A0A3Q0KG13_SCHMA Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KG13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 528 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
1M45.5Very low43.4Very low233 Ų233142.1 Ų142.1100%1.14879%0.794SS**  0138.60-66.5166.972.700107.1
2S40.9Very low43.5Very low108 Ų108142.3 Ų142.376%0.75578%0.784SS**  trans47.8109.1170.549.30000117.6
3S43.5Very low43.4Very low116 Ų116141 Ų14181%0.81178%0.775SS**  65.4130.677-57.30000111.7
4V47.3Very low42.9Very low122 Ų122139.7 Ų139.774%0.73978%0.779SS**  cis-140.8123.533165.40000108.5
5E43.4Very low42.8Very low165 Ų165136.6 Ų136.677%0.77178%0.778SS**  70.3106.197.2-137.5151-135.900113.3
6S43.6Very low42.6Very low116 Ų116135.4 Ų135.481%0.81178%0.781SS**  66.1135.794.1-59.10000114.3
7S42.6Very low42.1Very low119 Ų119134.1 Ų134.183%0.83278%0.782SS**  cis-149.4179.922.8-165.50000114.3
8K45.2Very low42.3Very low171 Ų171133.8 Ų133.874%0.74379%0.785SS**  trans-73.4144.8-168.8-50159.9-179.8173.10115.5
9V42.1Very low42.1Very low142 Ų142135.5 Ų135.586%0.86178%0.784SS**  -153.295.5118.4-1750000107
10Q41.7Very low41.9Very low135 Ų135138.2 Ų138.263%0.63179%0.786SS**  57.298.588-79.2-151.4-79.800118.1
11H42Very low41.9Very low136 Ų136137.3 Ų137.363%0.6378%0.779SS**  trans61.8145.6142.8-52.4-73.6000120.5
12H44.1Very low41.7Very low145 Ų145134.4 Ų134.467%0.67176%0.76SS**  cis-152.6137.5-6-119.7-42.5000112.4
13N41.7Very low41.5Very low125 Ų125133.9 Ų133.967%0.66876%0.756SS**  trans37.5119.6141.1-64.125.8000122.3
14C36.8Very low41.3Very low123 Ų123133 Ų13383%0.83175%0.746SS**  69.5122123.9-580000120.3
15A41Very low41Very low93 Ų93133.9 Ų133.977%0.76974%0.742SS**  trans-83.7-168.9167.600000112.8
16S40.2Very low40.7Very low118 Ų118134.9 Ų134.983%0.82574%0.74SS**  trans74.7106.6166.155.40000119.7
17S34.3Very low40.4Very low113 Ų113133.8 Ų133.879%0.7973%0.732SS**  trans69.5122.7145.6-153.20000120
18P45.9Very low40.2Very low129 Ų129135 Ų13584%0.83873%0.729SS**  trans-84.9115.4170.233.2-30.7000111.9
19E38Very low39.7Very low165 Ų165131.9 Ų131.977%0.77172%0.72SS**  trans-86.8148.3148-71.6-163.1150.300109.7
20F38.2Very low39.6Very low189 Ų189129.4 Ų129.483%0.82971%0.707SS**  trans147.9141.4146.7-73.2-17.2000110.5
21L41.5Very low39.7Very low121 Ų121133.1 Ų133.163%0.63472%0.716SS**  cis-163.5154.6-16.7-113.1169.6000107.7
22K41.2Very low39.6Very low171 Ų171134.2 Ų134.274%0.74373%0.726SS**  trans39113152-73.8167.4-170.9168.30118.6
