**  trans178.3146.9136.4-80.70000111.3
146T34.2Very low36.2Very low142 Ų142139.5 Ų139.587%0.87177%0.772SS**  trans-113.1117.7-175.748.20000112.1
147S38.5Very low35.4Very low112 Ų112137.6 Ų137.678%0.78376%0.762SS**  trans-172.1141.8164.752.50000109.5
148V36Very low35.5Very low121 Ų121136.3 Ų136.373%0.73376%0.755SS**  cis159.1135.6-11.51360000104
149L35.2Very low35.3Very low153 Ų153134.6 Ų134.680%0.80175%0.754SS**  trans67.3155.2174.5-63.2167000117.6
150T36.2Very low35.4Very low100 Ų100135.9 Ų135.961%0.61376%0.76SS**  cis-169143.2-37.6210000110.2
151Q35.4Very low35.2Very low181 Ų181137 Ų13785%0.84676%0.763SS**  trans63.1154.1149.1-68.7175.412.900118.7
152S36.4Very low35.2Very low93 Ų93134.6 Ų134.665%0.6576%0.759SS**  cis-166.9149.2-1145.30000114.1
153S36.2Very low35.3Very low88 Ų88130.3 Ų130.362%0.61575%0.75SS**  trans72.2146.8139.566.50000124.8
154H37.4Very low35.2Very low175 Ų175131.6 Ų131.681%0.8175%0.751SS**  trans75.1147158.7-58-58.3000119.9
155S35.6Very low35.1Very low93 Ų93134.4 Ų134.465%0.6575%0.754SS**  cis-178.9152.8-19.954.50000112.5
156V36.1Very low35.1Very low136 Ų136134.8 Ų134.882%0.82475%0.746SS**  trans67.7145.5145.1161.40000118.1
157S34.8Very low35Very low86 Ų86135.5 Ų135.560%0.60174%0.744SS**  cis-168.3-178.8-19.861.30000112
158D36.9Very low34.9Very low124 Ų124135.5 Ų135.566%0.66374%0.742SS**  trans75.6107150.6-69.9-59.7000125.3
159N33.2Very low34.7Very low138 Ų138140.9 Ų140.974%0.73875%0.749SS**  32.9128.4112.3-60.5-59.8000121.2
160Q35.8Very low34.4Very low200 Ų200142.2 Ų142.294%0.93575%0.748SS**  -174.4-178.3100.5-98.9-172.358.800114.1
161R29.6Very low34.3Very low225 Ų225146.8 Ų146.885%0.84976%0.763SS**  trans-138.6129.3-154.7170.7-164.6-176.6-149.56.8113.1
162S35.1Very low33.9Very low107 Ų107144.5 Ų144.575%0.74876%0.761SS**  trans-172.3115.7160.4-79.50000108.5
163T31.5Very low33.9Very low110 Ų110149 Ų14968%0.67577%0.772SS**  76.3141.669.3600000115.7
164L34.5Very low33.9Very low158 Ų158151.8 Ų151.883%0.82778%0.775SS**  trans78.5143.4173.1-51.6-177.7000115.6
165E31Very low33.8Very low157 Ų157151.6 Ų151.673%0.73478%0.78SS**  cis-168.5-179.1-19.4-159.3-167.2162.200109.6
166L38.3Very low33.7Very low132 Ų132154.6 Ų154.669%0.69179%0.789SS**  trans82.991.2155.9-58.4176.9000122.2
167N30.9Very low33.7Very low156 Ų156159.3 Ų159.383%0.83479%0.792SS**  53.5144.5122.6-92.3-38.1000124.5
168P36.9Very low33.4Very low113 Ų113162.8 Ų162.873%0.73480%0.803SS**  trans-104.4171.3-176.541.7-36.5000115.3
169R32.3Very low33.3Very low234 Ų234162.3 Ų162.388%0.88380%0.804SS**  trans-145.3128.8157.7-93.6-161.3143.6149.7-3.8115.2
170F28.6Very low33Very low181 Ų181162.1 Ų162.179%0.79480%0.802SS**  trans17.1126.6140.3-65.5-102.9000119.9
171Q34Very low32.7Very low196 Ų196161 Ų16192%0.91680%0.795SS**  -163.2146.995-103.8170.5-7.200112.1
172T27.7Very low32.8Very low132 Ų132158.2 Ų158.281%0.8179%0.789SS**  trans-133.1132.2-179.549.40000109.4
173E35.4Very low32.6Very low187 Ų187159.2 Ų159.287%0.87479%0.79SS**  trans-152.6122.6159.2-139.2154.2-142.700115.3
174Q36.3Very low32.6Very low147 Ų147163 Ų16369%0.68780%0.798SS**  trans37.8107.3146-57.2-66.6-8.800120.3
175N34.7Very low32.4Very low171 Ų171159.7 Ų159.791%0.91479%0.788SS**  trans-158.872.7137-109.5-53000112.2R177N175-R177 PolarHBondContact O-N 3.48Å
176N34.1Very low32.5Very low157 Ų157159.2 Ų159.284%0.8479%0.785SS**  trans-79.6105174.8-90.4-32.5000111.4
177R35.1Very low32.4Very low235 Ų235156 Ų15689%0.88777%0.769SS**  trans-126105.6158.8-152170.6-165.3-104.1-0110.4N175 V179N175-R177 PolarHBondContact O-N 3.48Å; R177-V179 PolarHBondContact O-N 2.92Å
178L28.9Very low32.5Very low159 Ų159152.2 Ų152.283%0.83275%0.751SS**  trans-71.1110.9-162.9-166.674000112.5
179V34.6Very low32.3Very low113 Ų113149.9 Ų149.969%0.68574%0.737SS**  trans-118.6108163.3-178.30000107.3R177 F181R177-V179 PolarHBondContact O-N 2.92Å; V179-F181 VanDerWaalsContact C-N 3.27Å; V179-F181 HydrophobicContact CG1-CD2 3.87Å; V179-F181 HydrophobicContact CG1-CE2 3.93Å; V179-F181 PolarHBondContact O-N 3.41Å
180L27.8Very low32.3Very low134 Ų134144.2 Ų144.270%0.70272%0.724SS**  trans-81.768.4-171.5-169.865.2000112.1K182L180-K182 HydrophobicContact CD1-CB 4.41Å; L180-K182 HydrophobicContact CD1-CD 4.4Å
181F28.4Very low32.5Very low177 Ų177142.7 Ų142.778%0.77672%0.723SS**  trans-70.6123.6150-76.4-83.2000107.6V179V179-F181 VanDerWaalsContact C-N 3.27Å; V179-F181 HydrophobicContact CG1-CD2 3.87Å; V179-F181 HydrophobicContact CG1-CE2 3.93Å; V179-F181 PolarHBondContact O-N 3.41Å
182K32.2Very low32.7Very low167 Ų167140.3 Ų140.373%0.72672%0.715SS**  trans-123.258.9177.5-152.5173.1-170.4176.70111.3L180L180-K182 HydrophobicContact CD1-CB 4.41Å; L180-K182 HydrophobicContact CD1-CD 4.4Å
183T30.9Very low33.1Very low127 Ų127141 Ų14178%0.77971%0.713SS**  trans-55140.1155.342.30000109.4
184K32.7Very low32.9Very low191 Ų191139.5 Ų139.583%0.8371%0.711SS**  trans-143.5104.7158.7-89.8-148.4167.4-160.40109.7
185S30.4Very low32.9Very low88 Ų88139.8 Ų139.862%0.61572%0.717SS**  trans-70.4-175.5150.7550000109.1
186E32.8Very low32.9Very low146 Ų146139.9 Ų139.968%0.68271%0.712SS**  cis-168.7172.722.1-149.4146.8-92.600111
187N35Very low32.7Very low66 Ų66137.9 Ų137.935%0.35371%0.706SS.*  trans68.1127.3170.4-51.4-52.3000114.9F438 N440N187-F438 HydrophobicContact CB-CD1 3.73Å; N187-F438 HydrophobicContact CB-CE1 3.84Å; N187-N440 PolarHBondContact OD1-ND2 3Å
188V32.9Very low32.6Very low75 Ų75132.3 Ų132.346%0.45570%0.697SS.*  cis86122.724.5-170.70000114.3F438 T439V188-F438 WeakPolarHBondContact O-CD1 3.45Å; V188-T439 HydrophobicContact CG1-CG2 4.12Å; V188-T439 WeakPolarHBondContact O-CG2 3.41Å; V188-T439 PolarHBondContact O-OG1 3.06Å
189C33.8Very low33Very low64 Ų64132.6 Ų132.643%0.43270%0.695SS.*  trans-160124.3154.7-148.30000109.4S437 T439C189-S437 WeakPolarHBondContact CB-OG 3.4Å; C189-S437 VanDerWaalsContact SG-CB 3.5Å; C189-S437 PolarHBondContact SG-OG 3.21Å; C189-S437 VanDerWaalsContact SG-OG 3.38Å; C189-T439 HydrophobicContact CB-CG2 4.2Å
190D32.7Very low32.9Very low115 Ų115135.1 Ų135.162%0.61570%0.699SS**  trans-95.6159.5-168.2-74.1-69.6000114.4
191I31.4Very low33Very low149 Ų149133.3 Ų133.376%0.76470%0.697SS**  trans40.3123.4143.6-58.8160.7000118.6
192I38.1Very low33.1Very low147 Ų147132.4 Ų132.475%0.75470%0.7SS**  trans-167.2151.5133-107.5161.1000111.9
193D36.4Very low33.2Very low145 Ų145129.5 Ų129.578%0.77570%0.701SS**  trans61.198.7170.3-60.9-14.7000121.4
194D31.8Very low33.4Very low156 Ų156130.8 Ų130.883%0.83470%0.703SS**  trans-68.6173136.6-85.5-57.9000110.9
195L35.4Very low33.2Very low154 Ų154129.8 Ų129.881%0.80671%0.707SS**  trans77140.6-176.1-44.7174.3000112.7
196Q36.4Very low33.4Very low172 Ų172132.3 Ų132.380%0.80471%0.712SS**  cis-121.7164.220.9-149.189.3-11.800113.3
197T29.7Very low33.2Very low116 Ų116133.5 Ų133.571%0.71272%0.717SS**  trans-83.7-169.7174.543.10000113.1
198V31.9Very low33.2Very low117 Ų117138.6 Ų138.671%0.70974%0.743SS**  trans82.9130.6163.6-175.30000114.4
199E37.8Very low33.1Very low166 Ų166140.1 Ų140.178%0.77675%0.753SS**  cis-151.5155.2-2.4-128.3154.6-145.700113.6
200E32.7Very low33.1Very low166 Ų166142.5 Ų142.578%0.77677%0.765SS**  trans14.7133.7143.8-67-168.1174.500126.1
201S30.5Very low33.1Very low96 Ų96144.4 Ų144.467%0.67178%0.775SS**  74.5128120.4-55.30000125
202D30.1Very low33.1Very low157 Ų157143.4 Ų143.484%0.8477%0.772SS**  trans28.9111133.3-59.4-6.9000121.6
203S34.5Very low33Very low107 Ų107144 Ų14475%0.74878%0.777SS**  trans-159.8108.4146.1-165.20000108.4
204L35.1Very low32.9Very low154 Ų154143.8 Ų143.881%0.80678%0.775SS**  68.4114.674.7-71.1174.2000114.4
205D27.3Very low33Very low170 Ų170144.2 Ų144.291%0.90978%0.778SS**  trans-65.6127.3170.6-58-80.4000111.3
206I35.5Very low33.1Very low141 Ų141141.2 Ų141.272%0.72377%0.77SS**  trans-135117.4165.5-62.2-177.2000108.6
207E28.9Very low33Very low171 Ų171140.5 Ų140.580%0.79977%0.771SS**  trans-64.6137167.3-65.6-175.5120.100110.5
208L33.6Very low33.4Very low172 Ų172138.7 Ų138.790%0.90177%0.768SS**  trans-127.9114.3155.9-80.3179.5000110.6
209T32.5Very low33.7Very low107 Ų107139.5 Ų139.566%0.65677%0.768SS**  trans-101.1125.9-166.5-63.60000110.7
210V32.3Very low33.8Very low115 Ų115137.6 Ų137.670%0.69776%0.763SS**  trans51.4117.9154.6177.20000117.6
211N33Very low33.9Very low154 Ų154136.7 Ų136.782%0.82476%0.764SS**  -150141.1117.3-130.2-27.7000114.3
212N31.1Very low34.2Very low128 Ų128143 Ų14368%0.68477%0.773SS**  trans-86.4155.7170.2-75.2-44.6000109.8
213N36Very low34.4Very low161 Ų161139.3 Ų139.386%0.86176%0.76SS**  trans-159.8146.2131.5-104.5-43.5000112.2
214N34.1Very low34.6Very low140 Ų140140.4 Ų140.475%0.74975%0.753SS**  trans-90156.9-175.8-50.4-74.2000111.3
215N35.6Very low34.6Very low165 Ų165140.9 Ų140.988%0.88275%0.751SS**  -155.7154.9124.5-128.3-32.8000115.3
216S35.9Very low35Very low91 Ų91137 Ų13764%0.63674%0.737SS**  trans-100154.4-167.9-48.90000113.5
217N34.8Very low35Very low156 Ų156135.5 Ų135.583%0.83474%0.739SS**  172128129.3-89.6-35.9000110.4
218A38.8Very low35.3Very low78 Ų78132.1 Ų132.165%0.64573%0.734SS**  74.3142.29000000113.3
219N37.5Very low35.3Very low134 Ų134128.9 Ų128.972%0.71773%0.726SS**  cis-158.5138.628.7-118.2-32.4000114.2
220N39.2Very low35.4Very low126 Ų126131.7 Ų131.767%0.67474%0.735SS**  trans48.8134.8132.1-70.1-12.8000125.7
221N36.5Very low35.4Very low148 Ų148130.5 Ų130.579%0.79173%0.732SS**  trans76.4153.7144.8-60.8-25.3000118.6
222R35.1Very low35.6Very low227 Ų227130.3 Ų130.386%0.85773%0.726SS**  cis-146.2165.615.6-152.9169.2-175.8165.50.7113.7
223S34.9Very low35.9Very low80 Ų80131.4 Ų131.456%0.55973%0.727SS**  trans-77.7163.1-178.343.70000115.9
224H39.2Very low35.9Very low130 Ų130128.9 Ų128.960%0.60272%0.722SS**  164.6129.2110.2-85.3-71.1000114.1
225Q35.9Very low36.5Very low165 Ų165127.3 Ų127.377%0.77172%0.72SS**  trans54.7156.2132.3-69.7163.1-3.700122.3
226S34.4Very low36.6Very low88 Ų88126.8 Ų126.862%0.61572%0.715SS**  cis178.6150.6-34.549.80000109.5
227S36.6Very low36.7Very low110 Ų110130.1 Ų130.177%0.76972%0.721SS**  trans61.1162.1161.940.90000118.2
228S35.1Very low36.8Very low99 Ų99128.7 Ų128.769%0.69272%0.718SS**  cis-169.2154.4-26.153.60000111.3
229S32.4Very low36.7Very low104 Ų104134.4 Ų134.473%0.72772%0.723SS**  trans68.4158.3149.8-58.50000121.8
230I34.5Very low36.7Very low167 Ų167134 Ų13486%0.85672%0.717SS**  trans72.2143.9157.2-75.8161.4000117.4
231S32.7Very low36.3Very low90 Ų90135.6 Ų135.663%0.62972%0.72SS**  cis-174.3171.6-27.7-167.30000108.6
232Q37.2Very low36.1Very low150 Ų150140 Ų14070%0.70173%0.725SS**  trans71.1153164.5-56.1179.877.200116.3
233Q37Very low36Very low151 Ų151136.1 Ų136.171%0.70672%0.717SS**  cis-162.1150.3-14.8-116.2170.81700112.8
234S37.1Very low36Very low108 Ų108140 Ų14076%0.75573%0.726SS**  trans70.1161.3140.376.30000122.7
235P45.8Very low35.7Very low107 Ų107137.7 Ų137.770%0.69572%0.724SS**  trans-134.3-168.3-160.545.3-27.9000115.2
236I37.2Very low35.4Very low153 Ų153139 Ų13979%0.78573%0.728SS**  trans-171.8122154.1-98.9147.5000106.9
237Q37.7Very low35.4Very low162 Ų162138.7 Ų138.776%0.75773%0.725SS**  60141.875.2-60.4-174.513.700113
238T37.7Very low35.1Very low125 Ų125140 Ų14077%0.76772%0.719SS**  cis-157.9-1704.32.90000107.6
239R36.1Very low35Very low198 Ų198144.5 Ų144.575%0.74772%0.723SS**  cis-161.5159.310.7-140.3177.9150.5127.61.6112.5
240Q38.2Very low34.9Very low127 Ų127148 Ų14859%0.59373%0.727SS**  trans10.6129.7146.4-71.8161-1.500121.4
241Q31.5Very low35.1Very low159 Ų159144.4 Ų144.474%0.74371%0.714SS**  83.9116.563.6-77-179.6-21.400117.4
242R32.8Very low35.2Very low239 Ų239148.5 Ų148.590%0.90272%0.723SS**  trans-177.1119.2144.9-106.1178-79.4-169.1-2.1105.8
243Q31.6Very low35.1Very low146 Ų146148.4 Ų148.468%0.68272%0.723SS**  cis73.8137.143.9-66-155.56.700115.7
244H35.2Very low34.9Very low163 Ų163147.5 Ų147.576%0.75572%0.718SS**  trans75.5142.5175.6-54.2-61000116.7
245S32.8Very low34.6Very low80 Ų80151.5 Ų151.556%0.55972%0.718SS**  cis-169.7142.1-10.9-1040000111.6
246F30.7Very low34Very low194 Ų194152 Ų15285%0.85171%0.711SS**  trans61.8157.9152.2-74.6-116.3000116.4
247S32.8Very low33.7Very low80 Ų80151.2 Ų151.256%0.55970%0.704SS**  cis-163.41742.2-1330000107.5
248E31.9Very low33.6Very low137 Ų137151.8 Ų151.864%0.6470%0.704SS**  cis-161.3-157.7-5.7-144.6163.2131.100110
249Y31.5Very low33.3Very low195 Ų195152.6 Ų152.677%0.76570%0.701SS**  trans48.485.9160.7-70.7-68.1000121.8
250H31.1Very low33.2Very low177 Ų177151.8 Ų151.882%0.81971%0.71SS**  -60.4-174.4128.9-108.343.8000112
251P38.4Very low32.8Very low91 Ų91151.6 Ų151.659%0.59171%0.713SS**  cis-134.4177.32.441.8-25.8000115.7
252H35.1Very low32.7Very low176 Ų176149 Ų14982%0.81571%0.713SS**  -162.4102.5121.2-119-89.2000109.4
253H35.4Very low32.5Very low149 Ų149143.6 Ų143.669%0.6971%0.71SS**  5594.694.7-116.6-94.6000113.5
254H31.5Very low32.5Very low132 Ų132141.6 Ų141.661%0.61171%0.712SS**  81.693.360.4-174.4-59.4000113.7
255Y31.9Very low32.2Very low191 Ų191141.1 Ų141.175%0.74972%0.715SS**  trans-164.3110.4139.1-121.3-104.2000105.5
256Q33.4Very low32.1Very low117 Ų117142.3 Ų142.355%0.54772%0.724SS.*  65.5143.988.2-71.8-168.94.400115.3
257Q31.2Very low32.2Very low137 Ų137139.4 Ų139.464%0.6472%0.716SS**  cis-176.5151.5-19.6-174.2145.922.500108.9
258K34.1Very low32Very low174 Ų174142 Ų14276%0.75772%0.724SS**  trans65.5153.2161.9-79.8164.5-174.9179.90116.7
259M31.9Very low32.1Very low142 Ų142142.4 Ų142.470%0.773%0.729SS**  cis-134.5151.7-24.1-64.2-146.6-64.600109.4
260L33.4Very low32.2Very low181 Ų181141.2 Ų141.295%0.94873%0.728SS**  trans-119.984.9149-95.2174.4000106.6
261D30.4Very low32.3Very low123 Ų123138.1 Ų138.166%0.65872%0.718SS**  trans-161.7125.8172.5-126-37.5000112.6
262S29Very low32.1Very low104 Ų104140.1 Ų140.173%0.72772%0.724SS**  trans63.2177.2154.4-63.60000120
263C30.3Very low32.2Very low126 Ų126136.6 Ų136.685%0.85172%0.718SS**  trans75.690.7172.1-63.30000118.6
264S30.6Very low32.1Very low104 Ų104136.3 Ų136.373%0.72772%0.722SS**  trans-32.2161.7147.9-38.60000117.3
265N29.2Very low32.3Very low153 Ų153135.6 Ų135.682%0.81873%0.727SS**  trans77.8104.4153.3-60-9.6000119.7
266S30.2Very low32.5Very low105 Ų105134 Ų13473%0.73473%0.726SS**  84.3148.6124.1-146.60000120.8
267I34Very low32.5Very low133 Ų133134 Ų13468%0.68273%0.73SS**  trans69.192.8151.9-78.3163.3000117.8
268D28.6Very low32.6Very low136 Ų136133 Ų13373%0.72773%0.733SS**  65.2147.6113.5-57.5-28.8000124
269L32.5Very low32.5Very low145 Ų145130.9 Ų130.976%0.75973%0.734SS**  trans89.5110.6154.5-62.1150.8000121.1
270F33.7Very low32.4Very low170 Ų170129.8 Ų129.875%0.74674%0.739SS**  85.9117.4127.5-86.9-131.3000123.2
271N34.3Very low32.4Very low112 Ų112127.2 Ų127.260%0.59973%0.734SS**  75.3113.1127.8-69.810.6000123.8
272N32.9Very low32.4Very low133 Ų133126.5 Ų126.571%0.71174%0.738SS**  81117.3119.2-65-2.7000122.9
273S37.5Very low32.6Very low101 Ų101128.5 Ų128.571%0.70674%0.741SS**  105.1140.6116.6690000121.6
274N34.1Very low32.7Very low143 Ų143130.8 Ų130.877%0.76574%0.738SS**  trans73.5130.4161.8-61.2-0.3000118.8
275V36.2Very low32.7Very low118 Ų118129.7 Ų129.772%0.71573%0.731SS**  cis78.3122.342.7173.90000109.5
276E35.7Very low32.8Very low157 Ų157129.5 Ų129.573%0.73473%0.725SS**  cis-169-169.32-132.8178.2-141.200110
277N33Very low32.8Very low118 Ų118132.9 Ų132.963%0.63173%0.727SS**  cis-159-165.2-8.1-157.2-27.2000108.5
278V32.6Very low32.7Very low116 Ų116131.5 Ų131.570%0.70372%0.718SS**  trans68.1105153168.10000116.7
279V31.9Very low32.9Very low128 Ų128131.6 Ų131.678%0.77672%0.715SS**  91.7129.460.8166.20000113.9
280C29.6Very low32.9Very low119 Ų119129.8 Ų129.880%0.80471%0.71SS**  trans-108150.6179.5-45.70000112.2
281P34.1Very low32.8Very low128 Ų128126.4 Ų126.483%0.83170%0.699SS**  trans-102.4159162.935.8-29.4000113.5
282S31.5Very low32.6Very low108 Ų108132.2 Ų132.276%0.75571%0.713SS**  trans-103161.3-178.3-58.90000112.7
283N32Very low32.4Very low146 Ų146133.9 Ų133.978%0.78171%0.709SS**  trans-178.8133.3131.3-90.3-33000110.4
284H32.2Very low32.1Very low173 Ų173134.8 Ų134.880%0.80171%0.706SS**  60.613486.7-94.4-75.1000113.9
285S31.3Very low32.1Very low82 Ų82135 Ų13557%0.57371%0.713SS**  cis-163.3170.110.882.10000113.8
286H30.2Very low31.9Very low149 Ų149136.7 Ų136.769%0.6971%0.713SS**  trans58149.9159.9-7479.4000117.4
287F30.6Very low31.6Very low175 Ų175137 Ų13777%0.76872%0.719SS**  cis-140.7137.628.2-155.1-126.2000108.3
288M32.3Very low31.6Very low104 Ų104141.2 Ų141.251%0.51273%0.733SS.*  47.7142.2104.6-47.9-59.6-159.800115.9
289Q32.9Very low31.5Very low139 Ų139144.4 Ų144.465%0.6574%0.74SS**  cis-161.8158.84.9-151.3102.354.700110.8
290T31.6Very low31.7Very low106 Ų106145.9 Ų145.965%0.6574%0.736SS**  trans61.3160.6154.246.80000119.2
291N31.6Very low31.7Very low99 Ų99147.1 Ų147.153%0.52974%0.735SS.*  cis-146.1149-17-115.1-24.3000108.5
292R30.7Very low31.8Very low235 Ų235145.9 Ų145.989%0.88773%0.725SS**  trans-87.3143.7157-74.6175.4163.6-159.6-8.2109
293R29.4Very low31.9Very low167 Ų167147.1 Ų147.163%0.6372%0.72SS**  trans-177.6152.4132.8-102.1171.2-165.1-178.33.1111.7
294N30.6Very low32.1Very low120 Ų120148.6 Ų148.664%0.64273%0.728SS**  trans49.1101.1152.6-56.128.6000119.4
295T33.6Very low32.1Very low148 Ų148148.3 Ų148.391%0.90873%0.728SS**  -125.8117.6123.540.80000107.8
296E32.6Very low32.1Very low154 Ų154150.9 Ų150.972%0.7274%0.739SS**  trans-92158.3163.5-73.6157.4148.200107.9
297D28.6Very low32.2Very low162 Ų162148.5 Ų148.587%0.86674%0.735SS**  trans26.394.3161.9-55.2-20.2000117.6
298F33.5Very low32.2Very low207 Ų207147.4 Ų147.491%0.90873%0.734SS**  trans-123.1114.4153.6-113.6-87.5000110.6
299E31.6Very low32.2Very low183 Ų183149.2 Ų149.286%0.85575%0.745SS**  trans-68.1133.8167.6175177.5-123.300109.9
300F34.4Very low32.4Very low159 Ų159149.9 Ų149.970%0.69775%0.748SS**  trans-15693.4162.3-146.1-96.9000111.6T302 M303F300-T302 WeakPolarHBondContact CE1-OG1 3.47Å; F300-M303 HydrophobicContact CE1-CE 3.96Å; F300-M303 HydrophobicContact CZ-CE 3.9Å
301D30.3Very low32.5Very low145 Ų145151 Ų15178%0.77575%0.75SS**  trans-71.5166.4151-109-44.6000109.7
302T37.4Very low32.7Very low103 Ų103150.3 Ų150.363%0.63276%0.757SS**  trans87162.3175.380.70000119F300F300-T302 WeakPolarHBondContact CE1-OG1 3.47Å
303M33.6Very low32.8Very low133 Ų133145.9 Ų145.966%0.65575%0.752SS**  trans66.880.1175.6-80.3169.9-83.900118.1F300F300-M303 HydrophobicContact CE1-CE 3.96Å; F300-M303 HydrophobicContact CZ-CE 3.9Å
304N35.3Very low33Very low177 Ų177146.8 Ų146.895%0.94776%0.76SS**  trans-116.449.4131.4-15411.6000110.7
305Q31.5Very low33.2Very low168 Ų168149.3 Ų149.379%0.78577%0.768SS**  trans-129122.8163.3-77.5-170.118.200107.4
306V31.8Very low33Very low135 Ų135147 Ų14782%0.81876%0.758SS**  trans159.3131.8161.4146.70000106.7
307T32.9Very low33Very low99 Ų99147.9 Ų147.961%0.60776%0.762SS**  cis-166.1151.2-11-90.40000109.5
308M30.4Very low33.2Very low152 Ų152148.5 Ų148.575%0.74976%0.764SS**  trans73.3134.3159.8-86-174.8-55.400122.7
309I32.4Very low33.1Very low142 Ų142145.8 Ų145.873%0.72875%0.754SS**  trans69123.1137.9-63.7167.4000116.3
310H36.4Very low33.2Very low154 Ų154144.5 Ų144.571%0.71375%0.747SS**  cis-152.9141.343.1-168.2-118.8000113.9
311N34.7Very low33.1Very low129 Ų129143.7 Ų143.769%0.6976%0.756SS**  trans33.5124156.7-59.23.3000122.3
312A34.5Very low33.1Very low84 Ų84145 Ų14569%0.69476%0.757SS**  trans-59.8154.1155.100000113.2
313N33.5Very low32.9Very low143 Ų143147.6 Ų147.677%0.76576%0.762SS**  -176.7157.6113.3-104.9-30.5000115.9
314F34.1Very low32.9Very low185 Ų185145.8 Ų145.881%0.81176%0.762SS**  trans69.783.6151.1-82.9-126.1000121.1
315H33.7Very low32.8Very low174 Ų174143.4 Ų143.481%0.80675%0.75SS**  47.9105.499.8-147.884.5000120.9
316S29.1Very low33Very low99 Ų99143.2 Ų143.269%0.69275%0.749SS**  72.1157.6129.1-152.20000123.1
317Q32.6Very low33.3Very low173 Ų173143.7 Ų143.781%0.80874%0.742SS**  trans84.487.7153.6-154.4159.461.900119.3
318I32.9Very low33.5Very low175 Ų175144.5 Ų144.590%0.89774%0.742SS**  trans-101.6131.1154.2-66175.6000108.3
319Q32.7Very low33.8Very low150 Ų150144.6 Ų144.670%0.70174%0.74SS**  trans-155.9147.6165.8-142.2-172.98100112.2
320Q32.5Very low33.8Very low155 Ų155143.6 Ų143.672%0.72474%0.741SS**  trans85.9149.9158.2-56-171.718.700121.6