23S37.6Very low39.6Very low98 Ų98135.1 Ų135.169%0.68573%0.728SS**  64.8145.182.783.70000113.3
24T39.1Very low39.5Very low98 Ų98136.2 Ų136.260%0.60173%0.733SS**  -166.1141.457-62.30000110.6
25E41.2Very low39.5Very low139 Ų139139.7 Ų139.765%0.6574%0.735SS**  trans31149.7149.8-52.1162157.900120.8
26Y37.3Very low39.3Very low186 Ų186140.8 Ų140.873%0.72973%0.732SS**  cis-148.2142.440.4-84.2-94.1000109.9
27S37.7Very low39Very low93 Ų93143.1 Ų143.165%0.6574%0.735SS**  68.1131.280.2-141.70000113.5
28L37.1Very low39Very low145 Ų145142.7 Ų142.776%0.75973%0.732SS**  cis-167.2138.14.2-134.5175.6000111P30L28-P30 HydrophobicContact CD2-CG 4.1Å
29D36.2Very low38.5Very low105 Ų105146.8 Ų146.856%0.56174%0.736SS**  trans-163.6123.6141.3-167.6-46.7000110.2R31D29-R31 VanDerWaalsContact C-N 3.33Å; D29-R31 PolarHBondContact O-N 3.47Å; D29-R31 PolarHBondContact OD1-N 3.3Å
30P39.6Very low38.3Very low90 Ų90145.7 Ų145.758%0.58474%0.735SS**THydrogen-bonded Turntrans-72.6-5.1-177.1-19.634.5000117.5L28 N32L28-P30 HydrophobicContact CD2-CG 4.1Å; P30-N32 PolarHBondContact O-N 3.21Å
31R43.8Very low37.9Very low214 Ų214144.8 Ų144.881%0.80874%0.735SS**THydrogen-bonded Turntrans-73-15.9-171-78.2-179.7167168.7-2.1116.2D29 K33D29-R31 VanDerWaalsContact C-N 3.33Å; D29-R31 PolarHBondContact O-N 3.47Å; D29-R31 PolarHBondContact OD1-N 3.3Å; R31-K33 PolarHBondContact O-N 3.37Å
32N40.2Very low37.4Very low158 Ų158144.9 Ų144.985%0.84575%0.745SS**THydrogen-bonded Turntrans-75.932.3-179.7-69.7-22.5000114.5P30P30-N32 PolarHBondContact O-N 3.21Å
33K44.1Very low37.2Very low164 Ų164142 Ų14271%0.71375%0.746SS**THydrogen-bonded Turntrans-103.24.5-173.9-80.3-172.2171.5-172.60115.6R31R31-K33 PolarHBondContact O-N 3.37Å
34L38.9Very low37Very low149 Ų149142.6 Ų142.678%0.7875%0.75SS**SBendtrans-100.5-1.6-168.9-92166.9000116.6
35F37.1Very low37Very low196 Ų196142.8 Ų142.886%0.8675%0.748SS**  trans-130.122.5177.9-71.6-72.5000114.5D37F35-D37 PolarHBondContact O-N 3.44Å
36T36.9Very low37Very low116 Ų116140.4 Ų140.471%0.71274%0.742SS**  trans-76.555.4162.651.30000111.3
37D33.8Very low37.1Very low167 Ų167135.8 Ų135.889%0.89374%0.738SS**  trans-164.258166.1-98.8-28.4000112.1F35F35-D37 PolarHBondContact O-N 3.44Å
38S34.2Very low37.1Very low103 Ų103137.9 Ų137.972%0.7274%0.737SS**  trans-149.669.5159.4-165.60000111.4L40S38-L40 PolarHBondContact O-N 2.94Å
39K34.5Very low37.6Very low215 Ų215134.1 Ų134.194%0.93572%0.72SS**  trans-75.864.7169.7-83.2-175.1172.4176.80111