321T32.9Very low33.6Very low142 Ų142148.3 Ų148.387%0.87175%0.752SS**  trans79135.6165.343.10000119.9
322Q29.1Very low33.4Very low173 Ų173150.5 Ų150.581%0.80876%0.758SS**  trans-131.2-175.6-175.6-64.9-178.5-61.900109.2
323H34.7Very low33.5Very low158 Ų158154.9 Ų154.973%0.73176%0.764SS**  trans74147.4172.7-63.6-82.7000115.2
324S32.5Very low33.5Very low95 Ų95155.1 Ų155.166%0.66476%0.76SS**  cis-154.1142.15.111.70000114.4
325D34.4Very low33.2Very low127 Ų127154.3 Ų154.368%0.67976%0.759SS**  66.5120124.8-46.5-22.4000124.2
326E35.3Very low33.3Very low164 Ų164153.1 Ų153.177%0.76676%0.758SS**  96.6144.8121.9-82.7-174.8168.800125.9
327H38.3Very low33.4Very low145 Ų145155.5 Ų155.567%0.67176%0.756SS**  trans76.6143.5147.1-85.9-141.6000120.8
328L37Very low33.2Very low115 Ų115156.7 Ų156.760%0.60276%0.755SS**  cis-165.9144.8-11.5-162.462.7000115.3
329H36.8Very low33.2Very low155 Ų155155.9 Ų155.972%0.71875%0.747SS**  trans55.9114149.7-72.95.1000126.8
330T32.3Very low33.1Very low121 Ų121157 Ų15774%0.74275%0.75SS**  30.5139.5118.548.20000125.2
331R32.5Very low33.4Very low252 Ų252155.3 Ų155.395%0.95175%0.753SS**  trans-163.8159.3132.1-110.6171.9-167.6-160.62.2114.5
332H30.5Very low33.4Very low176 Ų176154.9 Ų154.982%0.81575%0.745SS**  trans-98.6156.9177.7-77.5-62.5000113.1
333H36Very low33.6Very low175 Ų175154 Ų15481%0.8175%0.746SS**  179.3-179.7125.5-87.7-56.6000110.3
334Q33Very low33.6Very low148 Ų148150.7 Ų150.769%0.69274%0.74SS**  -173.2118.6-74.6169.9177.6-6.600112.2
335H28.6Very low33.5Very low169 Ų169156.2 Ų156.278%0.78275%0.747SS**  trans60.8134.5167.6-93.1-96.7000120.4
336D34.8Very low33.4Very low148 Ų148156.1 Ų156.179%0.79174%0.74SS**  trans167.4169.6146.2-91.5-15.2000109.4
337F31.7Very low33.2Very low150 Ų150156.9 Ų156.966%0.65874%0.737SS**  -164.8130.2-64.6-130.1-49000108.2
338Y29Very low32.8Very low197 Ų197156 Ų15677%0.77374%0.737SS**  trans60.5171.3171.4-64-64.1000116.9
339Q31.9Very low32.5Very low158 Ų158157 Ų15774%0.73874%0.743SS**  cis-147154.83.4-169.764.7-14.300111.2
340F31.1Very low32Very low175 Ų175154.8 Ų154.877%0.76875%0.745SS**  trans-87.4161.6170.5-87.6-97.1000113.8
341P39.5Very low32.3Very low119 Ų119157.2 Ų157.277%0.77375%0.745SS**  trans-96.814914334.5-29000112.3
342N31.6Very low32.1Very low133 Ų133152.8 Ų152.871%0.71174%0.735SS**  trans-109.1-176.5-172-78.2-61.8000113.5
343N33.8Very low32.3Very low155 Ų155150.1 Ų150.183%0.82974%0.736SS**  trans107.6134.1156.5-54.4-26.1000115.4
344S34.2Very low32.1Very low88 Ų88146.1 Ų146.162%0.61573%0.728SS**  cis-161.1137.5-8.6-145.70000113.5
345W30.6Very low32Very low211 Ų211145.5 Ų145.580%0.79973%0.734SS**  trans48.4143130.2-69.443.3000120.2
346K32.4Very low32.2Very low125 Ų125142.9 Ų142.954%0.54373%0.732SS.*  cis-173.7-174.6-0-122.4-167.6-173171.50111.4
347Y32.4Very low31.7Very low179 Ų179143.3 Ų143.370%0.70273%0.733SS**  trans78.7117.8169.4-66.8-89000116.1
348L30.3Very low31.8Very low128 Ų128142.3 Ų142.367%0.6774%0.739SS**  76130.452.7-67.3159.9000112
349N30.7Very low31.6Very low134 Ų134140.1 Ų140.172%0.71774%0.741SS**  cis-143.5156.929.7-83-70.9000114.1
350S26.2Very low31.6Very low109 Ų109141 Ų14176%0.76275%0.745SS**  trans-97137.1151.8179.10000109.8
351K36.9Very low31.6Very low172 Ų172138.7 Ų138.775%0.74874%0.741SS**  trans-132.1114.7161.6-82.4-162.2172.7-1700106.5
352Q30.2Very low31.2Very low160 Ų160138.6 Ų138.675%0.74873%0.734SS**  82.8146.573.4-80.4-179.5-26.500112.4
353S33Very low31.3Very low119 Ų119139.4 Ų139.483%0.83274%0.738SS**  trans67.9140.7-175.9-99.80000117.1
354S33.2Very low31.4Very low92 Ų92137 Ų13764%0.64373%0.729SS**  cis178.2133.8-35.438.30000109.1
355V30.1Very low31.6Very low135 Ų135139.5 Ų139.582%0.81874%0.735SS**  25.7125.3126.2179.80000116
356P33Very low31.7Very low113 Ų113136.5 Ų136.573%0.73474%0.735SS**  -139.2164.35633.1-13.1000119.1
357I25.2Very low32Very low157 Ų157137.7 Ų137.781%0.80575%0.747SS**  trans-91.5132.6159.3-58.2165.1000107.1
358T31.9Very low32.2Very low130 Ų130136.6 Ų136.680%0.79875%0.752SS**  trans-156.5141.2150.718.40000110.4
359N25.1Very low32.3Very low150 Ų150138.6 Ų138.680%0.80276%0.763SS**  trans-67.6146.2168.4-58.9-25.6000110.3
360Q31.6Very low32.4Very low176 Ų176139 Ų13982%0.82277%0.765SS**  trans-155.7129.4139.4-111.4160.325.100109.2
361N31.6Very low33Very low127 Ų127143.1 Ų143.168%0.67977%0.769SS**  41.8147126.6-56.245000119.4
362D31.5Very low32.8Very low117 Ų117142.5 Ų142.563%0.62677%0.767SS**  cis-177.1164.1-12.9-92.7-35.2000104.4
363N33.6Very low32.7Very low151 Ų151141.6 Ų141.681%0.80777%0.767SS**  trans69150.1167-54.3-46000115.2
364V36.8Very low32.8Very low105 Ų105142.9 Ų142.964%0.63676%0.763SS**  cis-154.2172.5-4.1107.90000109.6
365D38.1Very low32.9Very low139 Ų139142.7 Ų142.774%0.74376%0.762SS**  trans63.2102.6178-57-31.7000115.4
366N32.7Very low32.9Very low148 Ų148143 Ų14379%0.79177%0.765SS**  cis68.5145.840.1-68.6-44.4000116.4
367D37.3Very low32.9Very low151 Ų151144.3 Ų144.381%0.80777%0.765SS**  trans61.6124-177.1-74-7.4000116.5
368L38.6Very low33.2Very low155 Ų155141.3 Ų141.381%0.81276%0.758SS**SBendcis-136115.29.2-66.9170.2000111.4
369L32.3Very low33.3Very low170 Ų170142.3 Ų142.389%0.8976%0.757SS**  trans-145.346.9168.9-141.7166000112.4
370N32.1Very low33.6Very low142 Ų142140.7 Ų140.776%0.75975%0.753SS**  trans-158.190.7167.7-123.8-26.8000114.1
371K37.6Very low33.4Very low197 Ų197137 Ų13786%0.85775%0.746SS**  trans-152.391.3145.1-110.8163.6-174173.40109.2
372F33.7Very low33.5Very low159 Ų159136.7 Ų136.770%0.69775%0.749SS**  7396.4102.7-86.6-80.1000110.7
373N28.5Very low33.4Very low141 Ų141140.5 Ų140.575%0.75475%0.754SS**  75.9164.663-163.69.1000111.6
374I35.7Very low33.6Very low146 Ų146139.6 Ų139.675%0.74975%0.745SS**  trans83.3125.3-170.5-52164.7000113.1
375S35Very low33.2Very low88 Ų88141.4 Ų141.462%0.61575%0.751SS**  cis-158.7133.1-19.5-102.50000110.7
376T29.2Very low32.7Very low142 Ų142138.8 Ų138.887%0.87174%0.743SS**  trans-92.8127.1154430000109.2
377N33.7Very low32.6Very low139 Ų139138.7 Ų138.774%0.74374%0.743SS**  trans-141.6123.3166.2-88.4-47.7000106.4
378S30.5Very low32.4Very low95 Ų95137.5 Ų137.566%0.66474%0.741SS**  73.2130.188.5-152.30000110.5
379I33.8Very low32Very low150 Ų150135.9 Ų135.977%0.76974%0.738SS**  cis-144.1119.543.2-73.5170.1000108.7
380V31.3Very low32Very low117 Ų117133.1 Ų133.171%0.70973%0.728SS**  59.2116.6105.1-177.20000117.4
381S27.9Very low31.9Very low97 Ų97131.8 Ų131.868%0.67873%0.725SS**  trans12.7138.9145-46.60000121.8
382T34.5Very low31.7Very low121 Ų121128 Ų12874%0.74272%0.718SS**  176.2144.497.629.20000114.1
383R29.4Very low31.5Very low197 Ų197125.7 Ų125.774%0.74372%0.718SS**  trans58.3163.8141.5-62.5168.888.1144.813.2117.9
384E36.5Very low31.6Very low133 Ų133124.6 Ų124.662%0.62172%0.716SS**  cis-146.5133.5-23.4-108.7155.9159.400104.9
385N29.7Very low31.2Very low142 Ų142123 Ų12376%0.75971%0.714SS**  78.3139.372.9-155.528.3000114.8
386C27.6Very low31Very low85 Ų85124.3 Ų124.357%0.57472%0.718SS**  trans69.4117.3169.4-63.30000120.8
387N29Very low30.9Very low146 Ų146122.4 Ų122.478%0.78171%0.706SS**  56.8140.3121.7-48.6-12.6000119.3
388T33.4Very low31.1Very low126 Ų126120.7 Ų120.777%0.77371%0.705SS**  -164.4145.857.6-59.90000113.5
389T29.8Very low31.1Very low120 Ų120123.6 Ų123.674%0.73671%0.712SS**  trans-9.1142.1154.5-41.30000119.3
390T33Very low30.8Very low113 Ų113122.2 Ų122.269%0.69371%0.711SS**  159.5110.6126-62.50000107.2
391T29.8Very low30.7Very low114 Ų114119.9 Ų119.970%0.69970%0.704SS**  44.6137.6101.813.60000114.2
392T32.9Very low30.7Very low116 Ų116120.6 Ų120.671%0.71270%0.704SS**  cis-154.5-179.335.9-24.80000112.1
393T29.9Very low30.5Very low112 Ų112121.2 Ų121.269%0.68770%0.703SS**  trans-38.4165159.658.30000114.1
394T30.3Very low30.5Very low117 Ų117116.7 Ų116.772%0.71870%0.697SS**  cis-163-176.638.7-23.30000112.3
395T28.4Very low30.1Very low114 Ų114115.2 Ų115.270%0.69970%0.697SS**  trans-34163.5152.822.10000114.8
396T30Very low30.1Very low114 Ų114115 Ų11570%0.69970%0.695SS**  cis-160.8157.647.8-26.60000113.9
397T28.3Very low30.2Very low103 Ų103116.6 Ų116.663%0.63270%0.698SS**  trans0.9126154.652.40000119.3I399T397-I399 PolarHBondContact O-N 3.08Å; T397-I399 VanDerWaalsContact O-N 3.08Å
398S37.8Very low30.4Very low103 Ų103115.1 Ų115.172%0.7269%0.69SS**  16.682.7125.560.30000117.4T400S398-T400 PolarHBondContact O-OG1 2.8Å
399I29.7Very low30.6Very low155 Ų155118 Ų11880%0.79570%0.696SS**  trans-91.4111.1145.7-65.3176.7000103.1T397T397-I399 PolarHBondContact O-N 3.08Å; T397-I399 VanDerWaalsContact O-N 3.08Å
400T27.9Very low31Very low122 Ų122115.6 Ų115.675%0.74869%0.685SS**  63.4164.663.7-54.10000110.3S398S398-T400 PolarHBondContact O-OG1 2.8Å
401A28.2Very low31Very low68 Ų68117.5 Ų117.556%0.56269%0.69SS**  trans65.180-173.800000112.2
402T28.6Very low31.4Very low112 Ų112117.6 Ų117.669%0.68769%0.687SS**  82.1161.579.558.50000112.3
403N29.5Very low32Very low134 Ų134118.3 Ų118.372%0.71769%0.686SS**  trans70.8131.1149-66.4-1.2000116.5
404T30.7Very low32.9Very low102 Ų102119.2 Ų119.263%0.62669%0.687SS**  cis-170179.7-11.218.30000106.4
405T28.6Very low33.5Very low102 Ų102119.9 Ų119.963%0.62669%0.686SS**  trans72130.2135.749.40000117.4
406I28.5Very low34.4Very low137 Ų137121.5 Ų121.570%0.70369%0.685SS**  64.9117.656.6-58.8161.3000106.6
407D31.1Very low35Very low119 Ų119122.2 Ų122.264%0.63669%0.685SS**  cis-166.1176.324.5-135.20.5000114.9
408N33.3Very low35.5Very low115 Ų115125 Ų12562%0.61570%0.696SS**  trans52.5121.2149.8-61.9-43.9000117.8
409M37.6Very low36.4Very low185 Ų185125.2 Ų125.291%0.91170%0.695SS**  -136.9139.753.5-83.6175.7-179.800110.1
410S37.4Very low36.7Very low70 Ų70125.8 Ų125.849%0.4970%0.699SS.*  cis46.5101.929.3-160.80000113.4N412S410-N412 PolarHBondContact OG-N 3.22Å; S410-N412 VanDerWaalsContact OG-N 3.16Å
411N33.5Very low37.2Very low153 Ų153125.6 Ų125.682%0.81870%0.697SS**  -93.3114.572.1-68.9-38.2000117
412N38.6Very low37.7Very low116 Ų116127.4 Ų127.462%0.6270%0.701SS**  trans76.3124.5134.3-58.7-18.5000121.6S410S410-N412 PolarHBondContact OG-N 3.22Å; S410-N412 VanDerWaalsContact OG-N 3.16Å
413N45.3Very low38Very low132 Ų132127.8 Ų127.871%0.70670%0.699SS**  trans94.691.7139.6-58.7-12.4000122.5
414N47.9Very low38.4Very low130 Ų130129 Ų12970%0.69570%0.7SS**  82.298.2117-55.1-14.6000123.6
415N42.3Very low38.7Very low131 Ų131129.8 Ų129.870%0.70171%0.705SS**  82.4122.1114.5-64.711.5000125.3
416H48.4Very low38.9Very low148 Ų148133.7 Ų133.769%0.68571%0.714SS**  100.6102128-75.4-42.2000125
417D41.3Very low39.3Very low129 Ų129133 Ų13369%0.6972%0.716SS**  70101.9115-58.719.7000124.8
418D39.4Very low39.5Very low161 Ų161132.7 Ų132.786%0.86172%0.719SS**  66154.5109.5-82.27.6000127.4
419P56.1Low39.6Very low108 Ų108131.5 Ų131.570%0.70172%0.719SS**  trans-131173.4-168.843.7-26.6000117.7
420L36Very low39.5Very low168 Ų168130.9 Ų130.988%0.8871%0.714SS**  trans-158166.1165.5-72.4179.9000113.3
421V39.4Very low39.5Very low118 Ų118132.8 Ų132.872%0.71573%0.727SS**  -165.7146.7-51.194.30000113.8
422T38Very low39.6Very low105 Ų105131 Ų13164%0.64472%0.721SS**  trans55.5121.6158.163.10000127.2
423N36Very low39.4Very low120 Ų120135.8 Ų135.864%0.64273%0.73SS**  81125113.8-62.62000127.9
424H37.7Very low38.8Very low159 Ų159136.7 Ų136.774%0.73674%0.735SS**  trans65.9161.9140.3-49.4-34.6000119.7
425T36.4Very low38.2Very low119 Ų119140.7 Ų140.773%0.7374%0.742SS**  cis-160.2134.818.7-23.70000114
426F33.2Very low38.1Very low185 Ų185139.7 Ų139.781%0.81174%0.743SS**  trans57.9154.1142.4-92.2-108.7000127.5
427T37Very low37.5Very low122 Ų122135.5 Ų135.575%0.74873%0.73SS**  trans73.9153.2153.2570000122.7
428T35.9Very low37.2Very low113 Ų113136.8 Ų136.869%0.69373%0.73SS**  cis-169.3121.5-26.8-89.10000113.4
429S34.6Very low37Very low89 Ų89131.7 Ų131.762%0.62271%0.705SS**  trans61.3145.4144.883.30000127.4
430H35.9Very low36Very low173 Ų173130.2 Ų130.280%0.80169%0.691SS**  trans94.6132132.8-77.3-45.3000124.7
431S36.1Very low36Very low109 Ų109127.9 Ų127.976%0.76268%0.68SS**  trans78.6146.6145.9-73.30000121.1
432V37Very low35.9Very low115 Ų115129 Ų12970%0.69768%0.681SS**  cis-169.2142.7-27.1103.30000110.1
433R33Very low35.8Very low217 Ų217130.9 Ų130.982%0.81969%0.686SS**  trans53.3134160.9-66.6179.4-169.1177.23.4118.6
434N34.2Very low35.8Very low151 Ų151130 Ų13081%0.80769%0.686SS**  -169.416051.1-97.2-35.1000111.8
435Y34.2Very low35.7Very low215 Ų215129.1 Ų129.184%0.84369%0.693SS**  trans-101-172.7164.5-92.7-90.6000110
436P41.4Very low35.6Very low109 Ų109126.9 Ų126.971%0.70869%0.694SS**  cis-134.6168.3-6.517.98.7000117.7
437S35.5Very low35.5Very low61 Ų61126.5 Ų126.543%0.42769%0.694SS.*  trans43.7138.5135.3-53.60000124.8C189C189-S437 WeakPolarHBondContact CB-OG 3.4Å; C189-S437 VanDerWaalsContact SG-CB 3.5Å; C189-S437 PolarHBondContact SG-OG 3.21Å; C189-S437 VanDerWaalsContact SG-OG 3.38Å
438F34Very low35.4Very low156 Ų156127.4 Ų127.468%0.68469%0.694SS**  -173.2163.2107.7-95.9-59.9000113.4N187 V188N187-F438 HydrophobicContact CB-CD1 3.73Å; N187-F438 HydrophobicContact CB-CE1 3.84Å; V188-F438 WeakPolarHBondContact O-CD1 3.45Å
439T36.6Very low35.2Very low54 Ų54129 Ų12933%0.33170%0.698SS.*  trans-100.9-170-169.4540000112.8V188 C189V188-T439 HydrophobicContact CG1-CG2 4.12Å; V188-T439 WeakPolarHBondContact O-CG2 3.41Å; V188-T439 PolarHBondContact O-OG1 3.06Å; C189-T439 HydrophobicContact CB-CG2 4.2Å
440N34.9Very low35.1Very low76 Ų76131.6 Ų131.641%0.40670%0.704SS.*  cis-169.8159.333.7-140-14.1000115.7N187N187-N440 PolarHBondContact OD1-ND2 3Å
441N34.8Very low34.9Very low120 Ų120128.3 Ų128.364%0.64270%0.701SS**  trans46.6129.3152.7-67.4-33.1000124.1
442N36.8Very low34.9Very low140 Ų140128.2 Ų128.275%0.74971%0.706SS**  168.3119.6116.9-82.5-33.2000110.8
443I35.8Very low34.6Very low146 Ų146128.3 Ų128.375%0.74971%0.712SS**  76.6130.274.7-74178.2000113.5
444P37.4Very low34.5Very low100 Ų100121.6 Ų121.665%0.64970%0.698SS**  cis-147.5-170.1-23.842.8-22.2000115.8
445T34.3Very low34.4Very low141 Ų141123.7 Ų123.787%0.86570%0.697SS**  trans51.7130.7153.953.50000122.4
446G34.4Very low34.6Very low73 Ų73121.4 Ų121.475%0.75369%0.693SS**  trans-156.7-2.4-179.300000124.3
447Q32.2Very low34.2Very low177 Ų177121.6 Ų121.683%0.82769%0.692SS**  trans64.5159.6171.7-53.3-169.518.200120.7
448L33.7Very low34.3Very low141 Ų141126.8 Ų126.874%0.73871%0.714SS**  trans58.3119.7162.1-62.3143.4000117.4
449L32.7Very low34.2Very low147 Ų147123.6 Ų123.677%0.7771%0.711SS**  cis90.3145.849.6-84.1163.2000114.8
450D32.9Very low34.3Very low143 Ų143127.1 Ų127.177%0.76573%0.733SS**  trans66.8153.8174.7-72.7-40.8000119
451S30.3Very low34.2Very low103 Ų103132 Ų13272%0.7275%0.751SS**  cis172.2112.1-33.2-97.70000106.9
452A36.3Very low34.2Very low107 Ų107133 Ų13388%0.88476%0.755SS**  trans-158.9102.2167.200000112.7
453S31.3Very low34Very low117 Ų117131 Ų13182%0.81875%0.752SS**  trans-66.7164.2174.2-170.60000114.3
454S29.9Very low33.9Very low76 Ų76129.2 Ų129.253%0.53175%0.752SS.*  trans105156.1136.3-158.80000119.7
455Y34.1Very low33.7Very low196 Ų196129.9 Ų129.977%0.76976%0.759SS**  trans77.2136.2168.6-44-62.4000116.4
456H37.4Very low33.6Very low166 Ų166128.2 Ų128.277%0.76975%0.753SS**  cis-146.9146.4-5.8-142.7-73.7000112.6
457V32.7Very low33.6Very low114 Ų114129 Ų12969%0.69175%0.748SS**  trans-78145168.7171.60000110.2
458L38Very low33.7Very low170 Ų170128.3 Ų128.389%0.8975%0.749SS**  trans-150.5131.1148.3-113170.6000112.1
459S32.6Very low33.4Very low89 Ų89126 Ų12662%0.62274%0.744SS**  trans-95.9163.2175.2-340000111.7
460T37.2Very low33.2Very low127 Ų127123.1 Ų123.178%0.77974%0.736SS**  -165.6129.6126.628.60000109.6
461K33.1Very low33Very low180 Ų180122.3 Ų122.378%0.78374%0.737SS**  62.4130.678.2-73.5-175.1-178.8179.60112.2
462L35.6Very low32.9Very low141 Ų141122.6 Ų122.674%0.73874%0.739SS**  cis-143.4154.110-87.5125.9000109.6
463S31.9Very low32.6Very low98 Ų98122.4 Ų122.469%0.68573%0.731SS**  43.813294.3-38.30000114.6
464S34.7Very low32.4Very low108 Ų108121.6 Ų121.676%0.75573%0.725SS**  -157.6168.155.1-59.20000115.5
465S32.4Very low32.2Very low113 Ų113123.3 Ų123.379%0.7974%0.736SS**  trans-46.9161159.854.80000112.7
466S33.2Very low32.1Very low106 Ų106120.2 Ų120.274%0.74174%0.738SS**  cis-170.6-17339.758.80000108.3
467S34.1Very low32Very low91 Ų91117.5 Ų117.564%0.63674%0.737SS**  cis-164.4163.93.820.30000109.1
468L32.8Very low32.1Very low161 Ų161117.2 Ų117.284%0.84374%0.738SS**  trans24.3137.1138.8-53.3170.1000119.4
469S28.7Very low31.8Very low92 Ų92116 Ų11664%0.64373%0.732SS**  cis165.4-173.6-6.449.90000106.6
470S28.7Very low31.7Very low87 Ų87117.5 Ų117.561%0.60874%0.737SS**  trans66.9108.1146.746.20000120.9
471T27.7Very low31.5Very low127 Ų127117 Ų11778%0.77974%0.739SS**  79143.9127.7570000122.1
472S28.2Very low31.4Very low109 Ų109117.6 Ų117.676%0.76274%0.736SS**  trans66.214316054.80000117.8
473S30.6Very low31.5Very low103 Ų103118.3 Ų118.372%0.7274%0.741SS**  cis-161.7-177.3-1243.50000110.9
474S26.2Very low31.5Very low99 Ų99118.2 Ų118.269%0.69273%0.733SS**  trans-37162.5163.551.80000116.9
475C26.2Very low31.6Very low112 Ų112119.4 Ų119.476%0.75774%0.741SS**  trans79.9138.1173.4-50.40000113.5
476T32.6Very low31.7Very low132 Ų132118.8 Ų118.881%0.8173%0.732SS**  cis-156.6144.1-2.2-3.40000110
477S33.9Very low31.9Very low108 Ų108121.9 Ų121.976%0.75574%0.74SS**  trans-66.5162.7154.9-35.90000109.1
478P36.2Very low32.1Very low108 Ų108125 Ų12570%0.70175%0.746SS**  -160.6-172.273.541.4-18.5000117.3
479L31.3Very low32.6Very low146 Ų146124.8 Ų124.876%0.76474%0.743SS**  trans66.6120.9162.4-50.5-179.7000117.4
480T30.2Very low33.4Very low120 Ų120125.5 Ų125.574%0.73675%0.745SS**  cis76103.720.389.20000117.7
481S33.3Very low33.8Very low116 Ų116128.7 Ų128.781%0.81175%0.754SS**  trans-171.9101.3152.7-175.90000107.5
482R31.3Very low34.6Very low192 Ų192128.3 Ų128.373%0.72575%0.746SS**  cis81.391.926.7-163.8-172.3177.5157.16.6115.5N484R482-N484 PolarHBondContact NE-OD1 3.49Å
483N36.4Very low35.4Very low157 Ų157128.6 Ų128.684%0.8474%0.738SS**  trans-13590.4153.3-79.5-44.2000107.6
484N33.5Very low36.3Very low96 Ų96131.6 Ų131.651%0.51374%0.741SS.*  69.695.779.5-69.9-21.7000114.4R482R482-N484 PolarHBondContact NE-OD1 3.49Å
485S36.6Very low37.3Very low132 Ų132133.3 Ų133.392%0.92374%0.738SS**  trans-145130.4139.4-81.50000108.1
486T33.9Very low38.7Very low100 Ų100131.1 Ų131.161%0.61372%0.721SS**  trans-116.1134.5-162.4-64.40000110.6M488T486-M488 HydrophobicContact CG2-CE 4.24Å; T486-M488 HydrophobicContact CG2-SD 4.12Å
487L37.2Very low39.7Very low172 Ų172129.9 Ų129.990%0.90171%0.709SS**  trans-15188.8153.9-110.3173.3000113
488M38.9Very low40.5Very low156 Ų156130.8 Ų130.877%0.76870%0.701SS**  trans10.8121.6156.7-49-52.6-172.300120.3T486T486-M488 HydrophobicContact CG2-CE 4.24Å; T486-M488 HydrophobicContact CG2-SD 4.12Å
489M43.6Very low41.2Very low157 Ų157129.2 Ų129.277%0.77369%0.687SS**  trans-88.5138.8144.9-91.2-71.5-166.300109.4
490P44.9Very low42.1Very low106 Ų106126.8 Ų126.869%0.68868%0.675SS**  trans-77.2133.1-176.330.3-34.2000112.6I492P490-I492 PolarHBondContact O-N 3.28Å
491I36.7Very low43.3Very low155 Ų155127.4 Ų127.480%0.79567%0.669SS**  trans-73.7109.3170.7-62.5170.1000108.4N493I491-N493 PolarHBondContact O-N 3.06Å
492I45.2Very low44Very low119 Ų119127.6 Ų127.661%0.6166%0.657SS**  trans-78.1113.7169.6-62.5179.7000108P490 T496P490-I492 PolarHBondContact O-N 3.28Å; I492-T496 HydrophobicContact CG2-CG2 4Å
493N43.9Very low44.7Very low114 Ų114123.4 Ų123.461%0.6165%0.648SS**  trans-53.2144-179.4-78.3-50000112.6I491 H495 T496I491-N493 PolarHBondContact O-N 3.06Å; N493-H495 PolarHBondContact O-N 2.81Å; N493-T496 WeakPolarHBondContact O-CB 3.43Å; N493-T496 PolarHBondContact O-N 3.1Å; N493-T496 PolarHBondContact O-OG1 3.32Å
494Q49.6Very low45.2Very low166 Ų166122.3 Ų122.378%0.77664%0.638SS**Hα-helixtrans-55-28.5177.5-73.6-177.8-20.200113.3T496 L497 Q498Q494-T496 PolarHBondContact O-N 2.86Å; Q494-L497 PolarHBondContact O-N 3.03Å; Q494-L497 VanDerWaalsContact O-N 3.14Å; Q494-Q498 PolarHBondContact O-N 3.31Å
495H48Very low46Very low135 Ų135125 Ų12563%0.62565%0.645SS**Hα-helixtrans-58-30.8175-156.7-106.7000113.1N493 N499N493-H495 PolarHBondContact O-N 2.81Å; H495-N499 PolarHBondContact O-N 3.43Å; H495-N499 PolarHBondContact O-ND2 3.35Å
496T56.1Low46.2Very low67 Ų67124 Ų12441%0.41163%0.63SS.*Hα-helixtrans-73.6-35.5178-40.90000111.8I492 N493 Q494 Q498 N499 L500I492-T496 HydrophobicContact CG2-CG2 4Å; N493-T496 WeakPolarHBondContact O-CB 3.43Å; N493-T496 PolarHBondContact O-N 3.1Å; N493-T496 PolarHBondContact O-OG1 3.32Å; Q494-T496 PolarHBondContact O-N 2.86Å; T496-Q498 VanDerWaalsContact C-N 3.35Å; T496-N499 PolarHBondContact O-N 2.85Å; T496-L500 PolarHBondContact O-N 3Å
497L52.6Low46.8Very low105 Ų105125 Ų12555%0.5563%0.627SS.*Hα-helixtrans-69-30.4178-98157.3000112.8Q494 Q501Q494-L497 PolarHBondContact O-N 3.03Å; Q494-L497 VanDerWaalsContact O-N 3.14Å; L497-Q501 WeakPolarHBondContact O-CG 3.43Å
498Q50.3Low47Very low127 Ų127125 Ų12559%0.59362%0.615SS**Hα-helixtrans-74.3-39.4174.3-71.2-179.5-23.100112.5Q494 T496 Q501 Q502Q494-Q498 PolarHBondContact O-N 3.31Å; T496-Q498 VanDerWaalsContact C-N 3.35Å; Q498-Q501 PolarHBondContact O-N 3.34Å; Q498-Q502 PolarHBondContact O-N 3.02Å
499N50.7Low47.2Very low76 Ų76123.2 Ų123.241%0.40661%0.608SS.*Hα-helixtrans-66.1-38.8178.3-80.6-81.8000112.6H495 T496 Q501 Q502 L503H495-N499 PolarHBondContact O-N 3.43Å; H495-N499 PolarHBondContact O-ND2 3.35Å; T496-N499 PolarHBondContact O-N 2.85Å; N499-Q501 PolarHBondContact O-N 3.38Å; N499-Q502 PolarHBondContact O-N 3.06Å; N499-L503 PolarHBondContact O-N 3.11Å
500L51.6Low46.9Very low95 Ų95119.1 Ų119.150%0.49760%0.595SS.*Hα-helixtrans-63.9-25.1173.5-83.4159.7000113.5T496 Q502T496-L500 PolarHBondContact O-N 3Å; L500-Q502 VanDerWaalsContact C-N 3.34Å
501Q54.3Low46.6Very low132 Ų132121 Ų12162%0.61760%0.599SS**Hα-helixtrans-81.8-8.4173.7-70.3-175.23.500114.2L497 Q498 N499L497-Q501 WeakPolarHBondContact O-CG 3.43Å; Q498-Q501 PolarHBondContact O-N 3.34Å; N499-Q501 PolarHBondContact O-N 3.38Å
502Q49.6Very low46.7Very low121 Ų121121.5 Ų121.557%0.56560%0.596SS**Hα-helixtrans-98.7-32.8174-75176.1-19.500112.5Q498 N499 L500 K505 N506Q498-Q502 PolarHBondContact O-N 3.02Å; N499-Q502 PolarHBondContact O-N 3.06Å; L500-Q502 VanDerWaalsContact C-N 3.34Å; Q502-K505 PolarHBondContact O-N 2.76Å; Q502-K505 VanDerWaalsContact O-N 3.11Å; Q502-N506 PolarHBondContact O-N 3.05Å
503L45.8Very low46.1Very low103 Ų103126.4 Ų126.454%0.53961%0.608SS.*Hα-helixtrans-58.5-50.2172.2-79.8162.5000112.3N499 K505 N506 E507N499-L503 PolarHBondContact O-N 3.11Å; L503-K505 PolarHBondContact O-N 3.45Å; L503-N506 PolarHBondContact O-N 3.33Å; L503-E507 PolarHBondContact O-N 2.93Å
504H45.2Very low45.5Very low134 Ų134125.7 Ų125.762%0.6261%0.612SS**Hα-helixtrans-66.9-4.6176-71.4159000115.2E507H504-E507 IonicContact CD2-OE2 3.64Å
505K50.2Low44.7Very low154 Ų154125.9 Ų125.967%0.6762%0.618SS**Hα-helixtrans-92.9-20.8168.6-75.1-179.3176.8176.40113.1Q502 L503Q502-K505 PolarHBondContact O-N 2.76Å; Q502-K505 VanDerWaalsContact O-N 3.11Å; L503-K505 PolarHBondContact O-N 3.45Å
506N42.3Very low43.8Very low111 Ų111128.1 Ų128.159%0.59463%0.629SS**Hα-helixtrans-92.2-36.2-177.7-67.6-11.8000112.5Q502 L503 R508 L509Q502-N506 PolarHBondContact O-N 3.05Å; L503-N506 PolarHBondContact O-N 3.33Å; N506-R508 VanDerWaalsContact C-N 3.31Å; N506-R508 PolarHBondContact O-N 3.38Å; N506-L509 PolarHBondContact O-N 3.45Å
507E47Very low42.8Very low119 Ų119130.7 Ų130.756%0.55665%0.645SS**Hα-helixtrans-68.7-26.9177.2-70-175.3112.100113.7L503 H504 L509 S510L503-E507 PolarHBondContact O-N 2.93Å; H504-E507 IonicContact CD2-OE2 3.64Å; E507-L509 PolarHBondContact O-N 3.42Å; E507-L509 VanDerWaalsContact O-N 3.1Å; E507-S510 PolarHBondContact O-N 3.18Å; E507-S510 PolarHBondContact O-OG 2.95Å
508R40.9Very low41.8Very low172 Ų172131.3 Ų131.365%0.64965%0.653SS**Hα-helixtrans-72.85.3174.6-77.4-174.4164.7-176.5-6.1114N506 E982N506-R508 VanDerWaalsContact C-N 3.31Å; N506-R508 PolarHBondContact O-N 3.38Å; R508-E982 IonicContact NH2-OE2 2.87Å; R508-E982 PolarHBondContact NH2-OE2 3.48Å
509L42.6Very low41Very low119 Ų119133.3 Ų133.362%0.62367%0.665SS**Hα-helixtrans-118.5-27.8171.6-67.9176000114.5N506 E507 K512N506-L509 PolarHBondContact O-N 3.45Å; E507-L509 PolarHBondContact O-N 3.42Å; E507-L509 VanDerWaalsContact O-N 3.1Å; L509-K512 PolarHBondContact O-N 3.44Å
510S37.9Very low40Very low72 Ų72135.2 Ų135.250%0.50368%0.675SS.*Hα-helixtrans-66.7-44.9177.555.70000112.4E507 K512 Y513E507-S510 PolarHBondContact O-N 3.18Å; E507-S510 PolarHBondContact O-OG 2.95Å; S510-K512 PolarHBondContact O-N 3.21Å; S510-Y513 PolarHBondContact O-N 3.48Å
511N36.9Very low39.1Very low145 Ų145138.4 Ų138.478%0.77569%0.69SS**THydrogen-bonded Turntrans-73.415.4179-78.8-21.7000114.8
512K40.4Very low38Very low166 Ų166138.2 Ų138.272%0.72269%0.694SS**THydrogen-bonded Turntrans-105.8-4.4168-85.1-178.7174175.40114.7L509 S510L509-K512 PolarHBondContact O-N 3.44Å; S510-K512 PolarHBondContact O-N 3.21Å
513Y31.3Very low37.1Very low222 Ų222138 Ų13887%0.87171%0.706SS**SBendtrans-126.841.2178.9-81.9-79.6000113.6S510S510-Y513 PolarHBondContact O-N 3.48Å
514S31.8Very low36.5Very low98 Ų98138.7 Ų138.769%0.68572%0.719SS**SBendtrans-143.966.7169.5-161.90000112.3
515N32.4Very low35.8Very low171 Ų171139.2 Ų139.291%0.91473%0.727SS**SBendtrans-16646.2166.8-101.8-51.4000110.6
516Q30.4Very low35.1Very low181 Ų181139.3 Ų139.385%0.84673%0.734SS**  trans-146.645.4-178.1-143.6173.1104.800114.4T518Q516-T518 VanDerWaalsContact C-OG1 3.26Å; Q516-T518 PolarHBondContact O-OG1 3.1Å
517T33.7Very low34.6Very low122 Ų122140.3 Ų140.375%0.74874%0.74SS**  trans-127.8102.2163.7-49.40000105.9M519T517-M519 HydrophobicContact CG2-CG 4.36Å
518T32Very low34Very low117 Ų117141.3 Ų141.372%0.71875%0.749SS**  cis65.433.539.5-21.40000113.1Q516 N520Q516-T518 VanDerWaalsContact C-OG1 3.26Å; Q516-T518 PolarHBondContact O-OG1 3.1Å; T518-N520 VanDerWaalsContact C-N 3.28Å; T518-N520 PolarHBondContact O-N 3.22Å
519M33.5Very low33.7Very low170 Ų170140 Ų14084%0.83776%0.755SS**  trans-7089.1158.3-75.5-68.2-87.400109T517 I521T517-M519 HydrophobicContact CG2-CG 4.36Å; M519-I521 PolarHBondContact O-N 3.24Å
520N30.8Very low33.3Very low116 Ų116141.6 Ų141.662%0.6276%0.764SS**  trans-71.5109.6178.1178.235.4000110.3T518 N522T518-N520 VanDerWaalsContact C-N 3.28Å; T518-N520 PolarHBondContact O-N 3.22Å; N520-N522 VanDerWaalsContact C-N 3.31Å; N520-N522 PolarHBondContact ND2-OD1 3.35Å; N520-N522 PolarHBondContact O-N 2.95Å
521I31.7Very low33Very low161 Ų161142.7 Ų142.783%0.82677%0.772SS**  trans-77.886.3173.1-56.2179000108.1M519 S523M519-I521 PolarHBondContact O-N 3.24Å; I521-S523 PolarHBondContact O-N 2.99Å
522N32.5Very low32.9Very low128 Ų128143 Ų14368%0.68477%0.774SS**  trans-62.6128.1172-90.4-14.9000110.4N520N520-N522 VanDerWaalsContact C-N 3.31Å; N520-N522 PolarHBondContact ND2-OD1 3.35Å; N520-N522 PolarHBondContact O-N 2.95Å
523S28.8Very low32.6Very low117 Ų117143 Ų14382%0.81878%0.781SS**  trans-66.3132.3164.8-54.10000110.6I521I521-S523 PolarHBondContact O-N 2.99Å
524S33.4Very low32.7Very low117 Ų117143.8 Ų143.882%0.81878%0.783SS**  trans-155.1139.8152-81.30000109.3
525N32.3Very low32.8Very low146 Ų146147.9 Ų147.978%0.78179%0.791SS**  trans-59.5139.8-177.4-59-23.2000111.1
526N33.8Very low32.9Very low155 Ų155145.3 Ų145.383%0.82978%0.783SS**  -161.5142.8110.8-97.2-25.3000113.1
527N32.8Very low33.1Very low132 Ų132143.7 Ų143.771%0.70678%0.781SS**  trans-49.8131.6-179.2-46.4-25.4000113.1
528N34.8Very low33.3Very low140 Ų140144.8 Ų144.875%0.74978%0.781SS**  170.7132.5108.8-83.1-25.4000113.7
529N34.4Very low33.8Very low145 Ų145144 Ų14478%0.77578%0.775SS**  trans52.1110.9141.6-57.1-10.1000122
530N34Very low34.1Very low152 Ų152139.4 Ų139.481%0.81376%0.757SS**  trans59.1101.2137.3-85.5-11.2000122.3
531S32.3Very low35Very low96 Ų96137.6 Ų137.667%0.67175%0.746SS**  88.1145.9117.881.30000120.9
532N33.9Very low35.4Very low152 Ų152136.1 Ų136.181%0.81373%0.731SS**  trans63.675.6152.8-60.4-24.7000119.5
533N33.6Very low36.4Very low166 Ų166134.8 Ų134.889%0.88873%0.73SS**  trans-148.3128.3133.2-132.5-34.1000112.3
534R34.5Very low38Very low238 Ų238137.1 Ų137.190%0.89872%0.721SS**  trans-107120.3179-73.4-173.6179.5-175.81.7110
535Q33.3Very low39Very low184 Ų184134.8 Ų134.886%0.8670%0.698SS**  trans-66.6139.9171.3-70.2-172.3-7.400111.5N537Q535-N537 PolarHBondContact O-N 3.46Å; Q535-N537 VanDerWaalsContact O-N 3.08Å
536P34.3Very low39.9Very low116 Ų116134.5 Ų134.575%0.75369%0.689SS**  trans-77.693.6178.331.2-34.1000110.9I538P536-I538 PolarHBondContact O-N 3.3Å
537N35.4Very low40.6Very low147 Ų147136.1 Ų136.179%0.78668%0.684SS**  trans-76.890.6175.6-163.2-13000110.4Q535 T539Q535-N537 PolarHBondContact O-N 3.46Å; Q535-N537 VanDerWaalsContact O-N 3.08Å; N537-T539 PolarHBondContact O-N 3.34Å; N537-T539 PolarHBondContact O-OG1 3.06Å
538I37.4Very low41.4Very low146 Ų146133.5 Ų133.575%0.74967%0.673SS**  trans-65.190.5-171.9-57.5178.6000111P536 V540P536-I538 PolarHBondContact O-N 3.3Å; I538-V540 HydrophobicContact CG2-CG2 4.31Å
539T41.9Very low41.9Very low99 Ų99132.9 Ų132.961%0.60767%0.665SS**  trans-92.9105.2172.7-51.60000109N537 I541N537-T539 PolarHBondContact O-N 3.34Å; N537-T539 PolarHBondContact O-OG1 3.06Å; T539-I541 VanDerWaalsContact C-N 3.32Å; T539-I541 HydrophobicContact CG2-CD1 4.12Å; T539-I541 HydrophobicContact CG2-CG1 3.62Å; T539-I541 PolarHBondContact O-N 2.92Å
540V39.9Very low42.6Very low74 Ų74129.6 Ų129.645%0.44865%0.654SS.*  trans-71.984.1176.6-178.40000110.2I538 Y542 V1030I538-V540 HydrophobicContact CG2-CG2 4.31Å; V540-Y542 PolarHBondContact O-N 3.26Å; V540-V1030 HydrophobicContact CG1-CG1 3.99Å; V540-V1030 HydrophobicContact CG2-CG1 4.45Å
541I49.7Very low43Very low78 Ų78129.1 Ų129.140%0.464%0.644SS.*  trans-89.491.9176.6-51177.2000109.3T539 M545 K546T539-I541 VanDerWaalsContact C-N 3.32Å; T539-I541 HydrophobicContact CG2-CD1 4.12Å; T539-I541 HydrophobicContact CG2-CG1 3.62Å; T539-I541 PolarHBondContact O-N 2.92Å; I541-M545 HydrophobicContact CG2-CB 4Å; I541-K546 HydrophobicContact CG2-CG 3.74Å
542Y40.4Very low43.7Very low130 Ų130126.7 Ų126.751%0.5163%0.63SS.*  trans-46.6139.3174.8-73.1-75.3000112.2V540 W544 M545V540-Y542 PolarHBondContact O-N 3.26Å; Y542-W544 AromaticContact CG-NE1 3.93Å; Y542-W544 PolarHBondContact O-N 3.31Å; Y542-M545 HydrophobicContact CD2-SD 4.36Å; Y542-M545 WeakPolarHBondContact O-CB 3.38Å; Y542-M545 PolarHBondContact O-N 2.97Å
543P53.3Low44.2Very low101 Ų101123.4 Ų123.466%0.65662%0.619SS**Hα-helixtrans-54.1-28.8-175-3136.2000115.6R547P543-R547 PolarHBondContact O-N 3.22Å
544W62.5Low44.8Very low166 Ų166126.1 Ų126.163%0.62962%0.616SS**Hα-helixtrans-70-31.4175.571.4-91.9000113.2Y542 R547 V548Y542-W544 AromaticContact CG-NE1 3.93Å; Y542-W544 PolarHBondContact O-N 3.31Å; W544-R547 PolarHBondContact O-N 2.97Å; W544-V548 HydrophobicContact CE3-CG2 4.05Å; W544-V548 HydrophobicContact CZ3-CG2 4.32Å; W544-V548 WeakPolarHBondContact O-CG2 3.48Å; W544-V548 PolarHBondContact O-N 3.08Å
545M54.9Low45.4Very low67 Ų67121 Ų12133%0.3360%0.603SS.*Hα-helixtrans-68.6-40.4177.5-75.2167.455.600112I541 Y542 R547 V548 H549I541-M545 HydrophobicContact CG2-CB 4Å; Y542-M545 HydrophobicContact CD2-SD 4.36Å; Y542-M545 WeakPolarHBondContact O-CB 3.38Å; Y542-M545 PolarHBondContact O-N 2.97Å; M545-R547 PolarHBondContact O-N 2.9Å; M545-V548 PolarHBondContact O-N 3.35Å; M545-V548 VanDerWaalsContact O-N 3.14Å; M545-H549 PolarHBondContact O-CD2 2.9Å; M545-H549 PolarHBondContact O-N 3.37Å
546K51.1Low46.1Very low140 Ų140116.7 Ų116.761%0.60959%0.589SS**Hα-helixtrans-58.6-38171.5-72.7-174178.3174.70111.5I541 S550I541-K546 HydrophobicContact CG2-CG 3.74Å; K546-S550 VanDerWaalsContact O-CB 3.27Å; K546-S550 WeakPolarHBondContact O-CB 3.31Å; K546-S550 PolarHBondContact O-N 2.98Å
547R48.6Very low46.5Very low189 Ų189117.1 Ų117.171%0.71359%0.589SS**Hα-helixtrans-70.8-30.1176.6-168.7168.4-71.3176.1-0.2113.4P543 W544 M545 K551P543-R547 PolarHBondContact O-N 3.22Å; W544-R547 PolarHBondContact O-N 2.97Å; M545-R547 PolarHBondContact O-N 2.9Å; R547-K551 PolarHBondContact O-N 3.39Å
548V48.4Very low46.6Very low77 Ų77113.5 Ų113.547%0.46759%0.587SS.*Hα-helixtrans-71.4-49.8172.41710000111.1W544 M545 K551 A552W544-V548 HydrophobicContact CE3-CG2 4.05Å; W544-V548 HydrophobicContact CZ3-CG2 4.32Å; W544-V548 WeakPolarHBondContact O-CG2 3.48Å; W544-V548 PolarHBondContact O-N 3.08Å; M545-V548 PolarHBondContact O-N 3.35Å; M545-V548 VanDerWaalsContact O-N 3.14Å; V548-K551 PolarHBondContact O-N 3.35Å; V548-A552 WeakPolarHBondContact O-CB 3.43Å; V548-A552 PolarHBondContact O-N 2.87Å
549H47Very low47.1Very low127 Ų127114.7 Ų114.759%0.58859%0.587SS**Hα-helixtrans-68.8-37.5-177.3-78.6-108.6000113M545 K551 A552 S553M545-H549 PolarHBondContact O-CD2 2.9Å; M545-H549 PolarHBondContact O-N 3.37Å; H549-K551 VanDerWaalsContact C-N 3.31Å; H549-K551 PolarHBondContact O-N 3.36Å; H549-A552 PolarHBondContact O-N 3.22Å; H549-S553 PolarHBondContact O-N 3.04Å; H549-S553 PolarHBondContact O-OG 3.2Å
550S47.7Very low47.1Very low77 Ų77114.5 Ų114.554%0.53859%0.589SS.*Hα-helixtrans-64-33.5174.8-1770000113K546K546-S550 VanDerWaalsContact O-CB 3.27Å; K546-S550 WeakPolarHBondContact O-CB 3.31Å; K546-S550 PolarHBondContact O-N 2.98Å
551K43.4Very low47.4Very low142 Ų142117.2 Ų117.262%0.61760%0.601SS**Hα-helixtrans-81.5-32.1173.6-74.6-169.5172.2-171.20113.6R547 V548 H549 Q555R547-K551 PolarHBondContact O-N 3.39Å; V548-K551 PolarHBondContact O-N 3.35Å; H549-K551 VanDerWaalsContact C-N 3.31Å; H549-K551 PolarHBondContact O-N 3.36Å; K551-Q555 PolarHBondContact O-N 3.44Å
552A45.9Very low47Very low44 Ų44117.8 Ų117.836%0.36461%0.605SS.*Hα-helixtrans-61.7-53.5174.700000111.1V548 H549 R554 Q555 T556V548-A552 WeakPolarHBondContact O-CB 3.43Å; V548-A552 PolarHBondContact O-N 2.87Å; H549-A552 PolarHBondContact O-N 3.22Å; A552-R554 PolarHBondContact O-N 3.11Å; A552-R554 VanDerWaalsContact O-N 3.14Å; A552-Q555 PolarHBondContact O-N 3.06Å; A552-T556 WeakPolarHBondContact O-CG2 3.4Å; A552-T556 PolarHBondContact O-N 3.27Å; A552-T556 VanDerWaalsContact O-N 3.14Å; A552-T556 PolarHBondContact O-OG1 3.3Å
553S45Very low47.2Very low83 Ų83115.9 Ų115.958%0.5862%0.616SS**THydrogen-bonded Turntrans-68.3-12.9-177-570000114.8H549H549-S553 PolarHBondContact O-N 3.04Å; H549-S553 PolarHBondContact O-OG 3.2Å
554R46Very low46.8Very low223 Ų223121.9 Ų121.984%0.84263%0.625SS**THydrogen-bonded Turntrans-105.812.6172.9-67.1-167.9179.5-130.10.8114.1A552A552-R554 PolarHBondContact O-N 3.11Å; A552-R554 VanDerWaalsContact O-N 3.14Å
555Q48Very low46Very low132 Ų132119.7 Ų119.762%0.61762%0.622SS**THydrogen-bonded Turntrans-127.4-16.7171-67.5-168.7-10.300114.2K551 A552K551-Q555 PolarHBondContact O-N 3.44Å; A552-Q555 PolarHBondContact O-N 3.06Å
556T48.2Very low45.6Very low92 Ų92120.9 Ų120.956%0.56463%0.627SS**SBendtrans-76.3-29.217846.40000114.5A552A552-T556 WeakPolarHBondContact O-CG2 3.4Å; A552-T556 PolarHBondContact O-N 3.27Å; A552-T556 VanDerWaalsContact O-N 3.14Å; A552-T556 PolarHBondContact O-OG1 3.3Å
557V41.8Very low45.3Very low125 Ų125122 Ų12276%0.75864%0.637SS**SBendtrans-79.8-30.3-178.7-172.40000112.4
558G38.5Very low45.1Very low72 Ų72121.4 Ų121.474%0.74264%0.64SS**SBendtrans-89.2-4-173.400000116.7
559K46.4Very low44.9Very low170 Ų170126.8 Ų126.874%0.73966%0.657SS**SBendtrans-131.12.8-173.7-65.7-170.3177.1-174.30115.4
560S43.4Very low44.5Very low95 Ų95129.8 Ų129.866%0.66467%0.671SS**SBendtrans-80.6-26.1-178.2-163.20000114.1
561L44.7Very low44.3Very low132 Ų132132.2 Ų132.269%0.69168%0.683SS**SBendtrans-89.6-29.6-172.4-87.6161.8000115.5A563 R564L561-A563 VanDerWaalsContact C-N 3.32Å; L561-A563 PolarHBondContact O-N 3.44Å; L561-R564 PolarHBondContact O-N 3.17Å
562N42.8Very low44.1Very low90 Ų90130.1 Ų130.148%0.48169%0.693SS.*Hα-helixtrans-79-12.3-170-146.52.9000114.1Q566N562-Q566 VanDerWaalsContact CG-NE2 3.32Å; N562-Q566 PolarHBondContact ND2-NE2 3.34Å; N562-Q566 WeakPolarHBondContact O-CG 3.44Å; N562-Q566 PolarHBondContact OD1-NE2 3.39Å
563A44Very low43.7Very low90 Ų90134.2 Ų134.274%0.74471%0.708SS**Hα-helixtrans-86.1-8.9174.100000114L561L561-A563 VanDerWaalsContact C-N 3.32Å; L561-A563 PolarHBondContact O-N 3.44Å
564R44.1Very low43.6Very low226 Ų226136.2 Ų136.285%0.85372%0.716SS**Hα-helixtrans-120.61.5-177.7-153.5170.1-177.7175.2-0.6114L561L561-R564 PolarHBondContact O-N 3.17Å
565H47.1Very low43.3Very low121 Ų121132.3 Ų132.356%0.5671%0.712SS**Hα-helixtrans-111.6-17179-111.794.9000115.1I567 K568H565-I567 VanDerWaalsContact C-N 3.31Å; H565-I567 PolarHBondContact O-N 2.82Å; H565-K568 PolarHBondContact O-N 3.32Å
566Q46.4Very low42.9Very low92 Ų92130.6 Ų130.643%0.4371%0.712SS.*G310 helixtrans-77.2-14.8-178.2-63.9-16712.100114.3T107 N562 K568T107-Q566 PolarHBondContact OG1-NE2 2.86Å; N562-Q566 VanDerWaalsContact CG-NE2 3.32Å; N562-Q566 PolarHBondContact ND2-NE2 3.34Å; N562-Q566 WeakPolarHBondContact O-CG 3.44Å; N562-Q566 PolarHBondContact OD1-NE2 3.39Å; Q566-K568 PolarHBondContact O-N 3.42Å
567I44.7Very low42.3Very low162 Ų162133.1 Ų133.183%0.83172%0.721SS**G310 helixtrans-80.57.4173.8-63.4167.5000111.6H565H565-I567 VanDerWaalsContact C-N 3.31Å; H565-I567 PolarHBondContact O-N 2.82Å
568K43Very low41.9Very low178 Ų178135.7 Ų135.777%0.77473%0.725SS**G310 helixtrans-133.219-176.9-104-171.6175.1-170.80116H565 Q566H565-K568 PolarHBondContact O-N 3.32Å; Q566-K568 PolarHBondContact O-N 3.42Å
569K44.9Very low41.7Very low189 Ų189140.1 Ų140.182%0.82273%0.725SS**SBendtrans-14434.6-179.9-111.4-176.8-178-1750115.9
570Q39.2Very low41.2Very low190 Ų190139.5 Ų139.589%0.88873%0.73SS**SBendtrans-125.218.2170.5-76.6-170.3-13.100113.7
571T43.3Very low40.8Very low128 Ų128142.4 Ų142.479%0.78573%0.733SS**SBendtrans-119147.5170.332.70000110.3
572A37.9Very low40.6Very low99 Ų99141.2 Ų141.282%0.81873%0.733SS**  trans70.468.1176.100000118.4
573L39.5Very low40.3Very low130 Ų130143.4 Ų143.468%0.68174%0.74SS**  trans-138109134.2-76.5-178000106.6L111L111-L573 HydrophobicContact CD2-CD1 3.58Å
574V41.8Very low39.9Very low124 Ų124145.5 Ų145.575%0.75274%0.735SS**  76.4123.792.9162.20000112.5
575N39.2Very low39.6Very low141 Ų141140.5 Ų140.575%0.75472%0.724SS**  cis-159.4-162.1-16-144.43.9000110.1
576P39.9Very low39.4Very low96 Ų96141.9 Ų141.962%0.62373%0.734SS**  -118.2-147.7-122.341-21.3000114.4
577I35.2Very low39.3Very low146 Ų146146.9 Ų146.975%0.74975%0.754SS**  trans83.8125.4177.5-53.6171000112.3
578Q34.7Very low39.3Very low179 Ų179143.4 Ų143.484%0.83674%0.735SS**  cis-149.5138.73.4-132.6157.76.900112.4
579H34.1Very low39.2Very low164 Ų164141.3 Ų141.376%0.75973%0.727SS**  trans27.7103.5140.3-169.2-71.8000120.6
580L35.3Very low39Very low158 Ų158142.6 Ų142.683%0.82773%0.729SS**  trans-173.2105.1131.4-102.9163.7000110.7
581E35.4Very low39.2Very low156 Ų156140.7 Ų140.773%0.72972%0.719SS**  trans-86.4178.6163-125.5-145.4111.600108.8E583E581-E583 PolarHBondContact OE1-N 3.28Å
582P39.4Very low39.1Very low106 Ų106140.1 Ų140.169%0.68871%0.707SS**  cis-152.2174.437.147.9-27000120.4
583E38.1Very low39.2Very low137 Ų137143.5 Ų143.564%0.6471%0.706SS**  trans75.9103.6150.6-47-148156.500122.3E581 L585E581-E583 PolarHBondContact OE1-N 3.28Å; E583-L585 VanDerWaalsContact C-N 3.27Å; E583-L585 PolarHBondContact O-N 3.29Å
584E35.5Very low39.2Very low134 Ų134145.6 Ų145.663%0.62671%0.712SS**  49-14112.4-73.9-111.970.300123.8I586 Q588E584-I586 PolarHBondContact O-N 3.34Å; E584-Q588 PolarHBondContact OE1-NE2 3.17Å; E584-Q588 PolarHBondContact OE2-NE2 3.44Å
585L36Very low39.1Very low120 Ų120146.7 Ų146.763%0.62871%0.709SS**THydrogen-bonded Turntrans-80.6-4.5-154-86.1168.4000119.2E583 H589E583-L585 VanDerWaalsContact C-N 3.27Å; E583-L585 PolarHBondContact O-N 3.29Å; L585-H589 WeakPolarHBondContact O-CB 3.4Å
586I43.4Very low39Very low151 Ų151148.2 Ų148.277%0.77471%0.711SS**THydrogen-bonded Turntrans-117.9-8-172.4-64-178.9000114.8E584E584-I586 PolarHBondContact O-N 3.34Å
587K45.4Very low39Very low197 Ų197149.6 Ų149.686%0.85772%0.718SS**THydrogen-bonded Turntrans-118.4-10.4173.3-80.1-174.5176.8176.10116.6
588Q44.7Very low39.1Very low89 Ų89151.1 Ų151.142%0.41672%0.722SS.*SBendtrans-77.5-30.4157.2-60.3-145.326.500111.8E584 Y590 H591 H592E584-Q588 PolarHBondContact OE1-NE2 3.17Å; E584-Q588 PolarHBondContact OE2-NE2 3.44Å; Q588-Y590 PolarHBondContact O-N 2.82Å; Q588-H591 PolarHBondContact O-N 3.47Å; Q588-H592 WeakPolarHBondContact O-CB 3.39Å; Q588-H592 PolarHBondContact O-N 3.02Å