40L34Very low37.8Very low143 Ų143136.1 Ų136.175%0.74972%0.721SS**SBendtrans-152105.7170.4-107.7165.1000112.6S38S38-L40 PolarHBondContact O-N 2.94Å
41M29.7Very low37.7Very low169 Ų169140.4 Ų140.483%0.83373%0.726SS**  trans33.889.4147.3-59-60.7178.500118.9
42C32Very low37.6Very low124 Ų124135.7 Ų135.784%0.83871%0.714SS**  trans-164.275.6142.1-102.40000111.6S44C42-S44 PolarHBondContact O-N 3.44Å; C42-S44 VanDerWaalsContact O-N 3.12Å
43S36.1Very low38Very low109 Ų109134.7 Ų134.776%0.76270%0.704SS**  trans-67.8107.6173.6-56.40000110.5N45 V46S43-N45 PolarHBondContact O-N 3.39Å; S43-V46 WeakPolarHBondContact O-CG2 3.38Å
44S34.3Very low38Very low111 Ų111130.7 Ų130.778%0.77669%0.69SS**SBendtrans-76.355.6-17357.90000114.6C42C42-S44 PolarHBondContact O-N 3.44Å; C42-S44 VanDerWaalsContact O-N 3.12Å
45N37.7Very low38.3Very low103 Ų103127.7 Ų127.755%0.55168%0.675SS**  trans-115.620.9163.2-82.14.6000111.3S43 S47 E48 T49S43-N45 PolarHBondContact O-N 3.39Å; N45-S47 PolarHBondContact O-N 2.63Å; N45-E48 PolarHBondContact O-N 3.11Å; N45-T49 HydrophobicContact CB-CG2 4.3Å; N45-T49 PolarHBondContact O-N 2.87Å; N45-T49 VanDerWaalsContact O-N 3.16Å; N45-T49 PolarHBondContact O-OG1 2.9Å; N45-T49 VanDerWaalsContact O-OG1 3.13Å
46V41.2Very low38.8Very low88 Ų88125.2 Ų125.253%0.53366%0.664SS.*THydrogen-bonded Turntrans-62.6-11.8-167.3-169.20000113.7S43 Y50S43-V46 WeakPolarHBondContact O-CG2 3.38Å; V46-Y50 HydrophobicContact CG1-CD2 4.02Å; V46-Y50 HydrophobicContact CG1-CE2 4.33Å; V46-Y50 WeakPolarHBondContact O-CB 3.32Å
47S40.2Very low39.4Very low90 Ų90121.8 Ų121.863%0.62965%0.645SS**THydrogen-bonded Turntrans-87.8-20.9173.6500000114.8N45N45-S47 PolarHBondContact O-N 2.63Å
48E38.2Very low39.9Very low136 Ų136118.4 Ų118.464%0.63663%0.626SS**THydrogen-bonded Turntrans-114.3-39.5-174.4-66.7-170.8137.400112.6N45 Y50 W51 M52N45-E48 PolarHBondContact O-N 3.11Å; E48-Y50 PolarHBondContact O-N 3.45Å; E48-W51 PolarHBondContact O-N 3.16Å; E48-M52 PolarHBondContact O-N 3.39Å; E48-M52 VanDerWaalsContact O-N 3.14Å
49T47.5Very low40.5Very low66 Ų66118 Ų11841%0.40562%0.615SS.*Hα-helixtrans-66.7-27.3173.151.20000112.4N45 M52 Q53N45-T49 HydrophobicContact CB-CG2 4.3Å; N45-T49 PolarHBondContact O-N 2.87Å; N45-T49 VanDerWaalsContact O-N 3.16Å; N45-T49 PolarHBondContact O-OG1 2.9Å; N45-T49 VanDerWaalsContact O-OG1 3.13Å; T49-M52 PolarHBondContact O-N 3.37Å; T49-Q53 WeakPolarHBondContact O-CB 3.44Å; T49-Q53 PolarHBondContact O-N 3.48Å
50Y40.2Very low41.1Very low148 Ų148110.1 Ų110.158%0.5859%0.59SS**Hα-helixtrans-66.5-42.1176.5-121.3-95.6000112.6V46 E48 Q53 L54V46-Y50 HydrophobicContact CG1-CD2 4.02Å; V46-Y50 HydrophobicContact CG1-CE2 4.33Å; V46-Y50 WeakPolarHBondContact O-CB 3.32Å; E48-Y50 PolarHBondContact O-N 3.45Å; Y50-Q53 PolarHBondContact O-N 3.13Å; Y50-L54 HydrophobicContact CD1-CD1 4.43Å; Y50-L54 WeakPolarHBondContact O-CB 3.48Å; Y50-L54 VanDerWaalsContact O-CG 3.29Å; Y50-L54 WeakPolarHBondContact O-CG 3.39Å; Y50-L54 PolarHBondContact O-N 3.2Å
51W36.3Very low41.7Very low180 Ų180111.2 Ų111.268%0.68258%0.584SS**Hα-helixtrans-68.9-43.2174.3-68.9114.8000111.1E48 Q53 L54 D55E48-W51 PolarHBondContact O-N 3.16Å; W51-Q53 PolarHBondContact O-N 3.07Å; W51-L54 HydrophobicContact CE3-CD1 3.85Å; W51-L54 HydrophobicContact CZ3-CD1 3.97Å; W51-L54 PolarHBondContact O-N 3Å; W51-D55 WeakPolarHBondContact O-CB 3.45Å; W51-D55 PolarHBondContact O-N 3.17Å
52M42.8Very low42.4Very low115 Ų115109 Ų10957%0.56757%0.572SS**Hα-helixtrans-60.7-30.2173.1-73.7175.857.400113.8E48 T49 K56E48-M52 PolarHBondContact O-N 3.39Å; E48-M52 VanDerWaalsContact O-N 3.14Å; T49-M52 PolarHBondContact O-N 3.37Å; M52-K56 WeakPolarHBondContact O-CG 3.42Å; M52-K56 PolarHBondContact O-N 3.22Å
53Q48.7Very low43.1Very low136 Ų136109.3 Ų109.364%0.63656%0.561SS**Hα-helixtrans-84.7-32178.4-166.7162.34.700112.1T49 Y50 W51 K56 S57T49-Q53 WeakPolarHBondContact O-CB 3.44Å; T49-Q53 PolarHBondContact O-N 3.48Å; Y50-Q53 PolarHBondContact O-N 3.13Å; W51-Q53 PolarHBondContact O-N 3.07Å; Q53-K56 PolarHBondContact O-N 3.39Å; Q53-S57 PolarHBondContact O-N 2.94Å
54L43.7Very low43.6Very low80 Ų80109.4 Ų109.442%0.41956%0.556SS.*Hα-helixtrans-63.9-42.6165.7-76.1167.7000111.1Y50 W51 S57 L58Y50-L54 HydrophobicContact CD1-CD1 4.43Å; Y50-L54 WeakPolarHBondContact O-CB 3.48Å; Y50-L54 VanDerWaalsContact O-CG 3.29Å; Y50-L54 WeakPolarHBondContact O-CG 3.39Å; Y50-L54 PolarHBondContact O-N 3.2Å; W51-L54 HydrophobicContact CE3-CD1 3.85Å; W51-L54 HydrophobicContact CZ3-CD1 3.97Å; W51-L54 PolarHBondContact O-N 3Å; L54-S57 CarbonylContact O-C 3.51Å; L54-S57 WeakPolarHBondContact O-CA 3.49Å; L54-S57 WeakPolarHBondContact O-CB 3.44Å; L54-S57 PolarHBondContact O-N 3.38Å; L54-S57 VanDerWaalsContact O-N 3.07Å; L54-S57 PolarHBondContact O-OG 3.16Å; L54-L58 PolarHBondContact O-N 3.21Å