589H40.3Very low39.2Very low134 Ų134151.2 Ų151.262%0.6272%0.722SS**THydrogen-bonded Turntrans-66.1-7.9-172.5-151.592.5000116L585L585-H589 WeakPolarHBondContact O-CB 3.4Å
590Y39.7Very low39.3Very low216 Ų216152.7 Ų152.785%0.84773%0.726SS**THydrogen-bonded Turntrans-119.211.4172.2-106.5-85.7000113.9Q588Q588-Y590 PolarHBondContact O-N 2.82Å
591H43.9Very low39.4Very low150 Ų150153.9 Ų153.969%0.69473%0.725SS**THydrogen-bonded Turntrans-132.2-16.5174.4-140.260.7000114.3Q588Q588-H591 PolarHBondContact O-N 3.47Å
592H41.7Very low39.4Very low116 Ų116153.8 Ų153.854%0.53773%0.729SS.*SBendtrans-91.9-3.1178.8-152.4-66.1000114.1Q588Q588-H592 WeakPolarHBondContact O-CB 3.39Å; Q588-H592 PolarHBondContact O-N 3.02Å
593H40Very low39.3Very low170 Ų170158.8 Ų158.879%0.78774%0.74SS**THydrogen-bonded Turntrans-96.220-179.3-148.2-63.2000114.2
594H40.1Very low39.2Very low174 Ų174161.2 Ų161.281%0.80675%0.752SS**THydrogen-bonded Turntrans-141.927.7-178.3-145.368.1000114.2
595Q39.7Very low39.3Very low146 Ų146159.9 Ų159.968%0.68276%0.757SS**SBendtrans-125.318.2176.8-62.4-166.89.500113.6
596H36.6Very low39.4Very low173 Ų173163.8 Ų163.880%0.80177%0.769SS**SBendtrans-118.425.9-174.9-110-76.7000114.8
597T40.2Very low39.1Very low125 Ų125162.7 Ų162.777%0.76777%0.772SS**SBendtrans-132.35.3-179.1-24.30000114.7
598E37.1Very low38.6Very low179 Ų179161.2 Ų161.284%0.83677%0.773SS**  trans-130.168.3-175.4-77.4-65.8168.500112
599H35.7Very low38.1Very low181 Ų181162.7 Ų162.784%0.83879%0.788SS**  trans-151.314.2172.2-139.6-69.9000116.5
600F37.9Very low38Very low194 Ų194164.9 Ų164.985%0.85180%0.796SS**SBendtrans-125.6122.2174.7-95.5-85.2000112.2
601K37.5Very low38Very low184 Ų184161.6 Ų161.680%0.879%0.788SS**  trans61.991.8167.4-54.5176.4-176.11770115.9
602N34.7Very low37.7Very low153 Ų153161.2 Ų161.282%0.81879%0.79SS**  -155.8107.6115.8-98.6-22.1000112.2
603K37.4Very low37.5Very low212 Ų212159.9 Ų159.992%0.92279%0.793SS**  trans-134.182.7161.5-93-170174.2-179.70107
604E35.5Very low37.5Very low187 Ų187157.1 Ų157.187%0.87479%0.789SS**  trans-77.5140.7163.4-69.8-166115.200109.7
605S38.8Very low37.5Very low106 Ų106156.3 Ų156.374%0.74179%0.785SS**  trans-146.791.5175.263.60000112.3
606K37.5Very low37.5Very low202 Ų202156 Ų15688%0.87878%0.784SS**  trans62.8121.8159.2-57.6-177.9178.6-1780118.1
607P36.5Very low37.5Very low129 Ų129154.3 Ų154.384%0.83878%0.776SS**  trans-78.6164.2158.935.2-34.3000111.3
608N34.6Very low37.4Very low165 Ų165154.5 Ų154.588%0.88277%0.772SS**  trans-148.7158.6161.1-149.3-13.9000110.5
609T34.4Very low37.4Very low120 Ų120152.2 Ų152.274%0.73677%0.765SS**  trans-101.5166.8-148.1-45.60000115.2
610K38.6Very low37.4Very low180 Ų180150 Ų15078%0.78376%0.759SS**  trans108.2144.9160.2-61.9169.8-179.5-175.80114.5
611H39.4Very low37.4Very low148 Ų148147.7 Ų147.769%0.68575%0.751SS**  cis-163.1155-2.4-126.2-57.8000111
612I38.8Very low37.4Very low142 Ų142145.9 Ų145.973%0.72875%0.745SS**  trans67.1146.5146.3-87.2154.4000119.3
613S37.7Very low37.6Very low87 Ų87143.7 Ų143.761%0.60874%0.737SS**  cis-172.9164.9-29.5-96.20000110.6
614T39.7Very low37.8Very low112 Ų112138.9 Ų138.969%0.68773%0.73SS**  trans62.5112.6149.445.80000119.7
615E39.9Very low38.2Very low157 Ų157135.3 Ų135.373%0.73472%0.723SS**  83.2153.887.7-77.2-169.9117.600113.5
616Q39.1Very low38.5Very low139 Ų139135.3 Ų135.365%0.6572%0.721SS**  cis-160.2172.91.8-126.1-169.159.600106.8
617H36.8Very low38.4Very low138 Ų138132.7 Ų132.764%0.63972%0.715SS**  cis-171.3-172.4-4.8-154.6166000109.4
618L38.2Very low38.3Very low130 Ų130130.9 Ų130.968%0.68171%0.705SS**  trans67.4116.6158.9-60.9172.4000118.1
619N36.9Very low38.2Very low131 Ų131129.7 Ų129.770%0.70170%0.697SS**  83.1143.372.8-78.2-0000113.7
620L35.8Very low38.2Very low134 Ų134129.6 Ų129.670%0.70270%0.697SS**  cis-163.4164.83-109.9160.1000109.6
621H37.6Very low38.1Very low146 Ų146128.5 Ų128.568%0.67669%0.694SS**  trans65.3155.4161.7-86.5-134.9000118
622E37.1Very low38Very low145 Ų145126.4 Ų126.468%0.67869%0.692SS**  cis-157.6166.8-14.6-131.7179.1153.600112.1
623T39.9Very low38Very low108 Ų108125.2 Ų125.266%0.66370%0.697SS**  trans37.8102.6157.459.40000122.9
624S42.2Very low38.1Very low110 Ų110129.8 Ų129.877%0.76971%0.708SS**  68.6-178.1121.5-37.40000118.6
625P42.2Very low38Very low113 Ų113131.1 Ų131.173%0.73472%0.717SS**  -137.6-157.5-117.539.7-15.1000113.6
626P45.3Very low37.8Very low105 Ų105128.3 Ų128.368%0.68272%0.72SS**  cis-120-152.1-32.719.26000110.6
627I35.2Very low38Very low148 Ų148127.2 Ų127.276%0.75972%0.723SS**  trans98.7121.5151.1-60.5170.5000118.4
628S35.2Very low38.1Very low91 Ų91128.8 Ų128.864%0.63673%0.733SS**  trans86.595.2151.9-72.50000123.4
629I31.8Very low38.6Very low140 Ų140129.5 Ų129.572%0.71874%0.736SS**  67.2110.6108.3-65162.3000118.7
630T34.9Very low39.1Very low117 Ų117128.5 Ų128.572%0.71873%0.731SS**  trans70.1151.4155.760.50000118.6
631Q36.9Very low39.8Very low157 Ų157128.1 Ų128.173%0.73473%0.729SS**  cis-151.6154.513.1-138.9157.478.200113.5
632T36.6Very low40.3Very low105 Ų105128.3 Ų128.364%0.64473%0.73SS**  trans50.1106154.245.60000122.2
633S39.2Very low40.9Very low117 Ų117124.9 Ų124.982%0.81872%0.721SS**  17899120-76.50000109.3
634Q39.1Very low41.4Very low182 Ų182122.8 Ų122.885%0.8571%0.712SS**  66.552.877.8-65.5-16216.700117.5
635T37.8Very low42.1Very low141 Ų141121.4 Ų121.487%0.86570%0.699SS**  trans-157.888.3151.647.20000112.4
636A35.8Very low42.9Very low98 Ų98120.7 Ų120.781%0.8169%0.688SS**  trans172.666156.200000114.5
637T43.9Very low43.5Very low115 Ų115120.3 Ų120.371%0.70668%0.68SS**  trans-141.964.9171.943.30000112.3
638M38.8Very low44.5Very low172 Ų172120.2 Ų120.285%0.84768%0.676SS**SBendtrans-113.824.5174-148.9-162.278.400113.2
639L48.6Very low45.8Very low144 Ų144120.2 Ų120.275%0.75467%0.672SS**SBendtrans-126.4-29-178.8-68.8172.8000113.8I641L639-I641 VanDerWaalsContact C-N 3.3Å; L639-I641 PolarHBondContact O-N 3.44Å
640D48Very low47.1Very low110 Ų110116.8 Ų116.859%0.58866%0.655SS**THydrogen-bonded Turntrans-72.9-15.7-172.5-53-65.7000115.1Q642D640-Q642 VanDerWaalsContact C-N 3.28Å; D640-Q642 PolarHBondContact O-N 3.3Å
641I49.4Very low48.5Very low127 Ų127120.5 Ų120.565%0.65166%0.656SS**Hα-helixtrans-70.7-23-177.2-62.4176.3000112.1L639 S644 T645L639-I641 VanDerWaalsContact C-N 3.3Å; L639-I641 PolarHBondContact O-N 3.44Å; I641-S644 PolarHBondContact O-OG 2.96Å; I641-T645 PolarHBondContact O-OG1 2.93Å
642Q47.5Very low49.7Very low150 Ų150115.6 Ų115.670%0.70164%0.642SS**Hα-helixtrans-79.9-30.6-179.5-68.6-172.2-13.200113.2D640 I646D640-Q642 VanDerWaalsContact C-N 3.28Å; D640-Q642 PolarHBondContact O-N 3.3Å; Q642-I646 WeakPolarHBondContact O-CG1 3.35Å; Q642-I646 PolarHBondContact O-N 3.14Å
643S50.4Low50.8Low72 Ų72117.8 Ų117.850%0.50364%0.639SS.*Hα-helixtrans-69.6-46.1-177.6-1600000112.4T645 I646 D647S643-T645 PolarHBondContact O-N 3.01Å; S643-I646 WeakPolarHBondContact O-CB 3.37Å; S643-I646 PolarHBondContact O-N 2.86Å; S643-D647 PolarHBondContact O-N 3.02Å; S643-D647 VanDerWaalsContact O-N 3.16Å
644S50.1Low51.7Low65 Ų65116.8 Ų116.846%0.45562%0.624SS.*Hα-helixtrans-63.3-26.4-179.257.60000113.6I641 Q648I641-S644 PolarHBondContact O-OG 2.96Å; S644-Q648 WeakPolarHBondContact O-CG 3.49Å; S644-Q648 PolarHBondContact O-N 2.92Å
645T58.4Low52.8Low81 Ų81111.6 Ų111.650%0.49760%0.603SS.*Hα-helixtrans-72.3-38.3173.9-54.50000111.4I641 S643 V649I641-T645 PolarHBondContact O-OG1 2.93Å; S643-T645 PolarHBondContact O-N 3.01Å; T645-V649 WeakPolarHBondContact O-CG2 3.49Å; T645-V649 PolarHBondContact O-N 3.14Å
646I58.4Low53.8Low98 Ų98111.6 Ų111.650%0.50359%0.593SS.*Hα-helixtrans-65.2-42.4177.4-69.1167.3000110.5Q642 S643 Q648 V649 N650Q642-I646 WeakPolarHBondContact O-CG1 3.35Å; Q642-I646 PolarHBondContact O-N 3.14Å; S643-I646 WeakPolarHBondContact O-CB 3.37Å; S643-I646 PolarHBondContact O-N 2.86Å; I646-Q648 PolarHBondContact O-N 3.25Å; I646-V649 PolarHBondContact O-N 3.35Å; I646-N650 VanDerWaalsContact O-CG 3.32Å; I646-N650 PolarHBondContact O-N 3.15Å; I646-N650 PolarHBondContact O-ND2 2.91Å
647D56.7Low54.8Low96 Ų96111.9 Ų111.951%0.51358%0.577SS.*Hα-helixtrans-66.5-37.6179.8-66.7-38.7000112.9S643 N650 W651S643-D647 PolarHBondContact O-N 3.02Å; S643-D647 VanDerWaalsContact O-N 3.16Å; D647-N650 PolarHBondContact O-N 3.21Å; D647-W651 WeakPolarHBondContact O-CB 3.35Å; D647-W651 PolarHBondContact O-N 3.23Å
648Q57.3Low55.5Low146 Ų146109.3 Ų109.368%0.68256%0.563SS**Hα-helixtrans-64.7-39.5172.9-71.5-176.918.100112.4S644 I646 W651 A652S644-Q648 WeakPolarHBondContact O-CG 3.49Å; S644-Q648 PolarHBondContact O-N 2.92Å; I646-Q648 PolarHBondContact O-N 3.25Å; Q648-W651 PolarHBondContact O-N 3.05Å; Q648-A652 WeakPolarHBondContact O-CB 3.46Å; Q648-A652 PolarHBondContact O-N 2.7Å
649V62Low56.5Low92 Ų92105.8 Ų105.856%0.55855%0.545SS*.Hα-helixtrans-67.3-40.1176.1171.30000111.3T645 I646 A652 R653T645-V649 WeakPolarHBondContact O-CG2 3.49Å; T645-V649 PolarHBondContact O-N 3.14Å; I646-V649 PolarHBondContact O-N 3.35Å; V649-A652 PolarHBondContact O-N 3.2Å; V649-R653 WeakPolarHBondContact O-CB 3.47Å; V649-R653 PolarHBondContact O-N 2.83Å
650N59.1Low57.2Low68 Ų68102 Ų10236%0.36453%0.527SS..Hα-helixtrans-62.8-48174.3-71.3-29.7000111.2I646 D647 A652 R653 D654I646-N650 VanDerWaalsContact O-CG 3.32Å; I646-N650 PolarHBondContact O-N 3.15Å; I646-N650 PolarHBondContact O-ND2 2.91Å; D647-N650 PolarHBondContact O-N 3.21Å; N650-A652 VanDerWaalsContact C-N 3.32Å; N650-A652 PolarHBondContact O-N 3.28Å; N650-R653 WeakPolarHBondContact O-CB 3.5Å; N650-R653 PolarHBondContact O-N 2.69Å; N650-D654 PolarHBondContact O-N 3.16Å
651W63.6Low57.8Low194 Ų194101.1 Ų101.174%0.73552%0.523SS*.Hα-helixtrans-61-39.3178.6-16175000112.3D647 Q648 N655D647-W651 WeakPolarHBondContact O-CB 3.35Å; D647-W651 PolarHBondContact O-N 3.23Å; Q648-W651 PolarHBondContact O-N 3.05Å; W651-N655 VanDerWaalsContact CD2-ND2 3.33Å; W651-N655 WeakPolarHBondContact O-CB 3.41Å; W651-N655 PolarHBondContact O-N 3.36Å; W651-N655 VanDerWaalsContact O-N 3.1Å; W651-N655 PolarHBondContact O-ND2 2.85Å
652A62.4Low58.4Low54 Ų54100.3 Ų100.345%0.44652%0.516SS..Hα-helixtrans-65.1-39.917300000112.5Q648 V649 N650 H656Q648-A652 WeakPolarHBondContact O-CB 3.46Å; Q648-A652 PolarHBondContact O-N 2.7Å; V649-A652 PolarHBondContact O-N 3.2Å; N650-A652 VanDerWaalsContact C-N 3.32Å; N650-A652 PolarHBondContact O-N 3.28Å; A652-H656 PolarHBondContact O-N 3.18Å
653R60.9Low59Low152 Ų15297.9 Ų97.957%0.57451%0.505SS*.Hα-helixtrans-67.6-41.7-179.9-160.5177.887.2137.24.9112.5V649 N650 H656 H657V649-R653 WeakPolarHBondContact O-CB 3.47Å; V649-R653 PolarHBondContact O-N 2.83Å; N650-R653 WeakPolarHBondContact O-CB 3.5Å; N650-R653 PolarHBondContact O-N 2.69Å; R653-H656 PolarHBondContact O-N 3.39Å; R653-H657 PolarHBondContact O-N 2.95Å
654D58Low59.6Low95 Ų9599.2 Ų99.251%0.50850%0.503SS..Hα-helixtrans-74.7-33.7-179.3-66.2-18.7000111.7N650 H656 H657 S658N650-D654 PolarHBondContact O-N 3.16Å; D654-H656 VanDerWaalsContact C-N 3.34Å; D654-H656 PolarHBondContact O-N 2.99Å; D654-H657 PolarHBondContact O-N 3.08Å; D654-S658 WeakPolarHBondContact O-CB 3.34Å; D654-S658 PolarHBondContact O-N 3.02Å
655N60.8Low60.1Low74 Ų74102.2 Ų102.240%0.39651%0.51SS..Hα-helixtrans-62.6-38.2167.6-84.8-70.5000112.4W651 S658 H659W651-N655 VanDerWaalsContact CD2-ND2 3.33Å; W651-N655 WeakPolarHBondContact O-CB 3.41Å; W651-N655 PolarHBondContact O-N 3.36Å; W651-N655 VanDerWaalsContact O-N 3.1Å; W651-N655 PolarHBondContact O-ND2 2.85Å; N655-S658 WeakPolarHBondContact O-CB 3.5Å; N655-S658 PolarHBondContact O-N 2.83Å; N655-H659 PolarHBondContact O-N 3.32Å
656H59.6Low60.2Low141 Ų141103.9 Ų103.965%0.65352%0.515SS*.Hα-helixtrans-66.4-39.6174.6-115.5-62000112.5A652 R653 D654 H659 V660A652-H656 PolarHBondContact O-N 3.18Å; R653-H656 PolarHBondContact O-N 3.39Å; D654-H656 VanDerWaalsContact C-N 3.34Å; D654-H656 PolarHBondContact O-N 2.99Å; H656-H659 PolarHBondContact O-N 3.46Å; H656-V660 WeakPolarHBondContact O-CG2 3.26Å; H656-V660 PolarHBondContact O-N 3.48Å; H656-V660 VanDerWaalsContact O-N 3.11Å
657H56.6Low60.5Low103 Ų103103.8 Ų103.848%0.47751%0.514SS..Hα-helixtrans-66.1-37.4172.5-88-61.4000112.7R653 D654 V660 N661R653-H657 PolarHBondContact O-N 2.95Å; D654-H657 PolarHBondContact O-N 3.08Å; H657-V660 PolarHBondContact O-N 3.31Å; H657-N661 WeakPolarHBondContact O-CB 3.5Å; H657-N661 VanDerWaalsContact O-CG 3.27Å; H657-N661 PolarHBondContact O-N 2.91Å; H657-N661 PolarHBondContact O-ND2 3.29Å
658S58.7Low60.7Low61 Ų61104.4 Ų104.443%0.42751%0.514SS..Hα-helixtrans-56.7-49.7172.5178.60000111.7D654 N655 N661 Q662D654-S658 WeakPolarHBondContact O-CB 3.34Å; D654-S658 PolarHBondContact O-N 3.02Å; N655-S658 WeakPolarHBondContact O-CB 3.5Å; N655-S658 PolarHBondContact O-N 2.83Å; S658-N661 PolarHBondContact O-N 3Å; S658-Q662 PolarHBondContact O-N 2.78Å
659H59.9Low60.7Low98 Ų98100.5 Ų100.545%0.45450%0.503SS..Hα-helixtrans-67.3-38.8-179.3-165.873.7000113.1N655 H656 N661 Q662 Q663N655-H659 PolarHBondContact O-N 3.32Å; H656-H659 PolarHBondContact O-N 3.46Å; H659-N661 VanDerWaalsContact C-N 3.34Å; H659-Q662 PolarHBondContact O-N 2.94Å; H659-Q663 PolarHBondContact CD2-NE2 3.02Å; H659-Q663 VanDerWaalsContact CD2-NE2 3.3Å; H659-Q663 PolarHBondContact NE2-NE2 3.15Å; H659-Q663 PolarHBondContact O-N 2.88Å
660V63.9Low60.7Low64 Ų6499.2 Ų99.239%0.38850%0.498SS..Hα-helixtrans-65.7-37.4174.3173.30000111.4H656 H657 Q663 H664H656-V660 WeakPolarHBondContact O-CG2 3.26Å; H656-V660 PolarHBondContact O-N 3.48Å; H656-V660 VanDerWaalsContact O-N 3.11Å; H657-V660 PolarHBondContact O-N 3.31Å; V660-Q663 PolarHBondContact O-N 3.38Å; V660-H664 PolarHBondContact O-N 3.15Å
661N60.3Low60.8Low92 Ų9299.6 Ų99.649%0.49250%0.5SS..Hα-helixtrans-67.7-36.3175.1-75.2-19.8000112.5H657 S658 H659 H664 Q665H657-N661 WeakPolarHBondContact O-CB 3.5Å; H657-N661 VanDerWaalsContact O-CG 3.27Å; H657-N661 PolarHBondContact O-N 2.91Å; H657-N661 PolarHBondContact O-ND2 3.29Å; S658-N661 PolarHBondContact O-N 3Å; H659-N661 VanDerWaalsContact C-N 3.34Å; N661-H664 PolarHBondContact O-N 3.09Å; N661-Q665 WeakPolarHBondContact O-CG 3.26Å; N661-Q665 PolarHBondContact O-N 3.5Å
662Q61.1Low60.3Low110 Ų11094.5 Ų94.551%0.51449%0.487SS..Hα-helixtrans-62.6-43.3170.5-78.1-172.2-9.200111.9S658 H659 H664 Q665 L666S658-Q662 PolarHBondContact O-N 2.78Å; H659-Q662 PolarHBondContact O-N 2.94Å; Q662-H664 VanDerWaalsContact C-N 3.34Å; Q662-H664 PolarHBondContact O-N 3.38Å; Q662-Q665 PolarHBondContact O-N 3.06Å; Q662-L666 WeakPolarHBondContact O-CG 3.44Å; Q662-L666 PolarHBondContact O-N 3.14Å
663Q61.3Low60Low99 Ų9995.5 Ų95.546%0.46349%0.49SS..Hα-helixtrans-63-39.9175.3-68.2-173.715.300111.9H659 V660 L666 I667H659-Q663 PolarHBondContact CD2-NE2 3.02Å; H659-Q663 VanDerWaalsContact CD2-NE2 3.3Å; H659-Q663 PolarHBondContact NE2-NE2 3.15Å; H659-Q663 PolarHBondContact O-N 2.88Å; V660-Q663 PolarHBondContact O-N 3.38Å; Q663-L666 PolarHBondContact O-N 2.82Å; Q663-I667 WeakPolarHBondContact O-CB 3.42Å; Q663-I667 WeakPolarHBondContact O-CD1 3.39Å; Q663-I667 VanDerWaalsContact O-CG1 3.26Å; Q663-I667 WeakPolarHBondContact O-CG1 3.43Å; Q663-I667 PolarHBondContact O-N 3.42Å
664H61.7Low59.8Low100 Ų10094.5 Ų94.546%0.46350%0.495SS..Hα-helixtrans-61.5-45.6172.5-96-105.2000112.6V660 N661 Q662 L666 I667 E668V660-H664 PolarHBondContact O-N 3.15Å; N661-H664 PolarHBondContact O-N 3.09Å; Q662-H664 VanDerWaalsContact C-N 3.34Å; Q662-H664 PolarHBondContact O-N 3.38Å; H664-L666 PolarHBondContact O-N 3.25Å; H664-I667 PolarHBondContact O-N 3.24Å; H664-E668 WeakPolarHBondContact O-CB 3.32Å; H664-E668 WeakPolarHBondContact O-CG 3.31Å; H664-E668 PolarHBondContact O-N 3.44Å
665Q60.3Low59.7Low129 Ų12996.5 Ų96.560%0.60350%0.499SS*.Hα-helixtrans-64.3-36.8178-73.7175.2-1.100112.8N661 Q662 S669N661-Q665 WeakPolarHBondContact O-CG 3.26Å; N661-Q665 PolarHBondContact O-N 3.5Å; Q662-Q665 PolarHBondContact O-N 3.06Å; Q665-S669 VanDerWaalsContact O-CB 3.31Å; Q665-S669 WeakPolarHBondContact O-CB 3.23Å; Q665-S669 PolarHBondContact O-N 3.38Å; Q665-S669 PolarHBondContact O-OG 2.98Å
666L61.2Low59.2Low116 Ų11697.8 Ų97.861%0.60751%0.514SS*.Hα-helixtrans-67-35.6173.3-70.9169.5000112.2Q662 Q663 H664 S669 S670Q662-L666 WeakPolarHBondContact O-CG 3.44Å; Q662-L666 PolarHBondContact O-N 3.14Å; Q663-L666 PolarHBondContact O-N 2.82Å; H664-L666 PolarHBondContact O-N 3.25Å; L666-S669 PolarHBondContact O-OG 3.35Å; L666-S670 VanDerWaalsContact O-CB 3.32Å; L666-S670 WeakPolarHBondContact O-CB 3.44Å; L666-S670 PolarHBondContact O-N 3.06Å; L666-S670 PolarHBondContact O-OG 3.14Å
667I64.2Low58.7Low95 Ų9595.8 Ų95.849%0.48752%0.516SS..Hα-helixtrans-71.7-44.6174.9-70.4165.4000111.1Q663 H664 S670 I671Q663-I667 WeakPolarHBondContact O-CB 3.42Å; Q663-I667 WeakPolarHBondContact O-CD1 3.39Å; Q663-I667 VanDerWaalsContact O-CG1 3.26Å; Q663-I667 WeakPolarHBondContact O-CG1 3.43Å; Q663-I667 PolarHBondContact O-N 3.42Å; H664-I667 PolarHBondContact O-N 3.24Å; I667-S670 PolarHBondContact O-N 3.03Å; I667-I671 HydrophobicContact CG2-CD1 3.68Å; I667-I671 HydrophobicContact CG2-CG1 4.47Å; I667-I671 WeakPolarHBondContact O-CB 3.48Å; I667-I671 VanDerWaalsContact O-CG1 3.26Å; I667-I671 WeakPolarHBondContact O-CG1 3.39Å; I667-I671 PolarHBondContact O-N 3.31Å
668E61.1Low58.5Low109 Ų10999.7 Ų99.751%0.50953%0.532SS..Hα-helixtrans-67.9-44.5-179.3-73.1180166.400112.1H664 S670 I671 D672H664-E668 WeakPolarHBondContact O-CB 3.32Å; H664-E668 WeakPolarHBondContact O-CG 3.31Å; H664-E668 PolarHBondContact O-N 3.44Å; E668-S670 VanDerWaalsContact C-N 3.31Å; E668-S670 PolarHBondContact O-N 3.3Å; E668-I671 PolarHBondContact O-N 3.45Å; E668-I671 VanDerWaalsContact O-N 3.14Å; E668-D672 PolarHBondContact O-N 2.86Å
669S57.5Low57.3Low64 Ų64101.3 Ų101.345%0.44854%0.542SS..Hα-helixtrans-62.6-34.7173.555.50000113.1Q665 L666 S673Q665-S669 VanDerWaalsContact O-CB 3.31Å; Q665-S669 WeakPolarHBondContact O-CB 3.23Å; Q665-S669 PolarHBondContact O-N 3.38Å; Q665-S669 PolarHBondContact O-OG 2.98Å; L666-S669 PolarHBondContact O-OG 3.35Å; S669-S673 WeakPolarHBondContact O-CB 3.38Å; S669-S673 PolarHBondContact O-N 3.45Å; S669-S673 PolarHBondContact O-OG 3.4Å
670S62.9Low56.3Low65 Ų65104.5 Ų104.546%0.45556%0.56SS.*Hα-helixtrans-66-44.1171.2-61.80000111.9L666 I667 E668 S673 I674L666-S670 VanDerWaalsContact O-CB 3.32Å; L666-S670 WeakPolarHBondContact O-CB 3.44Å; L666-S670 PolarHBondContact O-N 3.06Å; L666-S670 PolarHBondContact O-OG 3.14Å; I667-S670 PolarHBondContact O-N 3.03Å; E668-S670 VanDerWaalsContact C-N 3.31Å; E668-S670 PolarHBondContact O-N 3.3Å; S670-S673 PolarHBondContact O-N 3.33Å; S670-I674 WeakPolarHBondContact O-CD1 3.39Å; S670-I674 VanDerWaalsContact O-CG1 3.28Å; S670-I674 WeakPolarHBondContact O-CG1 3.48Å; S670-I674 PolarHBondContact O-N 3.14Å; S670-I674 VanDerWaalsContact O-N 3.08Å
671I60.8Low55.5Low77 Ų77108.5 Ų108.540%0.39558%0.578SS.*Hα-helixtrans-64.5-41.3178.7-75.4168.7000111.3I667 E668 I674 K675I667-I671 HydrophobicContact CG2-CD1 3.68Å; I667-I671 HydrophobicContact CG2-CG1 4.47Å; I667-I671 WeakPolarHBondContact O-CB 3.48Å; I667-I671 VanDerWaalsContact O-CG1 3.26Å; I667-I671 WeakPolarHBondContact O-CG1 3.39Å; I667-I671 PolarHBondContact O-N 3.31Å; E668-I671 PolarHBondContact O-N 3.45Å; E668-I671 VanDerWaalsContact O-N 3.14Å; I671-I674 PolarHBondContact O-N 2.87Å; I671-K675 HydrophobicContact CG2-CD 4.39Å; I671-K675 VanDerWaalsContact CG2-CE 3.43Å; I671-K675 WeakPolarHBondContact O-CG 3.44Å; I671-K675 PolarHBondContact O-N 2.91Å
672D53.5Low54.3Low87 Ų87110.2 Ų110.247%0.46559%0.587SS.*Hα-helixtrans-74.7-31179.9-72.6-15.7000112.5E668 I674 K675 S676E668-D672 PolarHBondContact O-N 2.86Å; D672-I674 VanDerWaalsContact C-N 3.32Å; D672-I674 PolarHBondContact O-N 3.36Å; D672-K675 PolarHBondContact O-N 3.14Å; D672-K675 WeakPolarHBondContact OD1-CD 3.45Å; D672-K675 WeakPolarHBondContact OD1-CE 3.4Å; D672-K675 IonicContact OD1-NZ 3.73Å; D672-K675 PolarHBondContact OD1-NZ 2.94Å; D672-S676 VanDerWaalsContact O-CB 3.3Å; D672-S676 WeakPolarHBondContact O-CB 2.81Å; D672-S676 PolarHBondContact O-N 3.08Å
673S56.3Low53.2Low75 Ų75109.4 Ų109.452%0.52459%0.594SS.*Hα-helixtrans-59.1-43.2166.4-58.60000111.6S669 S670 S676 S677S669-S673 WeakPolarHBondContact O-CB 3.38Å; S669-S673 PolarHBondContact O-N 3.45Å; S669-S673 PolarHBondContact O-OG 3.4Å; S670-S673 PolarHBondContact O-N 3.33Å; S673-S676 PolarHBondContact O-N 2.63Å; S673-S677 PolarHBondContact O-N 2.9Å; S673-S677 PolarHBondContact O-OG 3.39Å