55D45.7Very low44.2Very low87 Ų87110.5 Ų110.547%0.46555%0.547SS..Hα-helixtrans-63.3-41.3173.9-83-27.8000112W51 S57 L58 I59W51-D55 WeakPolarHBondContact O-CB 3.45Å; W51-D55 PolarHBondContact O-N 3.17Å; D55-S57 VanDerWaalsContact C-N 3.25Å; D55-S57 PolarHBondContact O-N 3.07Å; D55-L58 CarbonylContact O-C 3.51Å; D55-L58 WeakPolarHBondContact O-CA 3.27Å; D55-L58 VanDerWaalsContact O-CB 3.31Å; D55-L58 WeakPolarHBondContact O-CB 3.33Å; D55-L58 PolarHBondContact O-N 3.25Å; D55-I59 WeakPolarHBondContact O-CB 3.47Å; D55-I59 VanDerWaalsContact O-CG1 3.27Å; D55-I59 WeakPolarHBondContact O-CG1 3.39Å; D55-I59 PolarHBondContact O-N 3.31Å
56K46.5Very low44.6Very low144 Ų144109 Ų10963%0.62654%0.544SS*.Hα-helixtrans-60.2-35.4170.7-75.8174.4-179.4-175.50112.4M52 Q53 L58 A60M52-K56 WeakPolarHBondContact O-CG 3.42Å; M52-K56 PolarHBondContact O-N 3.22Å; Q53-K56 PolarHBondContact O-N 3.39Å; K56-L58 VanDerWaalsContact C-N 3.35Å; K56-A60 WeakPolarHBondContact O-CB 3.5Å; K56-A60 PolarHBondContact O-N 3.32Å
57S49.6Very low44.8Very low44 Ų44108.9 Ų108.931%0.30855%0.553SS.*Hα-helixtrans-72-27.4171.887.90000113.3Q53 L54 D55 R61Q53-S57 PolarHBondContact O-N 2.94Å; L54-S57 CarbonylContact O-C 3.51Å; L54-S57 WeakPolarHBondContact O-CA 3.49Å; L54-S57 WeakPolarHBondContact O-CB 3.44Å; L54-S57 PolarHBondContact O-N 3.38Å; L54-S57 VanDerWaalsContact O-N 3.07Å; L54-S57 PolarHBondContact O-OG 3.16Å; D55-S57 VanDerWaalsContact C-N 3.25Å; D55-S57 PolarHBondContact O-N 3.07Å; S57-R61 WeakPolarHBondContact O-CB 3.23Å; S57-R61 WeakPolarHBondContact O-CD 3.4Å; S57-R61 WeakPolarHBondContact O-CG 3.39Å; S57-R61 PolarHBondContact O-N 3.5Å; S57-R61 VanDerWaalsContact O-N 3.1Å
58L44.6Very low45.1Very low95 Ų95109.2 Ų109.250%0.49755%0.551SS.*Hα-helixtrans-73.3-43.3175.4-158.476.3000110.6L54 D55 K56 R61 Q62L54-L58 PolarHBondContact O-N 3.21Å; D55-L58 CarbonylContact O-C 3.51Å; D55-L58 WeakPolarHBondContact O-CA 3.27Å; D55-L58 VanDerWaalsContact O-CB 3.31Å; D55-L58 WeakPolarHBondContact O-CB 3.33Å; D55-L58 PolarHBondContact O-N 3.25Å; K56-L58 VanDerWaalsContact C-N 3.35Å; L58-R61 CarbonylContact O-C 3.47Å; L58-R61 WeakPolarHBondContact O-CA 3.26Å; L58-R61 WeakPolarHBondContact O-CB 3.46Å; L58-R61 PolarHBondContact O-N 3.1Å; L58-Q62 WeakPolarHBondContact O-CB 3.43Å; L58-Q62 PolarHBondContact O-N 3.29Å