674I57Low52Low130 Ų130110.4 Ų110.467%0.66761%0.611SS**Hα-helixtrans-69-35.5177.4-68.1164.4000111.8S670 I671 D672S670-I674 WeakPolarHBondContact O-CD1 3.39Å; S670-I674 VanDerWaalsContact O-CG1 3.28Å; S670-I674 WeakPolarHBondContact O-CG1 3.48Å; S670-I674 PolarHBondContact O-N 3.14Å; S670-I674 VanDerWaalsContact O-N 3.08Å; I671-I674 PolarHBondContact O-N 2.87Å; D672-I674 VanDerWaalsContact C-N 3.32Å; D672-I674 PolarHBondContact O-N 3.36Å
675K55.5Low51.2Low137 Ų137111.7 Ų111.760%0.59663%0.632SS**Hα-helixtrans-68.6-36.4172.5-69.9173.3-162.5151.40112.6I671 D672 S677I671-K675 HydrophobicContact CG2-CD 4.39Å; I671-K675 VanDerWaalsContact CG2-CE 3.43Å; I671-K675 WeakPolarHBondContact O-CG 3.44Å; I671-K675 PolarHBondContact O-N 2.91Å; D672-K675 PolarHBondContact O-N 3.14Å; D672-K675 WeakPolarHBondContact OD1-CD 3.45Å; D672-K675 WeakPolarHBondContact OD1-CE 3.4Å; D672-K675 IonicContact OD1-NZ 3.73Å; D672-K675 PolarHBondContact OD1-NZ 2.94Å; K675-S677 VanDerWaalsContact C-N 3.31Å; K675-S677 PolarHBondContact O-N 3.39Å
676S50.1Low50Low102 Ų102116 Ų11671%0.71364%0.644SS**Hα-helixtrans-69.1-28.8-178.5-167.50000112.5D672 S673 K678D672-S676 VanDerWaalsContact O-CB 3.3Å; D672-S676 WeakPolarHBondContact O-CB 2.81Å; D672-S676 PolarHBondContact O-N 3.08Å; S673-S676 PolarHBondContact O-N 2.63Å; S676-K678 PolarHBondContact O-N 3.03Å
677S49.6Very low49.2Very low98 Ų98115.2 Ų115.269%0.68565%0.648SS**THydrogen-bonded Turntrans-71.819.9177.4-61.60000115.2S673 K675 C679S673-S677 PolarHBondContact O-N 2.9Å; S673-S677 PolarHBondContact O-OG 3.39Å; K675-S677 VanDerWaalsContact C-N 3.31Å; K675-S677 PolarHBondContact O-N 3.39Å; S677-C679 PolarHBondContact O-N 2.89Å
678K50.7Low48.1Very low186 Ų186117.8 Ų117.881%0.80966%0.662SS**  trans-77.189.9175-169172.2-177.2179.60110.3S676S676-K678 PolarHBondContact O-N 3.03Å
679C34.7Very low47.3Very low95 Ų95119.5 Ų119.564%0.64268%0.675SS**  trans-47.2134.8-176.856.20000114.1S677 I681S677-C679 PolarHBondContact O-N 2.89Å; C679-I681 PolarHBondContact O-N 3.31Å
680I38Very low46.7Very low164 Ų164125.6 Ų125.684%0.84170%0.696SS**  trans-65.4117.6166.5-60.7164.3000107.3
681I47.8Very low46.1Very low149 Ų149129.3 Ų129.376%0.76472%0.716SS**  trans-117.7108.7163.5-60.6-179.9000105.5C679C679-I681 PolarHBondContact O-N 3.31Å
682D35.7Very low45.5Very low128 Ų128133.6 Ų133.668%0.68474%0.74SS**  trans-81.4159.1179.3-151.8-26.6000110.7
683S38.1Very low45.3Very low93 Ų93136.8 Ų136.865%0.6576%0.757SS**SBendtrans13.6133.1159.7-60.30000120.9
684S35.2Very low44.9Very low119 Ų119141.6 Ų141.683%0.83278%0.776SS**  trans62.691.2153.657.40000119
685S44.9Very low44.1Very low127 Ų127140.9 Ų140.989%0.88878%0.781SS**  trans-149.1143.5134.456.40000110.7
686Y35.7Very low43.4Very low220 Ų220145.5 Ų145.586%0.86380%0.797SS**  trans-121.896.9177.2-176.8-85.6000107.2
687S44.6Very low43.3Very low99 Ų99147.6 Ų147.669%0.69280%0.798SS**  trans-141.7131.8169.3-151.50000109.5D689S687-D689 PolarHBondContact OG-OD2 2.74Å
688L39.8Very low43.1Very low150 Ų150150 Ų15079%0.78580%0.803SS**  trans-104120.6170-71.4164.1000106.6
689D45.4Very low42.7Very low144 Ų144149.3 Ų149.377%0.7780%0.803SS**  trans-145.1146.8169.9-84.7-63000110.4S687S687-D689 PolarHBondContact OG-OD2 2.74Å
690E43.5Very low43.1Very low193 Ų193149.9 Ų149.990%0.90281%0.808SS**  trans-95115.1-162.7-57.1-179.7113.400113.3
691T51.3Low43.9Very low143 Ų143149.5 Ų149.588%0.87781%0.808SS**  trans-151.342.5169380000114D693T691-D693 PolarHBondContact O-N 3.48Å
692D47.8Very low44.4Very low167 Ų167148.8 Ų148.889%0.89381%0.805SS**  trans-94.945.8-174.5-145.911.6000113.5
693D49Very low45.9Very low154 Ų154148.2 Ų148.282%0.82481%0.809SS**  trans-15164.5-174.5-140.6-6.7000113.8T691T691-D693 PolarHBondContact O-N 3.48Å
694L48.6Very low47.5Very low175 Ų175153.1 Ų153.192%0.91682%0.819SS**SBendtrans-170.156.5161.9-111.9177.2000116.1
695C39.8Very low49.5Very low115 Ų115159 Ų15978%0.77782%0.823SS**  trans-143.923.6175.665.90000117.5I697C695-I697 VanDerWaalsContact C-N 3.26Å; C695-I697 PolarHBondContact O-N 3.16Å; C695-I697 VanDerWaalsContact O-N 3.11Å
696Y41.7Very low51.4Low234 Ų234159.4 Ų159.492%0.91882%0.819SS**  trans-78.815.6-175.9-157.5-106.5000116.5
697I47.4Very low53.8Low147 Ų147160 Ų16075%0.75482%0.82SS**  trans-136.485.1167.3-52.8-178000110.5C695C695-I697 VanDerWaalsContact C-N 3.26Å; C695-I697 PolarHBondContact O-N 3.16Å; C695-I697 VanDerWaalsContact O-N 3.11Å
698N44.6Very low55.8Low147 Ų147160.2 Ų160.279%0.78682%0.818SS**  trans-151104147-99.6-41.1000108.1
699Q43Very low58.4Low173 Ų173157.6 Ų157.681%0.80882%0.817SS**  trans-84151.4-177-62.5-179.216.900110.4
700S43.6Very low60.9Low106 Ų106153.6 Ų153.674%0.74179%0.792SS**SBendtrans57.278.6-178.753.70000116.3
701N53.7Low63.4Low156 Ų156148 Ų14883%0.83477%0.771SS**  -178.615126.3-91.6-25.5000115.8
702D59.5Low65.6Low134 Ų134150.7 Ų150.772%0.71777%0.765SS**  trans-48.5123.5176.7-70.2-65.1000113.5K704D702-K704 PolarHBondContact O-N 3.09Å
703P67.5Low68Low117 Ų117148.1 Ų148.176%0.7675%0.747SS**  trans-67.5102.6175.826.7-32.8000109.4R705P703-R705 PolarHBondContact O-N 3Å
704K71.1Confident70.3Confident196 Ų196141.9 Ų141.985%0.85271%0.713SS**  trans-46.4100.3178.9-65.4165.8-174.7160.70110.3D702 T706D702-K704 PolarHBondContact O-N 3.09Å; K704-T706 PolarHBondContact O-N 3.47Å
705R77.3Confident72.7Confident243 Ų243136.6 Ų136.692%0.91769%0.686SS**  trans-41.9107.7-170.4-68.6-169.9-177.1-158.22.9111.5P703 R707P703-R705 PolarHBondContact O-N 3Å; R705-R707 PolarHBondContact O-N 2.8Å
706T83.6Confident75.5Confident134 Ų134134.7 Ų134.782%0.82267%0.667SS**  trans-57.4131.9-173.3-55.30000110.5K704 T708K704-T706 PolarHBondContact O-N 3.47Å; T706-T708 PolarHBondContact O-N 3.31Å; T706-T708 VanDerWaalsContact O-N 3.16Å
707R86.8Confident78.2Confident234 Ų234125.7 Ų125.788%0.88363%0.634SS**  trans-72.4109.1176.6-70.8-179174.7-84.5-1.5109.4R705 A709R705-R707 PolarHBondContact O-N 2.8Å; R707-A709 PolarHBondContact O-N 3.32Å
708T86.9Confident80.6Confident103 Ų103118.7 Ų118.763%0.63260%0.598SS**PPolyproline II helixtrans-59.9123.3166.453.70000109.7T706T706-T708 PolarHBondContact O-N 3.31Å; T706-T708 VanDerWaalsContact O-N 3.16Å
709A94Very high83.2Confident94 Ų94114.2 Ų114.278%0.77757%0.572SS**PPolyproline II helixtrans-77.6147.4167.900000110.1R707R707-A709 PolarHBondContact O-N 3.32Å
710Y97.2Very high85.8Confident61 Ų61111.5 Ų111.524%0.23956%0.557CS.*PPolyproline II helixtrans-83144.9168.7-59.8-67.5000109.5L742 Q746 W750Y710-L742 HydrophobicContact CD1-CD1 3.72Å; Y710-L742 HydrophobicContact CD1-CD2 3.88Å; Y710-L742 HydrophobicContact CD1-CG 4.48Å; Y710-L742 HydrophobicContact CE1-CD1 3.73Å; Y710-L742 HydrophobicContact CE1-CD2 3.8Å; Y710-L742 HydrophobicContact CE1-CG 4.42Å; Y710-Q746 HydrophobicContact CE1-CB 4.36Å; Y710-W750 AromaticContact CD2-CD1 3.95Å; Y710-W750 AromaticContact CE2-CD1 3.71Å
711T97.5Very high88.4Confident76 Ų76107.1 Ų107.147%0.46653%0.525SS..PPolyproline II helixtrans-67.8159.3175.674.80000110.9Q713 Q714 I715T711-Q713 PolarHBondContact O-N 3.05Å; T711-Q714 PolarHBondContact O-N 3.01Å; T711-Q714 WeakPolarHBondContact OG1-CG 3.41Å; T711-Q714 PolarHBondContact OG1-N 3.39Å; T711-Q714 VanDerWaalsContact OG1-N 3.14Å; T711-I715 WeakPolarHBondContact O-CG1 3.34Å; T711-I715 PolarHBondContact O-N 3.11Å
712R97.6Very high90.5Very high199 Ų19999.7 Ų99.775%0.75149%0.486SS*.Hα-helixtrans-55.8-38.8175.8-174.9175.5179.6-93.11.6111.8I715 L716R712-I715 PolarHBondContact O-N 2.9Å; R712-L716 HydrophobicContact CG-CD1 4.21Å; R712-L716 WeakPolarHBondContact O-CG 3.28Å; R712-L716 PolarHBondContact O-N 3.1Å
713Q97.6Very high92.3Very high112 Ų11299.3 Ų99.352%0.52348%0.479SS..Hα-helixtrans-67.6-44.1177.9-172.859.917.600112.3T711 I715 L716 E717T711-Q713 PolarHBondContact O-N 3.05Å; Q713-I715 VanDerWaalsContact C-N 3.29Å; Q713-I715 PolarHBondContact O-N 3.45Å; Q713-L716 PolarHBondContact O-N 3.44Å; Q713-E717 PolarHBondContact O-N 3.24Å; Q713-E717 VanDerWaalsContact O-N 3.09Å
714Q98.1Very high93.7Very high23 Ų23103 Ų10311%0.10748%0.48CS..Hα-helixtrans-58.3-42.5173.9-73.6171.5-22.300111.2T711 L718 L740 L742T711-Q714 PolarHBondContact O-N 3.01Å; T711-Q714 WeakPolarHBondContact OG1-CG 3.41Å; T711-Q714 PolarHBondContact OG1-N 3.39Å; T711-Q714 VanDerWaalsContact OG1-N 3.14Å; Q714-L718 VanDerWaalsContact O-CB 3.24Å; Q714-L718 WeakPolarHBondContact O-CB 3.38Å; Q714-L718 VanDerWaalsContact O-CD1 3.3Å; Q714-L718 WeakPolarHBondContact O-CD1 3.33Å; Q714-L718 WeakPolarHBondContact O-CG 3.27Å; Q714-L718 PolarHBondContact O-N 2.98Å; Q714-L740 HydrophobicContact CG-CB 4.3Å; Q714-L740 PolarHBondContact NE2-O 3.44Å; Q714-L742 HydrophobicContact CB-CD1 4.46Å; Q714-L742 HydrophobicContact CG-CD1 4.34Å
715I98Very high94.9Very high65 Ų6596.6 Ų96.633%0.33345%0.454SS..Hα-helixtrans-64.8-44178.4-65166.9000111.5T711 R712 Q713 L718 E719T711-I715 WeakPolarHBondContact O-CG1 3.34Å; T711-I715 PolarHBondContact O-N 3.11Å; R712-I715 PolarHBondContact O-N 2.9Å; Q713-I715 VanDerWaalsContact C-N 3.29Å; Q713-I715 PolarHBondContact O-N 3.45Å; I715-L718 PolarHBondContact O-N 3Å; I715-E719 HydrophobicContact CG2-CG 4.45Å; I715-E719 PolarHBondContact O-N 3.47Å
716L97.9Very high95.9Very high75 Ų7587.5 Ų87.539%0.39342%0.422SS..Hα-helixtrans-62.3-47.5-179.6-74170000112.2R712 Q713 E719 K720R712-L716 HydrophobicContact CG-CD1 4.21Å; R712-L716 WeakPolarHBondContact O-CG 3.28Å; R712-L716 PolarHBondContact O-N 3.1Å; Q713-L716 PolarHBondContact O-N 3.44Å; L716-E719 PolarHBondContact O-N 3.27Å; L716-K720 VanDerWaalsContact O-CB 3.28Å; L716-K720 WeakPolarHBondContact O-CB 3.38Å; L716-K720 PolarHBondContact O-N 2.84Å
717E98.1Very high96.5Very high45 Ų4588.4 Ų88.421%0.2141%0.411CS..Hα-helixtrans-68-37.5177.5-69.9-64.5133.300112Q713 K720 E721 L740Q713-E717 PolarHBondContact O-N 3.24Å; Q713-E717 VanDerWaalsContact O-N 3.09Å; E717-K720 PolarHBondContact O-N 3.49Å; E717-K720 IonicContact OE1-NZ 3.65Å; E717-K720 PolarHBondContact OE1-NZ 2.85Å; E717-K720 WeakPolarHBondContact OE2-CD 3.32Å; E717-K720 WeakPolarHBondContact OE2-CE 3.27Å; E717-K720 IonicContact OE2-NZ 3.79Å; E717-K720 PolarHBondContact OE2-NZ 3.25Å; E717-E721 WeakPolarHBondContact O-CB 3.4Å; E717-E721 WeakPolarHBondContact O-CG 3.3Å; E717-E721 PolarHBondContact O-N 3.36Å; E717-L740 HydrophobicContact CB-CD1 3.98Å; E717-L740 HydrophobicContact CB-CD2 3.64Å; E717-L740 HydrophobicContact CB-CG 4.42Å; E717-L740 HydrophobicContact CG-CD2 4Å
718L98.6Very high97Very high0 Ų078.4 Ų78.40%038%0.375CS..Hα-helixtrans-63.6-39.8173-74.8167.1000112.7Q714 I715 F722 I736 L740 L742 I747 W750 F751Q714-L718 VanDerWaalsContact O-CB 3.24Å; Q714-L718 WeakPolarHBondContact O-CB 3.38Å; Q714-L718 VanDerWaalsContact O-CD1 3.3Å; Q714-L718 WeakPolarHBondContact O-CD1 3.33Å; Q714-L718 WeakPolarHBondContact O-CG 3.27Å; Q714-L718 PolarHBondContact O-N 2.98Å; I715-L718 PolarHBondContact O-N 3Å; L718-F722 WeakPolarHBondContact O-CB 3.24Å; L718-F722 PolarHBondContact O-N 3.36Å; L718-I736 HydrophobicContact CD2-CG2 4.21Å; L718-L740 HydrophobicContact CD1-CD1 4.48Å; L718-L740 HydrophobicContact CD2-CD1 4.01Å; L718-L740 HydrophobicContact CG-CD1 3.71Å; L718-L742 HydrophobicContact CD1-CD1 4.1Å; L718-I747 HydrophobicContact CD2-CD1 3.8Å; L718-W750 HydrophobicContact CB-CD2 3.9Å; L718-W750 HydrophobicContact CB-CE3 3.96Å; L718-W750 HydrophobicContact CB-CH2 3.74Å; L718-W750 HydrophobicContact CB-CZ2 3.63Å; L718-W750 HydrophobicContact CB-CZ3 3.89Å; L718-W750 HydrophobicContact CD1-CD2 3.95Å; L718-W750 HydrophobicContact CD1-CG 3.86Å; L718-W750 HydrophobicContact CD2-CD2 4.21Å; L718-W750 HydrophobicContact CD2-CE3 4.08Å; L718-W750 HydrophobicContact CG-CD2 4.25Å; L718-W750 HydrophobicContact CG-CE3 4.44Å; L718-W750 WeakPolarHBondContact O-CH2 3.38Å; L718-W750 VanDerWaalsContact O-CZ3 3.28Å; L718-W750 WeakPolarHBondContact O-CZ3 3.42Å; L718-F751 HydrophobicContact CD2-CD2 4.5Å; L718-F751 HydrophobicContact CD2-CE2 3.99Å
719E98.4Very high97.6Very high52 Ų5277.5 Ų77.524%0.24337%0.369CS..Hα-helixtrans-70.9-42.5175.2-70.1-156.112900111.7I715 L716 E721 F722 H723 W750 R754 K757I715-E719 HydrophobicContact CG2-CG 4.45Å; I715-E719 PolarHBondContact O-N 3.47Å; L716-E719 PolarHBondContact O-N 3.27Å; E719-E721 PolarHBondContact O-N 3.16Å; E719-F722 CarbonylContact O-C 3.42Å; E719-F722 WeakPolarHBondContact O-CA 3.47Å; E719-F722 WeakPolarHBondContact O-CB 3.42Å; E719-F722 PolarHBondContact O-N 3.31Å; E719-F722 VanDerWaalsContact O-N 3.1Å; E719-H723 PolarHBondContact O-CD2 2.75Å; E719-H723 PolarHBondContact O-N 3.29Å; E719-W750 HydrophobicContact CB-CH2 4.48Å; E719-W750 HydrophobicContact CG-CH2 3.78Å; E719-W750 HydrophobicContact CG-CZ2 3.64Å; E719-R754 IonicContact OE1-CZ 2.78Å; E719-R754 IonicContact OE1-NE 3.82Å; E719-R754 PolarHBondContact OE1-NE 3.4Å; E719-R754 IonicContact OE1-NH2 3.94Å; E719-K757 IonicContact OE1-NZ 3.97Å
720K98Very high97.7Very high116 Ų11680.3 Ų80.350%0.50436%0.36SS..Hα-helixtrans-53.5-49.9171.7171.8-176.3166.2-159.10112.2L716 E717 F722 H723 Y724L716-K720 VanDerWaalsContact O-CB 3.28Å; L716-K720 WeakPolarHBondContact O-CB 3.38Å; L716-K720 PolarHBondContact O-N 2.84Å; E717-K720 PolarHBondContact O-N 3.49Å; E717-K720 IonicContact OE1-NZ 3.65Å; E717-K720 PolarHBondContact OE1-NZ 2.85Å; E717-K720 WeakPolarHBondContact OE2-CD 3.32Å; E717-K720 WeakPolarHBondContact OE2-CE 3.27Å; E717-K720 IonicContact OE2-NZ 3.79Å; E717-K720 PolarHBondContact OE2-NZ 3.25Å; K720-F722 VanDerWaalsContact C-N 3.33Å; K720-F722 PolarHBondContact O-N 2.94Å; K720-H723 PolarHBondContact O-N 2.83Å; K720-H723 VanDerWaalsContact O-N 3.17Å; K720-Y724 PolarHBondContact O-N 2.78Å
721E98Very high97.7Very high14 Ų1484.7 Ų84.77%0.06538%0.38CS..Hα-helixtrans-63.9-36.2175.4-72.7-64.8127.800112.6E717 E719 Y724 N725 R732 I736 F751E717-E721 WeakPolarHBondContact O-CB 3.4Å; E717-E721 WeakPolarHBondContact O-CG 3.3Å; E717-E721 PolarHBondContact O-N 3.36Å; E719-E721 PolarHBondContact O-N 3.16Å; E721-Y724 PolarHBondContact O-N 3.16Å; E721-N725 PolarHBondContact O-N 2.77Å; E721-N725 VanDerWaalsContact O-O 3.11Å; E721-R732 VanDerWaalsContact CD-NH2 3.26Å; E721-R732 IonicContact OE1-CZ 2.7Å; E721-R732 IonicContact OE1-NE 3.59Å; E721-R732 IonicContact OE1-NH2 3Å; E721-R732 PolarHBondContact OE1-NH2 3.13Å; E721-R732 IonicContact OE2-CZ 3.71Å; E721-R732 IonicContact OE2-NE 2.75Å; E721-R732 PolarHBondContact OE2-NE 2.94Å; E721-R732 IonicContact OE2-NH2 3.81Å; E721-R732 PolarHBondContact OE2-NH2 3.1Å; E721-I736 HydrophobicContact CB-CD1 3.98Å; E721-I736 HydrophobicContact CG-CD1 3.67Å; E721-I736 HydrophobicContact CG-CG1 4Å; E721-I736 WeakPolarHBondContact OE2-CD1 3.46Å; E721-F751 HydrophobicContact CB-CZ 3.94Å
722F98.3Very high97.8Very high1 Ų185.5 Ų85.50%0.00438%0.375CS..Hα-helixtrans-67.2-36.7172.9-175.2-98.1000112.8L718 E719 K720 N725 K726 W750 F751 R754 R755 W758L718-F722 WeakPolarHBondContact O-CB 3.24Å; L718-F722 PolarHBondContact O-N 3.36Å; E719-F722 CarbonylContact O-C 3.42Å; E719-F722 WeakPolarHBondContact O-CA 3.47Å; E719-F722 WeakPolarHBondContact O-CB 3.42Å; E719-F722 PolarHBondContact O-N 3.31Å; E719-F722 VanDerWaalsContact O-N 3.1Å; K720-F722 VanDerWaalsContact C-N 3.33Å; K720-F722 PolarHBondContact O-N 2.94Å; F722-N725 CarbonylContact O-C 3.54Å; F722-K726 HydrophobicContact CD1-CD 4.08Å; F722-K726 HydrophobicContact CD2-CD 4.4Å; F722-K726 HydrophobicContact CE1-CD 3.59Å; F722-K726 HydrophobicContact CE2-CB 4.29Å; F722-K726 HydrophobicContact CE2-CD 3.94Å; F722-K726 HydrophobicContact CG-CD 4.45Å; F722-K726 HydrophobicContact CZ-CD 3.51Å; F722-K726 WeakPolarHBondContact O-CD 3.4Å; F722-K726 WeakPolarHBondContact O-CE 3.46Å; F722-K726 PolarHBondContact O-NZ 2.78Å; F722-W750 HydrophobicContact CB-CH2 4.04Å; F722-W750 HydrophobicContact CB-CZ3 3.94Å; F722-W750 HydrophobicContact CD2-CZ3 4.44Å; F722-W750 HydrophobicContact CG-CZ3 4.41Å; F722-F751 HydrophobicContact CB-CE1 4.07Å; F722-F751 HydrophobicContact CB-CZ 4.23Å; F722-F751 AromaticContact CD2-CD1 3.91Å; F722-F751 HydrophobicContact CD2-CD1 3.91Å; F722-F751 AromaticContact CD2-CE1 3.88Å; F722-F751 HydrophobicContact CD2-CE1 3.88Å; F722-F751 HydrophobicContact CG-CE1 4.49Å; F722-R754 HydrophobicContact CB-CG 4.25Å; F722-R754 HydrophobicContact CD1-CG 3.5Å; F722-R754 HydrophobicContact CD2-CB 4Å; F722-R754 HydrophobicContact CD2-CG 3.62Å; F722-R754 HydrophobicContact CE1-CG 3.65Å; F722-R754 HydrophobicContact CE2-CB 4.05Å; F722-R754 HydrophobicContact CE2-CG 3.76Å; F722-R754 HydrophobicContact CG-CB 4.34Å; F722-R754 HydrophobicContact CG-CG 3.49Å; F722-R754 VanDerWaalsContact CG-CG 3.49Å; F722-R754 HydrophobicContact CZ-CB 4.42Å; F722-R754 HydrophobicContact CZ-CG 3.78Å; F722-R755 HydrophobicContact CE2-CG 3.69Å; F722-R755 HydrophobicContact CZ-CG 4.23Å; F722-W758 HydrophobicContact CE1-CB 4.01Å; F722-W758 HydrophobicContact CE1-CG 4.04Å; F722-W758 HydrophobicContact CZ-CB 3.79Å; F722-W758 AromaticContact CZ-CG 3.98Å; F722-W758 HydrophobicContact CZ-CG 3.98Å
723H96.9Very high97.8Very high125 Ų12578.5 Ų78.558%0.57935%0.348SS*.Hα-helixtrans-65.6-43.6175.2-83.4-77.2000110.7E719 K720 K726E719-H723 PolarHBondContact O-CD2 2.75Å; E719-H723 PolarHBondContact O-N 3.29Å; K720-H723 PolarHBondContact O-N 2.83Å; K720-H723 VanDerWaalsContact O-N 3.17Å; H723-K726 PolarHBondContact O-NZ 3.17Å
724Y97.2Very high97.8Very high196 Ų19676 Ų7677%0.76934%0.338SS*.Hα-helixtrans-61.4-55.4171.4-178.4-108.1000112.7K720 E721K720-Y724 PolarHBondContact O-N 2.78Å; E721-Y724 PolarHBondContact O-N 3.16Å
725N97Very high97.8Very high60 Ų6078 Ų7832%0.32135%0.347SS..  trans-140.5124.8-178.7-175-9.6000112.5E721 F722 Y727 F751E721-N725 PolarHBondContact O-N 2.77Å; E721-N725 VanDerWaalsContact O-O 3.11Å; F722-N725 CarbonylContact O-C 3.54Å; N725-Y727 PolarHBondContact ND2-O 3Å; N725-Y727 VanDerWaalsContact ND2-O 3.11Å; N725-Y727 PolarHBondContact O-N 3.1Å; N725-Y727 PolarHBondContact OD1-N 3.43Å; N725-Y727 PolarHBondContact OD1-O 2.85Å; N725-Y727 VanDerWaalsContact OD1-O 3.14Å; N725-F751 WeakPolarHBondContact O-CE1 3.31Å
726K97.1Very high97.8Very high53 Ų5375.3 Ų75.323%0.2333%0.333CS..SBendtrans-71.5-13.7-179.8-48.5-65.9162.1-67.70113.2F722 H723 R755F722-K726 HydrophobicContact CD1-CD 4.08Å; F722-K726 HydrophobicContact CD2-CD 4.4Å; F722-K726 HydrophobicContact CE1-CD 3.59Å; F722-K726 HydrophobicContact CE2-CB 4.29Å; F722-K726 HydrophobicContact CE2-CD 3.94Å; F722-K726 HydrophobicContact CG-CD 4.45Å; F722-K726 HydrophobicContact CZ-CD 3.51Å; F722-K726 WeakPolarHBondContact O-CD 3.4Å; F722-K726 WeakPolarHBondContact O-CE 3.46Å; F722-K726 PolarHBondContact O-NZ 2.78Å; H723-K726 PolarHBondContact O-NZ 3.17Å; K726-R755 WeakPolarHBondContact O-CD 3.34Å; K726-R755 PolarHBondContact O-NH1 3.27Å
727Y98Very high97.8Very high153 Ų15372.2 Ų72.260%0.632%0.319SS*.SBendtrans-140.8104-174.8-63.9-89.8000112.7N725 R755N725-Y727 PolarHBondContact ND2-O 3Å; N725-Y727 VanDerWaalsContact ND2-O 3.11Å; N725-Y727 PolarHBondContact O-N 3.1Å; N725-Y727 PolarHBondContact OD1-N 3.43Å; N725-Y727 PolarHBondContact OD1-O 2.85Å; N725-Y727 VanDerWaalsContact OD1-O 3.14Å; Y727-R755 VanDerWaalsContact CZ-CD 3.46Å
728L97.5Very high97.8Very high24 Ų2477 Ų7713%0.12634%0.341CS..  trans-70.9131.8179.5-61.5179.5000114.4R732 R733 I736 I747 F751L728-R732 HydrophobicContact CD2-CB 4.46Å; L728-R732 HydrophobicContact CD2-CG 3.95Å; L728-R733 HydrophobicContact CB-CB 4.36Å; L728-R733 HydrophobicContact CD1-CB 4.33Å; L728-R733 HydrophobicContact CD1-CG 4.24Å; L728-I736 HydrophobicContact CD1-CD1 3.68Å; L728-I736 HydrophobicContact CD2-CD1 3.6Å; L728-I736 HydrophobicContact CG-CD1 4.29Å; L728-I747 HydrophobicContact CD1-CG2 3.41Å; L728-I747 VanDerWaalsContact CD1-CG2 3.41Å; L728-F751 HydrophobicContact CD1-CD1 4.29Å; L728-F751 HydrophobicContact CD1-CD2 3.6Å; L728-F751 HydrophobicContact CD1-CE1 4.13Å; L728-F751 HydrophobicContact CD1-CE2 3.46Å; L728-F751 VanDerWaalsContact CD1-CE2 3.46Å; L728-F751 HydrophobicContact CD1-CG 4.05Å; L728-F751 HydrophobicContact CD1-CZ 3.74Å; L728-F751 HydrophobicContact CD2-CE1 3.91Å; L728-F751 HydrophobicContact CD2-CE2 4.37Å; L728-F751 HydrophobicContact CD2-CZ 3.78Å; L728-F751 HydrophobicContact CG-CD1 3.91Å; L728-F751 HydrophobicContact CG-CD2 4.15Å; L728-F751 HydrophobicContact CG-CE1 3.67Å; L728-F751 HydrophobicContact CG-CE2 3.96Å; L728-F751 HydrophobicContact CG-CG 4.15Å; L728-F751 HydrophobicContact CG-CZ 3.71Å
729T97.6Very high97.8Very high83 Ų8382.2 Ų82.251%0.50937%0.373SS..  trans-65.3169.916465.50000111.4R732 R733T729-R732 PolarHBondContact OG1-N 3.47Å; T729-R733 WeakPolarHBondContact O-CB 3.32Å; T729-R733 PolarHBondContact O-N 2.91Å; T729-R733 VanDerWaalsContact O-N 3.14Å
730R97.5Very high97.7Very high154 Ų15480.4 Ų80.458%0.58137%0.365SS*.Hα-helixtrans-64.1-49.1176.1179.9161.6173.464.5-8.6111.7R733 L734 E744R730-R733 PolarHBondContact O-N 3.43Å; R730-L734 HydrophobicContact CG-CD1 4.22Å; R730-L734 PolarHBondContact O-N 3.36Å; R730-L734 VanDerWaalsContact O-N 3.14Å; R730-E744 IonicContact CZ-OE1 2.95Å; R730-E744 VanDerWaalsContact NH1-CD 3.29Å; R730-E744 IonicContact NH1-OE1 3.7Å; R730-E744 PolarHBondContact NH1-OE1 2.87Å; R730-E744 IonicContact NH1-OE2 3.16Å; R730-E744 PolarHBondContact NH1-OE2 3.06Å
731K97.8Very high97.7Very high152 Ų15280.9 Ų80.966%0.66138%0.378SS*.Hα-helixtrans-56-53.8178.3179171.6175.8175.80111.8R733 L734 E735K731-R733 VanDerWaalsContact C-N 3.27Å; K731-R733 PolarHBondContact O-N 2.89Å; K731-L734 WeakPolarHBondContact O-CB 3.37Å; K731-L734 PolarHBondContact O-N 3.39Å; K731-L734 VanDerWaalsContact O-N 3.08Å; K731-E735 WeakPolarHBondContact CE-OE1 3.21Å; K731-E735 VanDerWaalsContact CG-OE1 3.24Å; K731-E735 WeakPolarHBondContact CG-OE1 3.28Å; K731-E735 PolarHBondContact O-N 3.44Å; K731-E735 VanDerWaalsContact O-N 3.09Å
732R97.9Very high97.7Very high94 Ų9480.9 Ų80.936%0.35538%0.378SS..Hα-helixtrans-64.6-29.9-179.1-169.354.8176176.60.8113.1E721 L728 T729 E735 I736E721-R732 VanDerWaalsContact CD-NH2 3.26Å; E721-R732 IonicContact OE1-CZ 2.7Å; E721-R732 IonicContact OE1-NE 3.59Å; E721-R732 IonicContact OE1-NH2 3Å; E721-R732 PolarHBondContact OE1-NH2 3.13Å; E721-R732 IonicContact OE2-CZ 3.71Å; E721-R732 IonicContact OE2-NE 2.75Å; E721-R732 PolarHBondContact OE2-NE 2.94Å; E721-R732 IonicContact OE2-NH2 3.81Å; E721-R732 PolarHBondContact OE2-NH2 3.1Å; L728-R732 HydrophobicContact CD2-CB 4.46Å; L728-R732 HydrophobicContact CD2-CG 3.95Å; T729-R732 PolarHBondContact OG1-N 3.47Å; R732-E735 WeakPolarHBondContact CD-OE2 3.1Å; R732-E735 IonicContact CZ-OE2 3.52Å; R732-E735 IonicContact NE-OE2 2.72Å; R732-E735 IonicContact NH1-OE2 2.68Å; R732-E735 PolarHBondContact NH1-OE2 3.14Å; R732-I736 HydrophobicContact CG-CD1 3.89Å; R732-I736 HydrophobicContact CG-CG1 4.38Å; R732-I736 WeakPolarHBondContact O-CD1 3.4Å; R732-I736 VanDerWaalsContact O-CG1 3.23Å; R732-I736 WeakPolarHBondContact O-CG1 3.3Å; R732-I736 PolarHBondContact O-N 3.18Å; R732-I736 VanDerWaalsContact O-N 3.1Å
733R98.2Very high97.6Very high51 Ų5183.5 Ų83.519%0.19240%0.396CS..Hα-helixtrans-67.1-37.3174.3-162-169.9-45.21276.7112.7L728 T729 R730 K731 A737 E744 I747L728-R733 HydrophobicContact CB-CB 4.36Å; L728-R733 HydrophobicContact CD1-CB 4.33Å; L728-R733 HydrophobicContact CD1-CG 4.24Å; T729-R733 WeakPolarHBondContact O-CB 3.32Å; T729-R733 PolarHBondContact O-N 2.91Å; T729-R733 VanDerWaalsContact O-N 3.14Å; R730-R733 PolarHBondContact O-N 3.43Å; K731-R733 VanDerWaalsContact C-N 3.27Å; K731-R733 PolarHBondContact O-N 2.89Å; R733-A737 WeakPolarHBondContact O-CB 3.44Å; R733-A737 PolarHBondContact O-N 3.25Å; R733-E744 WeakPolarHBondContact CD-OE2 3.37Å; R733-E744 HydrophobicContact CG-CG 4.29Å; R733-E744 IonicContact CZ-OE2 2.63Å; R733-E744 IonicContact NE-OE2 2.9Å; R733-E744 IonicContact NH1-OE2 3.59Å; R733-E744 PolarHBondContact NH1-OE2 2.88Å; R733-I747 HydrophobicContact CG-CB 4.02Å; R733-I747 HydrophobicContact CG-CG2 3.72Å
734L98.1Very high97.7Very high59 Ų5980.1 Ų80.131%0.30938%0.381SS..Hα-helixtrans-66.8-49174.8-70.3163.6000110.4R730 K731 I736 A737 H738 E744R730-L734 HydrophobicContact CG-CD1 4.22Å; R730-L734 PolarHBondContact O-N 3.36Å; R730-L734 VanDerWaalsContact O-N 3.14Å; K731-L734 WeakPolarHBondContact O-CB 3.37Å; K731-L734 PolarHBondContact O-N 3.39Å; K731-L734 VanDerWaalsContact O-N 3.08Å; L734-I736 PolarHBondContact O-N 2.98Å; L734-A737 WeakPolarHBondContact O-CB 3.36Å; L734-A737 PolarHBondContact O-N 2.97Å; L734-A737 VanDerWaalsContact O-N 3.09Å; L734-H738 PolarHBondContact O-CD2 3.28Å; L734-H738 PolarHBondContact O-N 2.94Å; L734-E744 HydrophobicContact CD2-CG 3.84Å; L734-E744 HydrophobicContact CG-CG 4.47Å
735E98.2Very high97.7Very high66 Ų6679.4 Ų79.431%0.30838%0.377SS..Hα-helixtrans-51.9-54.7176.7-67.8165.7-170.900111.9K731 R732 A737 H738 T739K731-E735 WeakPolarHBondContact CE-OE1 3.21Å; K731-E735 VanDerWaalsContact CG-OE1 3.24Å; K731-E735 WeakPolarHBondContact CG-OE1 3.28Å; K731-E735 PolarHBondContact O-N 3.44Å; K731-E735 VanDerWaalsContact O-N 3.09Å; R732-E735 WeakPolarHBondContact CD-OE2 3.1Å; R732-E735 IonicContact CZ-OE2 3.52Å; R732-E735 IonicContact NE-OE2 2.72Å; R732-E735 IonicContact NH1-OE2 2.68Å; R732-E735 PolarHBondContact NH1-OE2 3.14Å; E735-A737 VanDerWaalsContact C-N 3.3Å; E735-A737 PolarHBondContact O-N 2.83Å; E735-H738 PolarHBondContact O-N 2.99Å; E735-T739 PolarHBondContact O-N 3.39Å; E735-T739 PolarHBondContact O-OG1 2.98Å; E735-T739 VanDerWaalsContact O-OG1 3.07Å
736I97.9Very high97.7Very high8 Ų879.2 Ų79.24%0.04137%0.374CS..Hα-helixtrans-63.4-36.1179-59162.2000111.6L718 E721 L728 R732 L734 L740 I747L718-I736 HydrophobicContact CD2-CG2 4.21Å; E721-I736 HydrophobicContact CB-CD1 3.98Å; E721-I736 HydrophobicContact CG-CD1 3.67Å; E721-I736 HydrophobicContact CG-CG1 4Å; E721-I736 WeakPolarHBondContact OE2-CD1 3.46Å; L728-I736 HydrophobicContact CD1-CD1 3.68Å; L728-I736 HydrophobicContact CD2-CD1 3.6Å; L728-I736 HydrophobicContact CG-CD1 4.29Å; R732-I736 HydrophobicContact CG-CD1 3.89Å; R732-I736 HydrophobicContact CG-CG1 4.38Å; R732-I736 WeakPolarHBondContact O-CD1 3.4Å; R732-I736 VanDerWaalsContact O-CG1 3.23Å; R732-I736 WeakPolarHBondContact O-CG1 3.3Å; R732-I736 PolarHBondContact O-N 3.18Å; R732-I736 VanDerWaalsContact O-N 3.1Å; L734-I736 PolarHBondContact O-N 2.98Å; I736-L740 HydrophobicContact CG2-CD1 3.54Å; I736-L740 HydrophobicContact CG2-CG 3.98Å; I736-L740 VanDerWaalsContact O-CB 3.31Å; I736-L740 WeakPolarHBondContact O-CB 3.48Å; I736-L740 WeakPolarHBondContact O-CG 3.24Å; I736-L740 PolarHBondContact O-N 3.43Å; I736-I747 HydrophobicContact CG2-CD1 3.81Å
737A98.2Very high97.8Very high11 Ų1176.7 Ų76.79%0.09136%0.363CS..Hα-helixtrans-60.8-45.2177.400000111.8R733 L734 E735 T741 L742 I747R733-A737 WeakPolarHBondContact O-CB 3.44Å; R733-A737 PolarHBondContact O-N 3.25Å; L734-A737 WeakPolarHBondContact O-CB 3.36Å; L734-A737 PolarHBondContact O-N 2.97Å; L734-A737 VanDerWaalsContact O-N 3.09Å; E735-A737 VanDerWaalsContact C-N 3.3Å; E735-A737 PolarHBondContact O-N 2.83Å; A737-T741 PolarHBondContact O-N 3.09Å; A737-L742 CarbonylContact C-O 3.6Å; A737-L742 WeakPolarHBondContact CA-O 3.33Å; A737-L742 WeakPolarHBondContact CB-O 3.42Å; A737-L742 PolarHBondContact O-N 2.91Å; A737-L742 VanDerWaalsContact O-O 3.08Å; A737-I747 HydrophobicContact CB-CG1 4.12Å
738H97.7Very high97.8Very high145 Ų14575.5 Ų75.567%0.67136%0.361SS*.Hα-helixtrans-66.7-52.9174.7-70.5-74.1000111.7L734 E735 L740 T741L734-H738 PolarHBondContact O-CD2 3.28Å; L734-H738 PolarHBondContact O-N 2.94Å; E735-H738 PolarHBondContact O-N 2.99Å; H738-L740 VanDerWaalsContact C-N 3.26Å; H738-L740 PolarHBondContact O-N 3.29Å; H738-T741 PolarHBondContact O-N 2.91Å
739T97.5Very high97.8Very high110 Ų11077.2 Ų77.268%0.67537%0.37SS*.Hα-helixtrans-59.6-33.3-176.9-54.70000113.3E735E735-T739 PolarHBondContact O-N 3.39Å; E735-T739 PolarHBondContact O-OG1 2.98Å; E735-T739 VanDerWaalsContact O-OG1 3.07Å
740L97.4Very high97.8Very high14 Ų1474.6 Ų74.67%0.07335%0.351CS..THydrogen-bonded Turntrans-101.23.1-176.7-57.9-170.8000114.4Q714 E717 L718 I736 H738 L742Q714-L740 HydrophobicContact CG-CB 4.3Å; Q714-L740 PolarHBondContact NE2-O 3.44Å; E717-L740 HydrophobicContact CB-CD1 3.98Å; E717-L740 HydrophobicContact CB-CD2 3.64Å; E717-L740 HydrophobicContact CB-CG 4.42Å; E717-L740 HydrophobicContact CG-CD2 4Å; L718-L740 HydrophobicContact CD1-CD1 4.48Å; L718-L740 HydrophobicContact CD2-CD1 4.01Å; L718-L740 HydrophobicContact CG-CD1 3.71Å; I736-L740 HydrophobicContact CG2-CD1 3.54Å; I736-L740 HydrophobicContact CG2-CG 3.98Å; I736-L740 VanDerWaalsContact O-CB 3.31Å; I736-L740 WeakPolarHBondContact O-CB 3.48Å; I736-L740 WeakPolarHBondContact O-CG 3.24Å; I736-L740 PolarHBondContact O-N 3.43Å; H738-L740 VanDerWaalsContact C-N 3.26Å; H738-L740 PolarHBondContact O-N 3.29Å; L740-L742 VanDerWaalsContact C-N 3.29Å; L740-L742 HydrophobicContact CB-CD1 4.29Å; L740-L742 HydrophobicContact CB-CG 4.34Å; L740-L742 PolarHBondContact O-N 3Å
741T97.7Very high97.8Very high125 Ų12567.5 Ų67.577%0.76732%0.324SS*.THydrogen-bonded Turntrans50.144.9-173.859.30000113.6A737 H738A737-T741 PolarHBondContact O-N 3.09Å; H738-T741 PolarHBondContact O-N 2.91Å
742L97.2Very high97.8Very high14 Ų1465.5 Ų65.57%0.07332%0.317CS..  trans-126.2140.5179.5-67.8178.5000110.8Y710 Q714 L718 A737 L740 Q746 I747Y710-L742 HydrophobicContact CD1-CD1 3.72Å; Y710-L742 HydrophobicContact CD1-CD2 3.88Å; Y710-L742 HydrophobicContact CD1-CG 4.48Å; Y710-L742 HydrophobicContact CE1-CD1 3.73Å; Y710-L742 HydrophobicContact CE1-CD2 3.8Å; Y710-L742 HydrophobicContact CE1-CG 4.42Å; Q714-L742 HydrophobicContact CB-CD1 4.46Å; Q714-L742 HydrophobicContact CG-CD1 4.34Å; L718-L742 HydrophobicContact CD1-CD1 4.1Å; A737-L742 CarbonylContact C-O 3.6Å; A737-L742 WeakPolarHBondContact CA-O 3.33Å; A737-L742 WeakPolarHBondContact CB-O 3.42Å; A737-L742 PolarHBondContact O-N 2.91Å; A737-L742 VanDerWaalsContact O-O 3.08Å; L740-L742 VanDerWaalsContact C-N 3.29Å; L740-L742 HydrophobicContact CB-CD1 4.29Å; L740-L742 HydrophobicContact CB-CG 4.34Å; L740-L742 PolarHBondContact O-N 3Å; L742-Q746 HydrophobicContact CB-CB 4.3Å; L742-I747 HydrophobicContact CB-CD1 3.81Å; L742-I747 HydrophobicContact CB-CG1 4.36Å; L742-I747 HydrophobicContact CD1-CD1 3.97Å
743S97.8Very high97.8Very high56 Ų5665.8 Ų65.839%0.39233%0.325SS..  trans-61.9149.917663.60000112.9R745 Q746 I747S743-R745 PolarHBondContact O-N 3.43Å; S743-Q746 WeakPolarHBondContact O-CB 3.46Å; S743-Q746 PolarHBondContact O-N 2.89Å; S743-Q746 WeakPolarHBondContact OG-CG 3.28Å; S743-Q746 PolarHBondContact OG-N 3.18Å; S743-Q746 PolarHBondContact OG-OE1 2.96Å; S743-I747 PolarHBondContact O-N 2.68Å
744E98.1Very high97.8Very high54 Ų5464.6 Ų64.625%0.25232%0.321SS..Hα-helixtrans-46.1-35.5169.8-88.9-156.4-94.400112.1R730 R733 L734 K748R730-E744 IonicContact CZ-OE1 2.95Å; R730-E744 VanDerWaalsContact NH1-CD 3.29Å; R730-E744 IonicContact NH1-OE1 3.7Å; R730-E744 PolarHBondContact NH1-OE1 2.87Å; R730-E744 IonicContact NH1-OE2 3.16Å; R730-E744 PolarHBondContact NH1-OE2 3.06Å; R733-E744 WeakPolarHBondContact CD-OE2 3.37Å; R733-E744 HydrophobicContact CG-CG 4.29Å; R733-E744 IonicContact CZ-OE2 2.63Å; R733-E744 IonicContact NE-OE2 2.9Å; R733-E744 IonicContact NH1-OE2 3.59Å; R733-E744 PolarHBondContact NH1-OE2 2.88Å; L734-E744 HydrophobicContact CD2-CG 3.84Å; L734-E744 HydrophobicContact CG-CG 4.47Å; E744-K748 WeakPolarHBondContact O-CB 3.19Å; E744-K748 PolarHBondContact O-N 3.14Å
745R97.4Very high97.8Very high182 Ų18264.7 Ų64.769%0.68732%0.317SS*.Hα-helixtrans-67.4-43.4178.6-171.1177.6-176.4-82.52.8112.4S743 I749S743-R745 PolarHBondContact O-N 3.43Å; R745-I749 HydrophobicContact CG-CD1 4.01Å; R745-I749 WeakPolarHBondContact O-CB 3.46Å; R745-I749 WeakPolarHBondContact O-CD1 3.49Å; R745-I749 VanDerWaalsContact O-CG1 3.24Å; R745-I749 WeakPolarHBondContact O-CG1 3.48Å; R745-I749 PolarHBondContact O-N 2.85Å
746Q97.4Very high97.8Very high55 Ų5566.1 Ų66.126%0.25733%0.325SS..Hα-helixtrans-63.5-47.2173.5-78.2156.9-63.600110.9Y710 L742 S743 K748 I749 W750Y710-Q746 HydrophobicContact CE1-CB 4.36Å; L742-Q746 HydrophobicContact CB-CB 4.3Å; S743-Q746 WeakPolarHBondContact O-CB 3.46Å; S743-Q746 PolarHBondContact O-N 2.89Å; S743-Q746 WeakPolarHBondContact OG-CG 3.28Å; S743-Q746 PolarHBondContact OG-N 3.18Å; S743-Q746 PolarHBondContact OG-OE1 2.96Å; Q746-K748 PolarHBondContact O-N 3.11Å; Q746-I749 PolarHBondContact O-N 3.26Å; Q746-W750 WeakPolarHBondContact O-CB 3.44Å; Q746-W750 PolarHBondContact O-N 2.78Å
747I98.2Very high97.7Very high0 Ų070.5 Ų70.50%034%0.344CS..Hα-helixtrans-56.6-49.4175.9-55-59.3000110.8L718 L728 R733 I736 A737 L742 S743 I749 W750 F751L718-I747 HydrophobicContact CD2-CD1 3.8Å; L728-I747 HydrophobicContact CD1-CG2 3.41Å; L728-I747 VanDerWaalsContact CD1-CG2 3.41Å; R733-I747 HydrophobicContact CG-CB 4.02Å; R733-I747 HydrophobicContact CG-CG2 3.72Å; I736-I747 HydrophobicContact CG2-CD1 3.81Å; A737-I747 HydrophobicContact CB-CG1 4.12Å; L742-I747 HydrophobicContact CB-CD1 3.81Å; L742-I747 HydrophobicContact CB-CG1 4.36Å; L742-I747 HydrophobicContact CD1-CD1 3.97Å; S743-I747 PolarHBondContact O-N 2.68Å; I747-I749 PolarHBondContact O-N 2.83Å; I747-W750 PolarHBondContact O-N 3.35Å; I747-F751 HydrophobicContact CG2-CD2 4.02Å; I747-F751 HydrophobicContact CG2-CE2 4.28Å; I747-F751 WeakPolarHBondContact O-CD2 3.48Å; I747-F751 PolarHBondContact O-N 2.72Å
748K97.8Very high97.6Very high128 Ų12874.2 Ų74.256%0.55736%0.355SS*.Hα-helixtrans-58.7-44.5178.8-176.4177.5-179.81790112.5E744 Q746 Q752E744-K748 WeakPolarHBondContact O-CB 3.19Å; E744-K748 PolarHBondContact O-N 3.14Å; Q746-K748 PolarHBondContact O-N 3.11Å; K748-Q752 WeakPolarHBondContact O-CB 3.5Å; K748-Q752 PolarHBondContact O-N 2.68Å; K748-Q752 VanDerWaalsContact O-N 3.1Å
749I97.5Very high97.4Very high61 Ų6172.1 Ų72.131%0.31334%0.344SS..Hα-helixtrans-68.5-42.5177.9-71167.9000111R745 Q746 I747 Q752 N753R745-I749 HydrophobicContact CG-CD1 4.01Å; R745-I749 WeakPolarHBondContact O-CB 3.46Å; R745-I749 WeakPolarHBondContact O-CD1 3.49Å; R745-I749 VanDerWaalsContact O-CG1 3.24Å; R745-I749 WeakPolarHBondContact O-CG1 3.48Å; R745-I749 PolarHBondContact O-N 2.85Å; Q746-I749 PolarHBondContact O-N 3.26Å; I747-I749 PolarHBondContact O-N 2.83Å; I749-Q752 PolarHBondContact O-N 3.19Å; I749-N753 VanDerWaalsContact O-CG 3.31Å; I749-N753 PolarHBondContact O-N 2.89Å; I749-N753 PolarHBondContact O-ND2 3.01Å
750W98.2Very high97.2Very high28 Ų2874 Ų7411%0.10634%0.343CS..Hα-helixtrans-61.6-47.2177.9-173.5104.4000110.9Y710 L718 E719 F722 Q746 I747 Q752 N753 R754Y710-W750 AromaticContact CD2-CD1 3.95Å; Y710-W750 AromaticContact CE2-CD1 3.71Å; L718-W750 HydrophobicContact CB-CD2 3.9Å; L718-W750 HydrophobicContact CB-CE3 3.96Å; L718-W750 HydrophobicContact CB-CH2 3.74Å; L718-W750 HydrophobicContact CB-CZ2 3.63Å; L718-W750 HydrophobicContact CB-CZ3 3.89Å; L718-W750 HydrophobicContact CD1-CD2 3.95Å; L718-W750 HydrophobicContact CD1-CG 3.86Å; L718-W750 HydrophobicContact CD2-CD2 4.21Å; L718-W750 HydrophobicContact CD2-CE3 4.08Å; L718-W750 HydrophobicContact CG-CD2 4.25Å; L718-W750 HydrophobicContact CG-CE3 4.44Å; L718-W750 WeakPolarHBondContact O-CH2 3.38Å; L718-W750 VanDerWaalsContact O-CZ3 3.28Å; L718-W750 WeakPolarHBondContact O-CZ3 3.42Å; E719-W750 HydrophobicContact CB-CH2 4.48Å; E719-W750 HydrophobicContact CG-CH2 3.78Å; E719-W750 HydrophobicContact CG-CZ2 3.64Å; F722-W750 HydrophobicContact CB-CH2 4.04Å; F722-W750 HydrophobicContact CB-CZ3 3.94Å; F722-W750 HydrophobicContact CD2-CZ3 4.44Å; F722-W750 HydrophobicContact CG-CZ3 4.41Å; Q746-W750 WeakPolarHBondContact O-CB 3.44Å; Q746-W750 PolarHBondContact O-N 2.78Å; I747-W750 PolarHBondContact O-N 3.35Å; W750-Q752 VanDerWaalsContact C-N 3.32Å; W750-Q752 PolarHBondContact O-N 2.88Å; W750-N753 CarbonylContact O-C 3.47Å; W750-N753 PolarHBondContact O-N 3.35Å; W750-N753 VanDerWaalsContact O-N 3.13Å; W750-R754 HydrophobicContact CD2-CB 4.49Å; W750-R754 HydrophobicContact CE3-CB 4.02Å; W750-R754 HydrophobicContact CH2-CB 3.69Å; W750-R754 HydrophobicContact CH2-CG 3.55Å; W750-R754 HydrophobicContact CZ2-CB 4.21Å; W750-R754 HydrophobicContact CZ2-CG 4.22Å; W750-R754 HydrophobicContact CZ3-CB 3.6Å; W750-R754 HydrophobicContact CZ3-CG 3.86Å; W750-R754 PolarHBondContact O-N 2.95Å
751F98.5Very high96.9Very high4 Ų476.8 Ų76.82%0.01836%0.356CS..Hα-helixtrans-63.1-36.1177.3-94-98.8000112.8L718 E721 F722 N725 L728 I747 R755L718-F751 HydrophobicContact CD2-CD2 4.5Å; L718-F751 HydrophobicContact CD2-CE2 3.99Å; E721-F751 HydrophobicContact CB-CZ 3.94Å; F722-F751 HydrophobicContact CB-CE1 4.07Å; F722-F751 HydrophobicContact CB-CZ 4.23Å; F722-F751 AromaticContact CD2-CD1 3.91Å; F722-F751 HydrophobicContact CD2-CD1 3.91Å; F722-F751 AromaticContact CD2-CE1 3.88Å; F722-F751 HydrophobicContact CD2-CE1 3.88Å; F722-F751 HydrophobicContact CG-CE1 4.49Å; N725-F751 WeakPolarHBondContact O-CE1 3.31Å; L728-F751 HydrophobicContact CD1-CD1 4.29Å; L728-F751 HydrophobicContact CD1-CD2 3.6Å; L728-F751 HydrophobicContact CD1-CE1 4.13Å; L728-F751 HydrophobicContact CD1-CE2 3.46Å; L728-F751 VanDerWaalsContact CD1-CE2 3.46Å; L728-F751 HydrophobicContact CD1-CG 4.05Å; L728-F751 HydrophobicContact CD1-CZ 3.74Å; L728-F751 HydrophobicContact CD2-CE1 3.91Å; L728-F751 HydrophobicContact CD2-CE2 4.37Å; L728-F751 HydrophobicContact CD2-CZ 3.78Å; L728-F751 HydrophobicContact CG-CD1 3.91Å; L728-F751 HydrophobicContact CG-CD2 4.15Å; L728-F751 HydrophobicContact CG-CE1 3.67Å; L728-F751 HydrophobicContact CG-CE2 3.96Å; L728-F751 HydrophobicContact CG-CG 4.15Å; L728-F751 HydrophobicContact CG-CZ 3.71Å; I747-F751 HydrophobicContact CG2-CD2 4.02Å; I747-F751 HydrophobicContact CG2-CE2 4.28Å; I747-F751 WeakPolarHBondContact O-CD2 3.48Å; I747-F751 PolarHBondContact O-N 2.72Å; F751-R755 WeakPolarHBondContact O-CG 3.36Å; F751-R755 PolarHBondContact O-N 2.99Å
752Q97.8Very high96.4Very high111 Ų11176.6 Ų76.652%0.51935%0.346SS..Hα-helixtrans-63.7-45172.7-175.1174.25.900111.5K748 I749 W750 M756K748-Q752 WeakPolarHBondContact O-CB 3.5Å; K748-Q752 PolarHBondContact O-N 2.68Å; K748-Q752 VanDerWaalsContact O-N 3.1Å; I749-Q752 PolarHBondContact O-N 3.19Å; W750-Q752 VanDerWaalsContact C-N 3.32Å; W750-Q752 PolarHBondContact O-N 2.88Å; Q752-M756 WeakPolarHBondContact O-CG 3.17Å; Q752-M756 PolarHBondContact O-N 3.3Å; Q752-M756 VanDerWaalsContact O-N 3.09Å
753N97.9Very high95.4Very high100 Ų10081.6 Ų81.654%0.53537%0.369SS..Hα-helixtrans-65.6-42176.7-70.1-26.8000112.1I749 W750 M756 K757I749-N753 VanDerWaalsContact O-CG 3.31Å; I749-N753 PolarHBondContact O-N 2.89Å; I749-N753 PolarHBondContact O-ND2 3.01Å; W750-N753 CarbonylContact O-C 3.47Å; W750-N753 PolarHBondContact O-N 3.35Å; W750-N753 VanDerWaalsContact O-N 3.13Å; N753-M756 PolarHBondContact O-N 2.72Å; N753-M756 VanDerWaalsContact O-N 3.16Å; N753-K757 PolarHBondContact O-N 3.27Å
754R98.2Very high93.8Very high25 Ų2581.6 Ų81.69%0.09436%0.364CS..Hα-helixtrans-66.5-38.9178.3-171.266.2-177.796.7-7.4112E719 F722 W750 M756 K757 W758 E761E719-R754 IonicContact OE1-CZ 2.78Å; E719-R754 IonicContact OE1-NE 3.82Å; E719-R754 PolarHBondContact OE1-NE 3.4Å; E719-R754 IonicContact OE1-NH2 3.94Å; F722-R754 HydrophobicContact CB-CG 4.25Å; F722-R754 HydrophobicContact CD1-CG 3.5Å; F722-R754 HydrophobicContact CD2-CB 4Å; F722-R754 HydrophobicContact CD2-CG 3.62Å; F722-R754 HydrophobicContact CE1-CG 3.65Å; F722-R754 HydrophobicContact CE2-CB 4.05Å; F722-R754 HydrophobicContact CE2-CG 3.76Å; F722-R754 HydrophobicContact CG-CB 4.34Å; F722-R754 HydrophobicContact CG-CG 3.49Å; F722-R754 VanDerWaalsContact CG-CG 3.49Å; F722-R754 HydrophobicContact CZ-CB 4.42Å; F722-R754 HydrophobicContact CZ-CG 3.78Å; W750-R754 HydrophobicContact CD2-CB 4.49Å; W750-R754 HydrophobicContact CE3-CB 4.02Å; W750-R754 HydrophobicContact CH2-CB 3.69Å; W750-R754 HydrophobicContact CH2-CG 3.55Å; W750-R754 HydrophobicContact CZ2-CB 4.21Å; W750-R754 HydrophobicContact CZ2-CG 4.22Å; W750-R754 HydrophobicContact CZ3-CB 3.6Å; W750-R754 HydrophobicContact CZ3-CG 3.86Å; W750-R754 PolarHBondContact O-N 2.95Å; R754-M756 VanDerWaalsContact C-N 3.33Å; R754-M756 PolarHBondContact O-N 3.18Å; R754-K757 PolarHBondContact O-N 3.14Å; R754-W758 VanDerWaalsContact O-CB 3.27Å; R754-W758 WeakPolarHBondContact O-CB 3.35Å; R754-W758 PolarHBondContact O-N 3.25Å; R754-E761 IonicContact CZ-OE2 2.72Å; R754-E761 IonicContact NH1-OE2 3.89Å; R754-E761 PolarHBondContact NH1-OE2 3.02Å; R754-E761 IonicContact NH2-OE2 3.18Å
755R97.7Very high91.9Very high61 Ų6184.5 Ų84.523%0.2339%0.388CS..Hα-helixtrans-60.2-40169.1-77.5-166.2-66.6-82-2.3112.5F722 K726 Y727 F751 W758 K759F722-R755 HydrophobicContact CE2-CG 3.69Å; F722-R755 HydrophobicContact CZ-CG 4.23Å; K726-R755 WeakPolarHBondContact O-CD 3.34Å; K726-R755 PolarHBondContact O-NH1 3.27Å; Y727-R755 VanDerWaalsContact CZ-CD 3.46Å; F751-R755 WeakPolarHBondContact O-CG 3.36Å; F751-R755 PolarHBondContact O-N 2.99Å; R755-W758 PolarHBondContact O-N 3.16Å; R755-K759 WeakPolarHBondContact O-CB 2.95Å; R755-K759 PolarHBondContact O-N 3.09Å
756M97.1Very high90Very high96 Ų9679.1 Ų79.147%0.47339%0.389SS..Hα-helixtrans-71.3-31.6177.5-70.9-62.2-69.500113.2Q752 N753 R754 K760Q752-M756 WeakPolarHBondContact O-CG 3.17Å; Q752-M756 PolarHBondContact O-N 3.3Å; Q752-M756 VanDerWaalsContact O-N 3.09Å; N753-M756 PolarHBondContact O-N 2.72Å; N753-M756 VanDerWaalsContact O-N 3.16Å; R754-M756 VanDerWaalsContact C-N 3.33Å; R754-M756 PolarHBondContact O-N 3.18Å; M756-K760 WeakPolarHBondContact O-CG 2.98Å; M756-K760 PolarHBondContact O-N 3.14Å
757K96.4Very high88.2Confident101 Ų10181.7 Ų81.744%0.43940%0.402SS..Hα-helixtrans-66.4-53.2168.6177.5-178.8162-171.40110.3E719 N753 R754 K759 K760 E761E719-K757 IonicContact OE1-NZ 3.97Å; N753-K757 PolarHBondContact O-N 3.27Å; R754-K757 PolarHBondContact O-N 3.14Å; K757-K759 VanDerWaalsContact C-N 3.33Å; K757-K759 PolarHBondContact O-N 3.36Å; K757-K760 CarbonylContact O-C 3.6Å; K757-K760 WeakPolarHBondContact O-CA 3.23Å; K757-K760 WeakPolarHBondContact O-CB 3.47Å; K757-K760 PolarHBondContact O-N 2.99Å; K757-E761 WeakPolarHBondContact CE-OE1 3.41Å; K757-E761 HydrophobicContact CG-CG 4.41Å; K757-E761 WeakPolarHBondContact CG-OE1 3.41Å; K757-E761 IonicContact NZ-OE1 3.74Å; K757-E761 WeakPolarHBondContact O-CG 3.06Å; K757-E761 PolarHBondContact O-N 3.25Å
758W95.6Very high86.3Confident88 Ų8886.9 Ų86.933%0.33343%0.425SS..Hα-helixtrans-54.4-43.8178.1-179.676.2000112.9F722 R754 R755 K760 E761 H762F722-W758 HydrophobicContact CE1-CB 4.01Å; F722-W758 HydrophobicContact CE1-CG 4.04Å; F722-W758 HydrophobicContact CZ-CB 3.79Å; F722-W758 AromaticContact CZ-CG 3.98Å; F722-W758 HydrophobicContact CZ-CG 3.98Å; R754-W758 VanDerWaalsContact O-CB 3.27Å; R754-W758 WeakPolarHBondContact O-CB 3.35Å; R754-W758 PolarHBondContact O-N 3.25Å; R755-W758 PolarHBondContact O-N 3.16Å; W758-K760 PolarHBondContact O-N 3.27Å; W758-E761 WeakPolarHBondContact CA-OE2 3.1Å; W758-E761 PolarHBondContact N-OE2 3.36Å; W758-E761 WeakPolarHBondContact O-CB 3.24Å; W758-E761 PolarHBondContact O-N 3.2Å; W758-E761 VanDerWaalsContact O-N 3.09Å; W758-H762 AromaticContact CD1-CD2 3.32Å; W758-H762 AromaticContact CD1-NE2 3.37Å; W758-H762 AromaticContact CE2-CD2 3.75Å; W758-H762 AromaticContact CG-CD2 3.98Å; W758-H762 AromaticContact NE1-CD2 3.15Å; W758-H762 PolarHBondContact NE1-CD2 3.07Å; W758-H762 AromaticContact NE1-CE1 3.84Å; W758-H762 AromaticContact NE1-CG 3.98Å; W758-H762 AromaticContact NE1-NE2 3.05Å; W758-H762 PolarHBondContact NE1-NE2 3.05Å; W758-H762 PolarHBondContact O-CD2 3.1Å; W758-H762 PolarHBondContact O-N 2.75Å
759K94.6Very high84.2Confident101 Ų10188.2 Ų88.244%0.43943%0.433SS..Hα-helixtrans-58.9-43.4174.7-175.4161.168.6171.70112.5R755 K757 E761 H763R755-K759 WeakPolarHBondContact O-CB 2.95Å; R755-K759 PolarHBondContact O-N 3.09Å; K757-K759 VanDerWaalsContact C-N 3.33Å; K757-K759 PolarHBondContact O-N 3.36Å; K759-E761 VanDerWaalsContact C-N 3.3Å; K759-E761 PolarHBondContact O-N 3.08Å; K759-H763 VanDerWaalsContact O-CB 3.23Å; K759-H763 WeakPolarHBondContact O-CB 3.38Å; K759-H763 VanDerWaalsContact O-CG 3.3Å; K759-H763 PolarHBondContact O-N 2.96Å; K759-H763 PolarHBondContact O-ND1 3.21Å
760K93.2Very high82Confident151 Ų15194.1 Ų94.166%0.65745%0.451SS*.Hα-helixtrans-69.9-25.9175.4-67.9176.5178-174.10113.3M756 K757 W758M756-K760 WeakPolarHBondContact O-CG 2.98Å; M756-K760 PolarHBondContact O-N 3.14Å; K757-K760 CarbonylContact O-C 3.6Å; K757-K760 WeakPolarHBondContact O-CA 3.23Å; K757-K760 WeakPolarHBondContact O-CB 3.47Å; K757-K760 PolarHBondContact O-N 2.99Å; W758-K760 PolarHBondContact O-N 3.27Å
761E91.2Very high80.1Confident71 Ų7199 Ų9933%0.33248%0.479SS..Hα-helixtrans-73-48.9178.2-72.8166.5155.300110.5R754 K757 W758 K759 K768R754-E761 IonicContact CZ-OE2 2.72Å; R754-E761 IonicContact NH1-OE2 3.89Å; R754-E761 PolarHBondContact NH1-OE2 3.02Å; R754-E761 IonicContact NH2-OE2 3.18Å; K757-E761 WeakPolarHBondContact CE-OE1 3.41Å; K757-E761 HydrophobicContact CG-CG 4.41Å; K757-E761 WeakPolarHBondContact CG-OE1 3.41Å; K757-E761 IonicContact NZ-OE1 3.74Å; K757-E761 WeakPolarHBondContact O-CG 3.06Å; K757-E761 PolarHBondContact O-N 3.25Å; W758-E761 WeakPolarHBondContact CA-OE2 3.1Å; W758-E761 PolarHBondContact N-OE2 3.36Å; W758-E761 WeakPolarHBondContact O-CB 3.24Å; W758-E761 PolarHBondContact O-N 3.2Å; W758-E761 VanDerWaalsContact O-N 3.09Å; K759-E761 VanDerWaalsContact C-N 3.3Å; K759-E761 PolarHBondContact O-N 3.08Å; E761-K768 PolarHBondContact O-NZ 2.7Å
762H87.9Confident78.2Confident121 Ų121105.5 Ų105.556%0.5651%0.512SS*.Hα-helixtrans-88.3-29.9-173.9-71.6-98.2000115.5W758 L764W758-H762 AromaticContact CD1-CD2 3.32Å; W758-H762 AromaticContact CD1-NE2 3.37Å; W758-H762 AromaticContact CE2-CD2 3.75Å; W758-H762 AromaticContact CG-CD2 3.98Å; W758-H762 AromaticContact NE1-CD2 3.15Å; W758-H762 PolarHBondContact NE1-CD2 3.07Å; W758-H762 AromaticContact NE1-CE1 3.84Å; W758-H762 AromaticContact NE1-CG 3.98Å; W758-H762 AromaticContact NE1-NE2 3.05Å; W758-H762 PolarHBondContact NE1-NE2 3.05Å; W758-H762 PolarHBondContact O-CD2 3.1Å; W758-H762 PolarHBondContact O-N 2.75Å; H762-L764 PolarHBondContact O-N 2.99Å
763H75.4Confident76.1Confident120 Ų120107.6 Ų107.656%0.55652%0.522SS*.SBendtrans-83.530-174.6-6336.5000113.6K759K759-H763 VanDerWaalsContact O-CB 3.23Å; K759-H763 WeakPolarHBondContact O-CB 3.38Å; K759-H763 VanDerWaalsContact O-CG 3.3Å; K759-H763 PolarHBondContact O-N 2.96Å; K759-H763 PolarHBondContact O-ND1 3.21Å
764L64.3Low74Confident55 Ų55106.7 Ų106.729%0.28852%0.523SS..  trans-140.972.2-177.4-88.994.9000112.8H762 M767 K768H762-L764 PolarHBondContact O-N 2.99Å; L764-M767 HydrophobicContact CD2-CB 3.91Å; L764-M767 HydrophobicContact CD2-CE 3.94Å; L764-M767 HydrophobicContact CG-CE 4.06Å; L764-K768 HydrophobicContact CD2-CG 4.01Å
765P58.1Low71.9Confident115 Ų115114 Ų11475%0.74755%0.551SS**SBendtrans-65.8132.514630.7-31000109M767P765-M767 PolarHBondContact O-N 3.23Å
766G57.2Low69.4Low69 Ų69115.1 Ų115.171%0.71157%0.568SS**SBendtrans80.21.8161.800000120.4
767M59.6Low66.9Low109 Ų109116.2 Ų116.254%0.53758%0.583SS.*  trans-112.4-12.9178.1-39.7-157.5-56.500116.6L764 P765 Q769 R770L764-M767 HydrophobicContact CD2-CB 3.91Å; L764-M767 HydrophobicContact CD2-CE 3.94Å; L764-M767 HydrophobicContact CG-CE 4.06Å; P765-M767 PolarHBondContact O-N 3.23Å; M767-Q769 VanDerWaalsContact C-N 3.35Å; M767-Q769 PolarHBondContact O-N 3.21Å; M767-R770 PolarHBondContact O-N 3.39Å
768K57.8Low64.7Low109 Ų109119 Ų11947%0.47460%0.602SS.*SBendtrans-70.5-26.9-175-70.2172.5-174.6157.60113.7E761 L764 R770E761-K768 PolarHBondContact O-NZ 2.7Å; L764-K768 HydrophobicContact CD2-CG 4.01Å; K768-R770 PolarHBondContact O-N 3.12Å
769Q53.2Low62.4Low157 Ų157118.7 Ų118.773%0.73462%0.618SS**G310 helixtrans-65.1-36.7176.9-137.870.612.500113.2M767 L771M767-Q769 VanDerWaalsContact C-N 3.35Å; M767-Q769 PolarHBondContact O-N 3.21Å; Q769-L771 VanDerWaalsContact C-N 3.34Å; Q769-L771 PolarHBondContact O-N 3.09Å
770R51.2Low60Low184 Ų184121.3 Ų121.369%0.69463%0.632SS**G310 helixtrans-81.1-3.4-170.1-72.6-169.8-71.9-158.2-3.6115.6M767 K768 S774M767-R770 PolarHBondContact O-N 3.39Å; K768-R770 PolarHBondContact O-N 3.12Å; R770-S774 PolarHBondContact O-OG 3.08Å
771L58.6Low57.6Low132 Ų132123.4 Ų123.469%0.69164%0.641SS**G310 helixtrans-111.6-0.1-177.8-143.482000114.5Q769Q769-L771 VanDerWaalsContact C-N 3.34Å; Q769-L771 PolarHBondContact O-N 3.09Å
772I60.2Low55.4Low139 Ų139126.2 Ų126.271%0.71366%0.659SS**THydrogen-bonded Turntrans-98-45.1173.2-61.3179.7000109S774 R775I772-S774 VanDerWaalsContact C-N 3.3Å; I772-S774 PolarHBondContact O-N 3.41Å; I772-R775 PolarHBondContact O-N 3.46Å
773E52.7Low53.4Low156 Ų156129.1 Ų129.173%0.72967%0.67SS**G310 helixtrans-56.4-41172.4-140.260.9-118.700113.1R775E773-R775 PolarHBondContact O-N 3.37Å
774S53.9Low51.6Low80 Ų80131.2 Ų131.256%0.55968%0.684SS**G310 helixtrans-75.225.8-176.877.40000113.8R770 I772R770-S774 PolarHBondContact O-OG 3.08Å; I772-S774 VanDerWaalsContact C-N 3.3Å; I772-S774 PolarHBondContact O-N 3.41Å
775R53.9Low50.4Low179 Ų179135.8 Ų135.868%0.67570%0.704SS**G310 helixtrans-130.313.1-175.9-117.1179.3-179.7-144.9-5.4114.9I772 E773 P777I772-R775 PolarHBondContact O-N 3.46Å; E773-R775 PolarHBondContact O-N 3.37Å; R775-P777 VanDerWaalsContact O-CD 3.31Å; R775-P777 WeakPolarHBondContact O-CD 3.32Å
776S44.4Very low49.4Very low84 Ų84138.4 Ų138.459%0.58771%0.711SS**  trans-88.9103.5158.3-179.40000110.1N778S776-N778 VanDerWaalsContact C-N 3.28Å; S776-N778 PolarHBondContact O-N 3.48Å; S776-N778 VanDerWaalsContact O-N 3.08Å
777P46.1Very low48.5Very low120 Ų120142.5 Ų142.578%0.77972%0.717SS**THydrogen-bonded Turntrans-88.355-173.638.3-36.4000111.8R775R775-P777 VanDerWaalsContact O-CD 3.31Å; R775-P777 WeakPolarHBondContact O-CD 3.32Å
778N48.7Very low47.5Very low158 Ų158141.2 Ų141.285%0.84572%0.724SS**THydrogen-bonded Turntrans-1593.2172-106.9-15.6000116.9S776S776-N778 VanDerWaalsContact C-N 3.28Å; S776-N778 PolarHBondContact O-N 3.48Å; S776-N778 VanDerWaalsContact O-N 3.08Å
779A47.1Very low46.6Very low82 Ų82144 Ų14468%0.67874%0.744SS**SBendtrans-112.215.8-167.300000116.6
780H45.5Very low46Very low157 Ų157140.8 Ų140.873%0.72774%0.739SS**SBendtrans-127.41178.4-139.163.3000116.9N782H780-N782 PolarHBondContact O-N 3.18Å
781F43.2Very low45.2Very low194 Ų194140.9 Ų140.985%0.85175%0.751SS**SBendtrans-77.8104.2148.5-95.8-92.4000107.2
782N44.7Very low44.4Very low130 Ų130138.3 Ų138.370%0.69574%0.744SS**SBendtrans161.6-18.1154-84.1-16000112.8H780 L784 H785H780-N782 PolarHBondContact O-N 3.18Å; N782-L784 PolarHBondContact O-N 3.38Å; N782-H785 PolarHBondContact O-N 3.43Å; N782-H785 VanDerWaalsContact O-N 3.08Å
783K46.2Very low43.4Very low182 Ų182137.6 Ų137.679%0.79174%0.741SS**THydrogen-bonded Turntrans-76.114.2175.4-143.6-177.5-179.1-179.90114.8
784L37.3Very low42.6Very low165 Ų165138.8 Ų138.886%0.86475%0.748SS**THydrogen-bonded Turntrans-120.816.3167.3-75.6174.3000112.6N782N782-L784 PolarHBondContact O-N 3.38Å
785H39.7Very low41.7Very low151 Ų151141.4 Ų141.470%0.69976%0.756SS**SBendtrans-124.959.1174-95.2-100.7000111.3N782N782-H785 PolarHBondContact O-N 3.43Å; N782-H785 VanDerWaalsContact O-N 3.08Å
786N37.2Very low40.9Very low169 Ų169138.8 Ų138.890%0.90476%0.76SS**SBendtrans-154.932.6166.4-104.5-29.5000113.9
787N36.7Very low40.7Very low155 Ų155139.6 Ų139.683%0.82976%0.762SS**SBendtrans-149.560.3155.5-164.38000110.9
788A38.3Very low40.4Very low83 Ų83140.7 Ų140.769%0.68676%0.761SS**  trans-131.339.4175.400000110.3
789N40.3Very low40Very low167 Ų167140.6 Ų140.689%0.89376%0.761SS**  trans-140.343.5-178.8-108.9-8.3000111.6
790S40.2Very low39.4Very low89 Ų89140.6 Ų140.662%0.62277%0.769SS**  trans-152.772.3156-1650000111S792S790-S792 PolarHBondContact O-N 3.27Å
791I33.9Very low38.9Very low187 Ų187136.6 Ų136.696%0.95977%0.77SS**  trans-78.780.6145.2-61.9-178.9000105.3
792S42Very low38.8Very low77 Ų77134 Ų13454%0.53876%0.764SS.*  trans-141.997.2171.3-170.90000108.9S790S790-S792 PolarHBondContact O-N 3.27Å
793I39.1Very low38.7Very low125 Ų125134 Ų13464%0.64176%0.764SS**  trans55.3122.2146.9-52174.1000116.8N795I793-N795 HydrophobicContact CG2-CB 4.38Å; I793-N795 VanDerWaalsContact CG2-OD1 3.29Å; I793-N795 WeakPolarHBondContact CG2-OD1 3.19Å; I793-N795 PolarHBondContact O-N 3.33Å
794M37.2Very low38.6Very low181 Ų181131.4 Ų131.489%0.89276%0.76SS**  trans-65.878.9161.3-67.6-175.6-69.500110.6T796M794-T796 PolarHBondContact O-N 3.16Å; M794-T796 VanDerWaalsContact O-N 3.11Å
795N34.2Very low38.7Very low134 Ų134130.4 Ų130.472%0.71776%0.755SS**  trans-85.762.9172.7-91.9-14000110.5I793 T797I793-N795 HydrophobicContact CG2-CB 4.38Å; I793-N795 VanDerWaalsContact CG2-OD1 3.29Å; I793-N795 WeakPolarHBondContact CG2-OD1 3.19Å; I793-N795 PolarHBondContact O-N 3.33Å; N795-T797 PolarHBondContact O-N 3.18Å
796T37.8Very low38.7Very low124 Ų124131 Ų13176%0.76176%0.761SS**  trans-76.273.6166.1-43.10000109.5M794M794-T796 PolarHBondContact O-N 3.16Å; M794-T796 VanDerWaalsContact O-N 3.11Å
797T39.8Very low38.7Very low102 Ų102130.6 Ų130.663%0.62675%0.754SS**  trans34.1114.2146.553.60000119.4N795N795-T797 PolarHBondContact O-N 3.18Å
798N40.1Very low39.1Very low143 Ų143128.1 Ų128.177%0.76575%0.746SS**  trans103.8144.6132.4-59.1-9.5000119.9
799N39.8Very low39.2Very low156 Ų156128.1 Ų128.183%0.83474%0.741SS**  trans60.269.3162.2-62.19.1000117.3
800G34.5Very low39Very low82 Ų82127.4 Ų127.485%0.84574%0.737SS**  trans-67.2151.5131.700000109.7
801G35.1Very low39Very low73 Ų73128.3 Ų128.375%0.75374%0.738SS**  trans154.361.7-177.200000115.5
802N40.8Very low39.3Very low138 Ų138127.2 Ų127.274%0.73873%0.727SS**  trans31.4115.8146.5-61.7-8.7000120
803N43.4Very low39.2Very low130 Ų130131.7 Ų131.770%0.69574%0.739SS**  69.3125.2120.7-55.5-9.3000120.8
804N43.8Very low39.2Very low129 Ų129129.7 Ų129.769%0.6974%0.741SS**  trans79.8108.1134.2-62.1-1.4000120.6
805N39.4Very low39.2Very low143 Ų143126.4 Ų126.477%0.76574%0.736SS**  trans85.5158.4133.8-52.3-16.2000120.1
806I40.2Very low39.5Very low163 Ų163125.5 Ų125.584%0.83674%0.741SS**  trans78.280.7158.5-32.5-169000118.4
807H36.8Very low39.7Very low162 Ų162124.9 Ų124.975%0.7574%0.741SS**  trans-18.1146.6134.8-170.1-116.1000115.4
808P43.5Very low39.8Very low102 Ų102124.9 Ų124.966%0.66275%0.745SS**  cis-143.9162.544.622.14.9000120.2
809S40.3Very low39.9Very low83 Ų83123 Ų12358%0.5874%0.744SS**  trans13.4133.2147.467.50000123.4
810L38Very low40Very low153 Ų153120.8 Ų120.880%0.80174%0.74SS**  168.5101.898.4-83.2177.8000110.5
811T39.5Very low40.3Very low107 Ų107124 Ų12466%0.65674%0.737SS**  82.7144.392.5-32.70000116.4
812F39.6Very low40.4Very low165 Ų165128.6 Ų128.672%0.72474%0.737SS**  trans73.1104.8176.9-71.9-89.1000116.1
813Q40.9Very low40.2Very low170 Ų170127.4 Ų127.479%0.79474%0.739SS**  78.4133.286-79.3-171.8500113.7
814A37.7Very low40Very low83 Ų83125.6 Ų125.669%0.68674%0.737SS**  cis-160.9172-6.900000112
815S38.7Very low39.9Very low112 Ų112129.5 Ų129.578%0.78374%0.742SS**  trans66.1126.2163.347.70000121.5
816S40.7Very low39.6Very low116 Ų116130.5 Ų130.581%0.81174%0.74SS**  trans59.772.8152.751.90000120.1
817S40.7Very low39.6Very low110 Ų110130.1 Ų130.177%0.76973%0.734SS**  trans-61.3171.5135.259.70000110.7
818S42.7Very low39.5Very low102 Ų102129.2 Ų129.271%0.71373%0.734SS**  cis-172.8156.7-1.825.40000108
819S42.7Very low39.1Very low104 Ų104131.6 Ų131.673%0.72774%0.738SS**  cis-170.9143.3-16.348.70000110
820S40.8Very low39.1Very low109 Ų109132 Ų13276%0.76274%0.741SS**  trans-62.2146.8162.7540000113
821L41.2Very low38.8Very low149 Ų149133 Ų13378%0.7874%0.742SS**  trans-160.1150.1151.5-67.2-172.8000108.4
822F37Very low38.6Very low171 Ų171134.7 Ų134.775%0.7575%0.747SS**  cis-143.6151.6-8.4-142.1-73.7000109.6
823S37.4Very low38.5Very low113 Ų113133 Ų13379%0.7975%0.745SS**  trans-141.5121.6166.81750000109.9
824S39.2Very low38.2Very low91 Ų91133.9 Ų133.964%0.63675%0.746SS**  trans176.5159.4173.3-88.30000112.1
825R40.3Very low37.9Very low212 Ų212134.9 Ų134.980%0.875%0.748SS**  cis-170.5128.9-36.6-134.4176175.8-178.9-0.5109.8
826F34.8Very low37.7Very low164 Ų164135.3 Ų135.372%0.71974%0.741SS**  trans54.2159.5138.4-89.2-115.6000123.8
827Q39.8Very low37.4Very low155 Ų155136.2 Ų136.272%0.72474%0.737SS**  trans75.5139.2146.8-82.1143.8-18.700119.8
828L35Very low37.2Very low142 Ų142139.1 Ų139.174%0.74374%0.743SS**  cis-167.9172.3-18.5-128.3-170.8000112.1
829M33.4Very low37.1Very low153 Ų153138.9 Ų138.975%0.75474%0.742SS**  trans84140.2150.3-73.6164.775.900122.8
830S40.7Very low36.8Very low92 Ų92141.4 Ų141.464%0.64375%0.747SS**  trans53.9120.2156.3-540000119.9
831Q33.1Very low36.3Very low173 Ų173141.5 Ų141.581%0.80875%0.746SS**  61.210667.2-66.2-177.7-15.400113.4
832D34.6Very low36.1Very low142 Ų142140.7 Ų140.776%0.75975%0.75SS**  -173.6161.394-109.9-31000117.2
833L36.6Very low35.8Very low131 Ų131139.9 Ų139.969%0.68675%0.752SS**  trans24.4115.7150.7-60.8167.3000124
834K35.5Very low35.7Very low187 Ų187140.6 Ų140.681%0.81375%0.751SS**  46127120.7-71.2175.5177.9171.30123.7
835S30.7Very low35.4Very low104 Ų104140.6 Ų140.673%0.72775%0.751SS**  90155.2129.481.10000123.2
836D36.1Very low35.1Very low121 Ų121136.4 Ų136.465%0.64775%0.745SS**  trans81.990.6159.1-62-65000122.9
837N34.3Very low35.1Very low136 Ų136136 Ų13673%0.72775%0.745SS**  65.7157112.5-74.8-58.8000122.4
838L36.6Very low34.9Very low171 Ų171134.9 Ų134.990%0.89574%0.744SS**  trans75.6142.9174.2-50.4177.7000114.8
839S39.9Very low35Very low97 Ų97134.2 Ų134.268%0.67874%0.742SS**  cis-1561654.753.70000114
840N36.2Very low35.2Very low157 Ų157133.1 Ų133.184%0.8474%0.744SS**  trans74.6123.6154-64.9-7.7000122.1
841C29.5Very low34.9Very low111 Ų111134.4 Ų134.475%0.7575%0.752SS**  trans-85.5-179.4161.7-49.40000111.2
842P37.6Very low35.2Very low132 Ų132134.4 Ų134.486%0.85776%0.757SS**  -133.8174.697.938.9-30.5000114.8
843I30.8Very low35.5Very low154 Ų154134.1 Ų134.179%0.7975%0.753SS**  trans-108.1140.2-170.3-61.7159.3000110.2
844T34.9Very low36Very low127 Ų127132.5 Ų132.578%0.77975%0.75SS**  trans-172.5118.9137.130.50000111.5
845S34Very low36.2Very low91 Ų91128.8 Ų128.864%0.63675%0.745SS**  trans16.5125.3133.549.30000118
846N32.6Very low36.6Very low124 Ų124130.9 Ų130.966%0.66375%0.748SS**  cis-169.2158.849.1-115.515.6000114.4
847E34.9Very low37Very low155 Ų155131 Ų13172%0.72475%0.745SS**  trans57.8112.8141.6-67.6157.2174.600122
848D35.7Very low37.1Very low132 Ų132135.8 Ų135.871%0.70675%0.753SS**  93.8120.5126.5-84.336.8000124.5
849N37.3Very low37Very low129 Ų129133.1 Ų133.169%0.6975%0.748SS**  trans72.369.3145.3-58.3-44.4000119.8
850T36.9Very low36.8Very low130 Ų130136.3 Ų136.380%0.79876%0.757SS**  31.8112.3126.557.40000118.6L852T850-L852 PolarHBondContact O-N 2.84Å
851S35.1Very low36.6Very low118 Ų118136.2 Ų136.283%0.82575%0.753SS**PPolyproline II helixtrans-64.3127.3170.854.20000113.4
852L39.2Very low36.9Very low173 Ų173137.7 Ų137.791%0.90676%0.759SS**PPolyproline II helixtrans-69.6133.5163.6-80.1161.7000110.7T850T850-L852 PolarHBondContact O-N 2.84Å
853M41.7Very low36.8Very low136 Ų136136.7 Ų136.767%0.6776%0.755SS**PPolyproline II helixtrans-70.5154.6178.6-77.2176.559.400113.1
854P46Very low37Very low97 Ų97134.7 Ų134.763%0.6375%0.754SS**PPolyproline II helixtrans-61.4145.9170.1-20.733.1000112.7D856P854-D856 VanDerWaalsContact C-N 3.28Å; P854-D856 PolarHBondContact O-N 3.12Å
855P41Very low37Very low109 Ų109135.8 Ų135.871%0.70876%0.756SS**SBendtrans-82.750.9-169.235.2-38.4000114.9
856D39.4Very low37Very low148 Ų148138.3 Ų138.379%0.79176%0.761SS**  trans-113.19.1-175.9-79.6-51.4000115.4P854P854-D856 VanDerWaalsContact C-N 3.28Å; P854-D856 PolarHBondContact O-N 3.12Å
857Q42.6Very low37.1Very low125 Ų125140 Ų14058%0.58477%0.765SS**  trans-116.911.6-178.2-73.1-165.2-1900116.3S859Q857-S859 PolarHBondContact O-N 2.72Å
858W36.7Very low37.1Very low236 Ų236137.6 Ų137.689%0.89476%0.761SS**THydrogen-bonded Turntrans-71.633.9-176.7-80.487.7000115.8
859S36.1Very low37.1Very low114 Ų114141.2 Ų141.280%0.79777%0.766SS**THydrogen-bonded Turntrans-128.9-9.3177.4-71.60000115.7Q857Q857-S859 PolarHBondContact O-N 2.72Å
860L35.5Very low37Very low165 Ų165139.2 Ų139.286%0.86476%0.763SS**SBendtrans-142.249.6-177.1-70.7176.2000113.6
861M31.2Very low36.7Very low154 Ų154140 Ų14076%0.75976%0.762SS**  trans-157.561.2171.4-118.8-170.5-55.800114.5
862V36.1Very low36.7Very low142 Ų142142.3 Ų142.386%0.86176%0.764SS**  trans-137.667.5159.6-168.40000109.1
863S34.4Very low36.5Very low111 Ų111139.6 Ų139.678%0.77676%0.755SS**  trans-156.4146.2173.2-70.90000109.2
864S35.6Very low36.2Very low112 Ų112140.2 Ų140.278%0.78376%0.76SS**  trans72.3138.5176.9-52.50000117
865N34.9Very low35.5Very low150 Ų150141.2 Ų141.280%0.80276%0.759SS**  trans89.1122.3179.9-54.4-17.7000115.3
866L35.2Very low35.3Very low144 Ų144142.2 Ų142.275%0.75476%0.764SS**  cis-151.4155.2-0.8-152.371.7000111.7
867Q33.2Very low35.2Very low160 Ų160140 Ų14075%0.74876%0.757SS**  trans-55.2158.6167.9-82.879-8.700111.7
868T35.4Very low34.6Very low104 Ų104144.4 Ų144.464%0.63877%0.77SS**  -173.8165.677.3-52.60000110.9
869Y35.5Very low34.5Very low208 Ų208141.8 Ų141.882%0.81677%0.768SS**  trans69.393.5175.6-54.7-70.5000115.4
870S34.8Very low34.3Very low88 Ų88141.2 Ų141.262%0.61576%0.763SS**  cis92.899.930.390.50000116
871N32Very low34.3Very low146 Ų146138 Ų13878%0.78176%0.755SS**  trans68.3156.2154-50.3-26.7000116.7
872L34.5Very low34.5Very low167 Ų167138.8 Ų138.887%0.87476%0.761SS**  cis-121154.78.1-81.179.1000113.5
873T34.4Very low34.8Very low115 Ų115137.1 Ų137.171%0.70675%0.753SS**  trans-77.3156.3166.1-42.50000111.4
874I35.1Very low35.1Very low150 Ų150137.6 Ų137.677%0.76975%0.754SS**  178.9112.2127.8-90.4154.8000112.3
875N33.1Very low35Very low117 Ų117138.3 Ų138.363%0.62675%0.753SS**  trans35.3106.6138.8-50.4-10.7000120.8
876T35Very low35.1Very low130 Ų130139.4 Ų139.480%0.79875%0.754SS**  85.9170.399.676.40000113.9
877P37.4Very low34.9Very low101 Ų101139.7 Ų139.766%0.65675%0.751SS**  -130.2-173.1-107.726.6-0.5000115.1
878Y30.4Very low35Very low218 Ų218138.8 Ų138.886%0.85575%0.747SS**  trans81.2157.6167.5-70-82.2000119.5
879H34.2Very low35.1Very low182 Ų182140.6 Ų140.684%0.84375%0.747SS**  trans84.1143.8167.8-107.7-96.7000119.7
880S32.4Very low35.2Very low101 Ų101137.8 Ų137.871%0.70674%0.741SS**  trans-107.4-178.8-161.4-52.90000112.2
881S35.6Very low35.1Very low98 Ų98142.5 Ų142.569%0.68575%0.746SS**  trans70.1100.9156.547.70000119.3
882L36.2Very low35.5Very low170 Ų170141.7 Ų141.789%0.8974%0.737SS**  80.4161.6126.2-69.4164.4000118.1
883P40.9Very low35.9Very low108 Ų108138.4 Ų138.470%0.70172%0.724SS**  trans-108.1-174.6-146.844.5-38.3000113.2
884P40.8Very low36.2Very low121 Ų121140.2 Ų140.279%0.78673%0.729SS**  -141.3165.787.338.9-25000115.3
885T34.9Very low36.4Very low126 Ų126136.5 Ų136.577%0.77373%0.728SS**  trans-67.4141.916049.90000111.3
886Q35.4Very low36.6Very low174 Ų174137.7 Ų137.781%0.81374%0.735SS**  -170.7124.7127.7-109.2173.520.900114.5
887H31.4Very low36.6Very low150 Ų150141.5 Ų141.569%0.69474%0.736SS**  57.5149.6125.8-91.8-122.3000123.8
888H36.8Very low36.4Very low141 Ų141143.7 Ų143.765%0.65374%0.742SS**  trans72.6137.5153.9-64.8-42.3000118.1
889H36.7Very low37.1Very low141 Ų141138 Ų13865%0.65373%0.732SS**  cis-164.4167.8-16.3-131.2-6.8000113.3
890H37.5Very low37Very low150 Ų150137.5 Ų137.569%0.69473%0.733SS**  trans72152.2157.1-7431.5000119
891R33Very low37.1Very low186 Ų186136.1 Ų136.170%0.70274%0.736SS**  cis-171.4170.7-33.5-159.2167.7-178.5-1289107.4
892H39.4Very low36.9Very low130 Ų130142.6 Ų142.660%0.60275%0.745SS**  trans79.3128.7160.1-71.2-68000118.3
893T43.4Very low37Very low98 Ų98141.8 Ų141.860%0.60174%0.741SS**  cis-159.4168.2-22-10.40000111.5
894D40.8Very low36.9Very low152 Ų152141.9 Ų141.981%0.81375%0.745SS**  trans71.1139.9158-49.5-32.4000119.1
895G39.1Very low36.8Very low73 Ų73141.3 Ų141.375%0.75374%0.741SS**  trans166.7-30.9-178.600000116.6
896N36.9Very low36.9Very low142 Ų142142.8 Ų142.876%0.75974%0.743SS**  trans67.6125.4167.7-87.20.6000121.7
897Y36.4Very low37.1Very low209 Ų209141 Ų14182%0.8274%0.738SS**  trans6195.4148.4-67.9-74.9000123.4
898N33.1Very low37.5Very low147 Ų147139.7 Ų139.779%0.78674%0.743SS**  trans-70.9178.6140.2-114.4-11.7000111.1
899P44Very low37.2Very low98 Ų98138.6 Ų138.664%0.63674%0.742SS**  cis-133.9-151.5-38.532.9-10.1000110.9
900I31.7Very low37.1Very low172 Ų172143.4 Ų143.488%0.88276%0.756SS**  trans77.5110.4168.5-47.6167.7000115.1
901G34.3Very low37.2Very low73 Ų73140.6 Ų140.675%0.75376%0.759SS**  trans-166151.6169.300000109.4
902R33.2Very low37.1Very low233 Ų233137.2 Ų137.288%0.87976%0.764SS**  trans-99.9178.3175.4-64.1179.1-177.9159.11110.2
903D37.7Very low37.1Very low153 Ų153137.4 Ų137.482%0.81878%0.776SS**  trans104.3117.9153.3-51-29.8000117.2
904S37.6Very low36.7Very low111 Ų111137 Ų13778%0.77678%0.784SS**  trans-58.5172.8161.6-41.60000110.5
905P40.2Very low36.4Very low109 Ų109137.7 Ų137.771%0.70879%0.786SS**  cis-158.6-162.238.341.6-16000118.2
906I36.5Very low36.1Very low157 Ų157141.4 Ų141.481%0.80579%0.789SS**  trans85.2116.8156.9-67.1164000118
907L38.6Very low36.1Very low135 Ų135139.7 Ų139.771%0.70778%0.783SS**  trans-81.9168.8162.1-93.9156000110.9
908P39.9Very low35.7Very low124 Ų124136.3 Ų136.381%0.80578%0.779SS**  -129.1141110.85.415.2000113.6
909D31.7Very low35.6Very low118 Ų118136.8 Ų136.863%0.63178%0.777SS**  trans-67160.4163.6-67.6-73.4000112.2
910Y35.3Very low35Very low241 Ų241138.4 Ų138.495%0.94578%0.779SS**  -164.8149.3109.1-98.3-65.4000110.6
911A37.8Very low34.9Very low92 Ų92137 Ų13776%0.7677%0.768SS**  trans-109159.2-149.600000116.7
912S31.9Very low34.7Very low114 Ų114139.4 Ų139.480%0.79776%0.763SS**  trans-79.2147.2166.6-58.80000112.1
913P39.1Very low34.5Very low134 Ų134137.9 Ų137.987%0.8777%0.765SS**  trans-84136.217133-32.6000112
914A35.2Very low34Very low91 Ų91134.6 Ų134.675%0.75276%0.755SS**  trans-144137.6174.500000112.7
915L35.1Very low33.7Very low165 Ų165136.5 Ų136.586%0.86476%0.756SS**  trans42.9103.6151.9-55.9178.8000120.8
916N31.1Very low33.3Very low151 Ų151139.4 Ų139.481%0.80776%0.76SS**  65.5163.6112.1-156.734.1000121.8
917V37.1Very low33.1Very low107 Ų107137.9 Ų137.965%0.64875%0.753SS**  trans89.3110.7166.6-169.40000117.8
918D29.7Very low32.9Very low138 Ų138139.4 Ų139.474%0.73876%0.756SS**  trans27.5137144.7-62.7-50000124.7
919H30.4Very low32.4Very low157 Ų157140 Ų14073%0.72775%0.752SS**  trans75124.5138.1-98-91.5000121.8
920L30.6Very low32.6Very low131 Ų131139 Ų13969%0.68675%0.751SS**  trans71.2156.8152.8-51178000116.3
921H29.6Very low32.5Very low142 Ų142135.5 Ų135.566%0.65774%0.743SS**  cis-149.3152.6-8.9-118.7145.9000109.4
922I30.7Very low32.3Very low125 Ų125136 Ų13664%0.64173%0.732SS**  trans29.7121.7146.9-63.7160.1000119.3S924I922-S924 PolarHBondContact O-N 2.68Å; I922-S924 VanDerWaalsContact O-N 3.14Å
923H28.7Very low32.7Very low200 Ų200137.1 Ų137.193%0.92673%0.725SS**  trans-63.4106.2157.3-106.2-127.9000110.9
924S28Very low32.6Very low85 Ų85138.1 Ų138.159%0.59472%0.718SS**  trans-169.8132.1167.6-78.30000108.4I922I922-S924 PolarHBondContact O-N 2.68Å; I922-S924 VanDerWaalsContact O-N 3.14Å
925N30.7Very low32.7Very low150 Ų150140 Ų14080%0.80272%0.715SS**  cis-147.4163.2-3.7-81.9-46.9000108.6
926H31.3Very low32.8Very low171 Ų171137.9 Ų137.979%0.79271%0.705SS**  trans-145.4108156.1-153.359.8000111.9
927L32.9Very low33Very low125 Ų125137.5 Ų137.565%0.65470%0.703SS**  160.5135.9128.3-85.4162.5000111.8
928H34Very low32.8Very low166 Ų166139.5 Ų139.577%0.76971%0.708SS**  trans58.9127.6164.6-58.9114.5000117.6
929N29.8Very low33.1Very low137 Ų137135.7 Ų135.773%0.73370%0.702SS**  cis-175.9174.221.7-153.5-2000109.9
930T34.7Very low33.2Very low98 Ų98135.8 Ų135.860%0.60171%0.707SS**  trans57.3108.9155.348.80000122.1
931Q33.4Very low33.4Very low166 Ų166136.5 Ų136.578%0.77671%0.711SS**  76.8135.2106.7-143.2153.34.300119.6
932D34.3Very low33.5Very low102 Ų102137.7 Ų137.755%0.54572%0.715SS.*  cis-156169-2.3-130.2-28.5000113.6
933H39.8Very low33.6Very low139 Ų139138.8 Ų138.864%0.64472%0.717SS**  trans57.7121.2149.4-65.7-31.5000125.3
934H37.8Very low33.9Very low154 Ų154135 Ų13571%0.71370%0.703SS**  59.7150.2125.7-63.5-58.4000122.1
935N37.8Very low34.1Very low130 Ų130137 Ų13770%0.69571%0.708SS**  cis-154.4157.98-123.31.2000116.1
936D36.1Very low34.2Very low122 Ų122134.1 Ų134.165%0.65270%0.699SS**  trans-47.2147.9176.1-49.2-48.7000121
937N36.6Very low34.4Very low142 Ų142133.9 Ų133.976%0.75970%0.704SS**  175.7130120.1-93.5-63.3000108.8
938I32.5Very low34.3Very low150 Ų150131.2 Ų131.277%0.76971%0.706SS**  62.912557.7-53.4171.9000112.1
939G35.6Very low34.4Very low58 Ų58131.6 Ų131.660%0.59871%0.714SS**  cis161.2165.5-5.700000112.8
940N32.5Very low34.5Very low159 Ų159130.3 Ų130.385%0.8572%0.716SS**  trans66.2163.6174.9-58.8-23.9000115.4
941L34.1Very low34.4Very low146 Ų146129.9 Ų129.976%0.76472%0.717SS**  cis-142.8168.215.7-171.159.1000112.4
942F31.4Very low34.3Very low166 Ų166128.1 Ų128.173%0.72872%0.718SS**  trans-53.8164.8164.6-75.3-117.1000111.2
943Q34.1Very low34.3Very low149 Ų149128.8 Ų128.870%0.69673%0.725SS**  cis-171.3158.948.5-144.7120.50.700113.7
944D34.1Very low33.8Very low119 Ų119128.8 Ų128.864%0.63673%0.73SS**  trans67.5121141.8-76.818.1000126
945N32.3Very low33.5Very low128 Ų128129.3 Ų129.368%0.68474%0.738SS**  81.8103.4125-65.8-29.3000123.3
946S32.2Very low33.2Very low90 Ų90130.3 Ų130.363%0.62974%0.742SS**  50119.8126.167.20000120.8
947N35.5Very low32.9Very low166 Ų166135.5 Ų135.589%0.88875%0.753SS**  -168.9143.299.7-92.6-45.4000110.7
948G32.1Very low32.6Very low68 Ų68138 Ų13870%0.70175%0.753SS**  trans-113.5157.6-179.500000112.9
949N34.7Very low32.7Very low174 Ų174135.2 Ų135.293%0.9375%0.745SS**  trans-151.7152.2161-108.1-44.2000111.7
950S32.4Very low32.6Very low110 Ų110139.1 Ų139.177%0.76976%0.757SS**  trans-58.5154.5-175.1-150.30000112.5
951S32.5Very low32.7Very low90 Ų90138.6 Ų138.663%0.62975%0.752SS**  176.7154.153.949.30000112.9
952T31.9Very low32.6Very low128 Ų128137.2 Ų137.279%0.78575%0.751SS**  trans59.9144.6159.28.80000116.9
953V33.5Very low32.6Very low116 Ų116135.8 Ų135.870%0.70376%0.756SS**  cis-149.2146.737.41720000111.5
954N30.8Very low32.6Very low140 Ų140136.3 Ų136.375%0.74976%0.763SS**  trans22.2108.4159.4-52.5-15.4000120.4
955N30.2Very low32.7Very low164 Ų164138.3 Ų138.388%0.87777%0.774SS**  trans-161.871.2144.6-108.7-45000111.7R957N955-R957 PolarHBondContact O-N 2.95Å
956L31.4Very low32.7Very low151 Ų151140.3 Ų140.379%0.79178%0.781SS**  trans-77.968.8178.5-85.1169.6000112.7Y958L956-Y958 HydrophobicContact CB-CE2 4.49Å; L956-Y958 PolarHBondContact O-N 3.49Å
957R30.3Very low32.8Very low231 Ų231144.3 Ų144.387%0.87279%0.79SS**  trans-66103.9159.8172-176.6-85.8-169.3-7108.1N955N955-R957 PolarHBondContact O-N 2.95Å
958Y31.3Very low32.8Very low195 Ų195142.6 Ų142.677%0.76578%0.78SS**PPolyproline II helixtrans-65.1141.6174.2-85.8-88.7000111.2L956L956-Y958 HydrophobicContact CB-CE2 4.49Å; L956-Y958 PolarHBondContact O-N 3.49Å
959P33.5Very low32.7Very low91 Ų91145.4 Ų145.459%0.59179%0.789SS**PPolyproline II helixtrans-85.9145.5-16233-36.3000114M961P959-M961 HydrophobicContact CB-CE 4.23Å; P959-M961 HydrophobicContact CG-CE 4.48Å; P959-M961 PolarHBondContact O-N 3.04Å
960T32.7Very low32.7Very low140 Ų140147.3 Ų147.386%0.85979%0.789SS**PPolyproline II helixtrans-70.5116.8160.247.10000109.8
961M35.5Very low32.9Very low149 Ų149145.5 Ų145.573%0.73478%0.781SS**PPolyproline II helixtrans-97.5143.5170.8-76-72.2104.800110.9P959P959-M961 HydrophobicContact CB-CE 4.23Å; P959-M961 HydrophobicContact CG-CE 4.48Å; P959-M961 PolarHBondContact O-N 3.04Å
962P33.3Very low33.1Very low116 Ų116147.9 Ų147.975%0.75378%0.784SS**PPolyproline II helixtrans-75.9154.6-175.131.5-35.7000112.7
963V31.1Very low33.3Very low136 Ų136153.6 Ų153.682%0.82479%0.792SS**PPolyproline II helixtrans-84.1116.1172.5178.50000109.3
964N34Very low33.3Very low161 Ų161156 Ų15686%0.86180%0.796SS**  trans-170.997.1154.4-95.8-23.5000109.7
965D35Very low33.4Very low160 Ų160156.9 Ų156.986%0.85680%0.8SS**  -165.6138.3120.5-131.9-36.9000112
966M32Very low33.6Very low171 Ų171160 Ų16084%0.84280%0.801SS**  trans-115.239.4-161.6-164.6176.855.200113.5
967H34.3Very low33.7Very low173 Ų173160.8 Ų160.880%0.80181%0.805SS**  trans-135.934.2-166-106.1-83.1000118.6
968L35.8Very low33.9Very low131 Ų131155.1 Ų155.169%0.68680%0.801SS**  trans-132.915.3171.4-145.168.6000117.8K970 I972L968-K970 PolarHBondContact O-N 3.29Å; L968-I972 HydrophobicContact CD2-CD1 4.49Å
969S30Very low33.9Very low127 Ų127152.7 Ų152.789%0.88880%0.801SS**THydrogen-bonded Turntrans-92.161.9175.6-75.90000113.7
970K36.1Very low34.2Very low214 Ų214154 Ų15493%0.9381%0.81SS**THydrogen-bonded Turntrans-157.7-14.8164.9-114.5163.5-172.5177.10116.7L968L968-K970 PolarHBondContact O-N 3.29Å
971A36.1Very low34.3Very low72 Ų72153.5 Ų153.560%0.59581%0.806SS**SBendtrans-95.7-23.1-171.100000116.1R973A971-R973 PolarHBondContact O-N 3Å
972I36.1Very low34.3Very low139 Ų139152.6 Ų152.671%0.71380%0.8SS**THydrogen-bonded Turntrans-97.756.3-169.4-41.7-178.4000111.9L968L968-I972 HydrophobicContact CD2-CD1 4.49Å
973R35.7Very low34.3Very low249 Ų249155.1 Ų155.194%0.9480%0.804SS**THydrogen-bonded Turntrans-13610170.2-85.9-163.1174.1-156.70.2114.7A971A971-R973 PolarHBondContact O-N 3Å
974Q34.3Very low34.5Very low167 Ų167154.8 Ų154.878%0.7880%0.797SS**SBendtrans-125.9153.8169.9-67173.7-15.500107.9
975N33Very low34.5Very low157 Ų157155.7 Ų155.784%0.8480%0.796SS**SBendtrans88.68.7-178.8-55.5-22.6000120.4
976Y34.1Very low34.3Very low230 Ų230156.4 Ų156.490%0.90280%0.795SS**  trans-126.743.3164.9-79.1-74.5000113.8
977L34.6Very low34.4Very low168 Ų168156.8 Ų156.888%0.8880%0.795SS**  trans-124.991.3161.9-97.284.9000109.9
978S33.2Very low34.3Very low111 Ų111154.3 Ų154.378%0.77679%0.792SS**  trans-167.8154.2154.4-840000109.7
979N30.8Very low34.1Very low144 Ų144155.6 Ų155.677%0.7780%0.796SS**  trans71.677.1179.1-55.2-5.3000116.5
980P40.8Very low34.1Very low120 Ų120154.1 Ų154.178%0.77979%0.785SS**  trans-61130.5142.430.8-32.1000108.7E982P980-E982 PolarHBondContact O-N 3.14Å; P980-E982 VanDerWaalsContact O-N 3.15Å
981V34.7Very low33.9Very low129 Ų129151.9 Ų151.978%0.78278%0.782SS**  trans-78101170.6179.50000107.9M983V981-M983 PolarHBondContact O-N 3.08Å; V981-M983 VanDerWaalsContact O-N 3.15Å
982E35.3Very low33.6Very low129 Ų129153.5 Ų153.560%0.60379%0.785SS**  trans-69.999.4177.8-161.1151.7-116.200108.2R508 P980 D984R508-E982 IonicContact NH2-OE2 2.87Å; R508-E982 PolarHBondContact NH2-OE2 3.48Å; P980-E982 PolarHBondContact O-N 3.14Å; P980-E982 VanDerWaalsContact O-N 3.15Å; E982-D984 PolarHBondContact O-N 3.3Å
983M33.8Very low33.4Very low169 Ų169157 Ų15783%0.83379%0.789SS**  trans-81.952.5-175.6-98.8-74.3-59.600111.7V981V981-M983 PolarHBondContact O-N 3.08Å; V981-M983 VanDerWaalsContact O-N 3.15Å
984D34.6Very low33.1Very low129 Ų129151.9 Ų151.969%0.6978%0.78SS**  trans-98.1105.7179.8-73.4-17.5000111.5E982 Q986E982-D984 PolarHBondContact O-N 3.3Å; D984-Q986 PolarHBondContact O-N 2.93Å
985E33.5Very low32.9Very low180 Ų180154.8 Ų154.884%0.84179%0.786SS**SBend37.778.9129.1-162.9162.1-117.300118.9
986Q31.9Very low32.7Very low176 Ų176151.6 Ų151.682%0.82278%0.776SS**  trans-174.375.3138.3-103.3154.995.500113.4D984D984-Q986 PolarHBondContact O-N 2.93Å
987Q33.2Very low32.7Very low179 Ų179147.2 Ų147.284%0.83677%0.768SS**  trans-131.243.4160.7-77.9-162.3-8.100113M989Q987-M989 PolarHBondContact O-N 3.34Å
988T33.1Very low32.7Very low121 Ų121147.7 Ų147.774%0.74277%0.765SS**  trans-64.680142.920.40000108.5C990T988-C990 VanDerWaalsContact C-N 3.3Å; T988-C990 PolarHBondContact O-N 3.26Å
989M32.1Very low32.7Very low157 Ų157147 Ų14777%0.77376%0.761SS**  trans-68.593.6166.7-84.3-154.1-65.100108.9Q987 L991Q987-M989 PolarHBondContact O-N 3.34Å; M989-L991 VanDerWaalsContact C-N 3.34Å; M989-L991 PolarHBondContact O-N 3.16Å
990C28.7Very low32.8Very low97 Ų97147.2 Ų147.266%0.65576%0.762SS**  trans-64.591.4172.5-640000110.3T988 T992T988-C990 VanDerWaalsContact C-N 3.3Å; T988-C990 PolarHBondContact O-N 3.26Å; C990-T992 PolarHBondContact O-N 2.86Å
991L32.4Very low32.3Very low166 Ų166147.8 Ų147.887%0.86977%0.767SS**  trans-72.136.7159.2-77.6175.1000112M989 R993M989-L991 VanDerWaalsContact C-N 3.34Å; M989-L991 PolarHBondContact O-N 3.16Å; L991-R993 VanDerWaalsContact C-N 3.25Å; L991-R993 PolarHBondContact O-N 3.33Å
992T30.2Very low32.3Very low107 Ų107146.8 Ų146.866%0.65677%0.766SS**  trans-91.564.5160.855.30000107.9C990 N994C990-T992 PolarHBondContact O-N 2.86Å; T992-N994 PolarHBondContact O-N 2.98Å
993R32.1Very low32.3Very low211 Ų211145.7 Ų145.780%0.79677%0.773SS**  trans-77.292.9178.8-156174.4-164.2173.63.1108.2L991 Y995L991-R993 VanDerWaalsContact C-N 3.25Å; L991-R993 PolarHBondContact O-N 3.33Å; R993-Y995 PolarHBondContact O-N 3.38Å
994N28.6Very low32.2Very low142 Ų142142.6 Ų142.676%0.75977%0.768SS**  trans-44133.5173.7-64-45.6000110.9T992T992-N994 PolarHBondContact O-N 2.98Å
995Y30.8Very low32Very low229 Ų229143.6 Ų143.690%0.89877%0.771SS**  -147.6138128-103.2-67.9000111.3R993R993-Y995 PolarHBondContact O-N 3.38Å
996S28.9Very low31.9Very low90 Ų90141.2 Ų141.263%0.62977%0.773SS**  trans-42.3141.4-176.2-41.30000116.2
997N33.3Very low31.9Very low137 Ų137138.5 Ų138.573%0.73377%0.774SS**  169.9131.1109.1-83.8-19.3000111.5
998H34.8Very low32Very low178 Ų178133.9 Ų133.982%0.82477%0.774SS**  trans47.9144.8154.1-68.4-99000120.4
999S34.4Very low32.2Very low98 Ų98136.2 Ų136.269%0.68578%0.776SS**  cis-166.5170.2-16.943.60000108.2
1000D32.1Very low32.3Very low148 Ų148135.8 Ų135.879%0.79178%0.777SS**  trans-49.8145.6-172.1-43.3-78000116.5
1001C30.5Very low32.8Very low131 Ų131136.6 Ų136.689%0.88578%0.784SS**  -171.4159.9113-98.30000113.2
1002S34.7Very low33Very low109 Ų109136.7 Ų136.776%0.76279%0.785SS**  trans-120.9145.6-174-54.30000112.9
1003S33.8Very low33.2Very low106 Ų106137.9 Ų137.974%0.74180%0.796SS**  trans35.3129.714364.30000121.5
1004S32.5Very low33.3Very low104 Ų104131 Ų13173%0.72779%0.791SS**  124160.3118.977.60000118.1
1005I29.8Very low33.7Very low149 Ų149129.4 Ų129.476%0.76479%0.791SS**  trans69.2108.3165.7-55.1165.1000116.9
1006C32Very low33.8Very low131 Ų131125.8 Ų125.889%0.88579%0.787SS**  -157.4144.1110.6-132.60000111.6
1007S32.1Very low34.1Very low119 Ų119127.4 Ų127.483%0.83280%0.798SS**  trans-109.1136.9-170.4-53.80000112.1
1008G36.1Very low34.1Very low81 Ų81127.1 Ų127.184%0.83580%0.802SS**  trans-136.571.4-170.900000115
1009Q36.7Very low34.1Very low170 Ų170125.2 Ų125.279%0.79480%0.802SS**  trans1.1138.2161.2-55.1179.81.900121.2
1010N33.7Very low34Very low149 Ų149128.1 Ų128.180%0.79781%0.81SS**  trans68.5144.9149.6-58.6-24.2000117.6
1011S40Very low33.7Very low113 Ų113127.3 Ų127.379%0.7981%0.814SS**  cis-153.4172.68.9460000112.5
1012N34.9Very low33.9Very low169 Ų169126.7 Ų126.790%0.90481%0.812SS**  trans-68.7126.6-176.7-65.8-11.8000114.9
1013C35.2Very low33.8Very low132 Ų132125.8 Ų125.889%0.89281%0.806SS**  trans-162.5147.5137.6550000111.3
1014G34.3Very low33.9Very low66 Ų66131.4 Ų131.468%0.6881%0.812SS**  cis14781.4-8.400000114.2
1015S37.2Very low34Very low108 Ų108129.7 Ų129.776%0.75581%0.81SS**  trans71.4115.2159.5-53.30000120.1
1016N33.2Very low34.3Very low154 Ų154133.4 Ų133.482%0.82482%0.815SS**  trans56111.7130-54.5-10.7000120.8
1017S34.8Very low34.4Very low123 Ų123133.8 Ų133.886%0.8680%0.804SS**  trans-125.5135134.861.80000109.6
1018T32.5Very low34.7Very low131 Ų131132.4 Ų132.480%0.80480%0.8SS**  trans-107.2130.2-170.448.90000111.8
1019V34.8Very low34.6Very low139 Ų139136.8 Ų136.884%0.84280%0.802SS**  trans-133.8121.1164.2-174.50000110.4
1020N32.8Very low34.4Very low159 Ų159136.4 Ų136.485%0.8581%0.811SS**  trans-13.9123.7178.6-65.6-21.7000119.3
1021C26.3Very low34.4Very low130 Ų130135.8 Ų135.888%0.87881%0.812SS**  trans-89.1132154.1-63.90000111.2
1022S33.6Very low34.1Very low119 Ų119137 Ų13783%0.83281%0.813SS**  trans-164.5135.5162.8-78.70000107.4
1023S34.5Very low34.1Very low90 Ų90135.2 Ų135.263%0.62981%0.808SS**  cis-155161.3-8.9-174.90000108.4
1024Y34Very low34Very low224 Ų224135.4 Ų135.488%0.87880%0.803SS**  trans63.6132.2-175.8-48.4-86.5000115.3
1025G34.7Very low34Very low67 Ų67139.8 Ų139.869%0.69181%0.811SS**  cis126.2107.7-10.800000114.2
1026R37.8Very low33.8Very low228 Ų228141.9 Ų141.986%0.8681%0.814SS**  trans64.7144164.5-63.7169.5177.6-107.88.3116.1
1027E33.1Very low33.8Very low139 Ų139141 Ų14165%0.6581%0.814SS**  cis-150.2129.8-5.4-103.6143.5-152.100105.1
1028A37.8Very low33.7Very low90 Ų90142.4 Ų142.474%0.74481%0.81SS**  60.788.78800000114.9
1029I34.3Very low33.8Very low172 Ų172143.3 Ų143.388%0.88281%0.81SS**  trans3297.7143-49.8168000117.6
1030V32.4Very low33.7Very low163 Ų163143.7 Ų143.799%0.98881%0.808SS**  -154.90123.8179.50000108.8V540V540-V1030 HydrophobicContact CG1-CG1 3.99Å; V540-V1030 HydrophobicContact CG2-CG1 4.45Å

Retrieved 1,030 of 1,030 residues in 779.6 ms (Link to these results)