59I46.6Very low45.3Very low96 Ų96106.7 Ų106.749%0.49255%0.545SS..Hα-helixtrans-64-46.6175.4-67.8162.5000110.4D55 R61 Q62 E63D55-I59 WeakPolarHBondContact O-CB 3.47Å; D55-I59 VanDerWaalsContact O-CG1 3.27Å; D55-I59 WeakPolarHBondContact O-CG1 3.39Å; D55-I59 PolarHBondContact O-N 3.31Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.05Å; I59-Q62 CarbonylContact O-C 3.47Å; I59-Q62 WeakPolarHBondContact O-CA 3.38Å; I59-Q62 WeakPolarHBondContact O-CB 3.29Å; I59-Q62 PolarHBondContact O-N 3.17Å; I59-E63 PolarHBondContact O-N 2.99Å
60A48.7Very low45.2Very low48 Ų48111.2 Ų111.240%0.39757%0.566SS.*Hα-helixtrans-59.8-37.3172.300000112.3K56 Q62 V64K56-A60 WeakPolarHBondContact O-CB 3.5Å; K56-A60 PolarHBondContact O-N 3.32Å; A60-Q62 PolarHBondContact O-N 3.01Å; A60-V64 VanDerWaalsContact O-CG2 3.29Å; A60-V64 WeakPolarHBondContact O-CG2 3.42Å; A60-V64 PolarHBondContact O-N 3.08Å; A60-V64 VanDerWaalsContact O-N 3.14Å
61R46.3Very low45.2Very low166 Ų166111.8 Ų111.863%0.62658%0.576SS**Hα-helixtrans-74-6.1171.3-75.2170.2172.7169.6-1114.2S57 L58 I59 K65S57-R61 WeakPolarHBondContact O-CB 3.23Å; S57-R61 WeakPolarHBondContact O-CD 3.4Å; S57-R61 WeakPolarHBondContact O-CG 3.39Å; S57-R61 PolarHBondContact O-N 3.5Å; S57-R61 VanDerWaalsContact O-N 3.1Å; L58-R61 CarbonylContact O-C 3.47Å; L58-R61 WeakPolarHBondContact O-CA 3.26Å; L58-R61 WeakPolarHBondContact O-CB 3.46Å; L58-R61 PolarHBondContact O-N 3.1Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.05Å; R61-K65 WeakPolarHBondContact O-CD 3.08Å; R61-K65 WeakPolarHBondContact O-CG 3.39Å
62Q43.1Very low45.4Very low124 Ų124112.6 Ų112.658%0.57959%0.585SS**Hα-helixtrans-103.4-28.9177.9-166.3156.3-16.600111.3L58 I59 A60 K65 S66L58-Q62 WeakPolarHBondContact O-CB 3.43Å; L58-Q62 PolarHBondContact O-N 3.29Å; I59-Q62 CarbonylContact O-C 3.47Å; I59-Q62 WeakPolarHBondContact O-CA 3.38Å; I59-Q62 WeakPolarHBondContact O-CB 3.29Å; I59-Q62 PolarHBondContact O-N 3.17Å; A60-Q62 PolarHBondContact O-N 3.01Å; Q62-K65 CarbonylContact O-C 3.35Å; Q62-K65 WeakPolarHBondContact O-CA 3.48Å; Q62-K65 WeakPolarHBondContact O-CB 3.06Å; Q62-K65 PolarHBondContact O-N 3.03Å; Q62-S66 PolarHBondContact O-N 2.77Å
63E47.9Very low45.6Very low130 Ų130110.6 Ų110.661%0.60759%0.586SS**Hα-helixtrans-67.2-39.7163.3-68.3173.8156.700110.9I59 K65 S66 A67I59-E63 PolarHBondContact O-N 2.99Å; E63-K65 PolarHBondContact O-N 2.78Å; E63-S66 WeakPolarHBondContact CA-OG 3.48Å; E63-S66 PolarHBondContact O-N 3.14Å; E63-S66 PolarHBondContact O-OG 3.5Å; E63-A67 PolarHBondContact O-N 3.3Å
64V46.6Very low45.2Very low110 Ų110109.4 Ų109.467%0.66758%0.581SS**Hα-helixtrans-63.5-5.5166.1173.40000112.8A60A60-V64 VanDerWaalsContact O-CG2 3.29Å; A60-V64 WeakPolarHBondContact O-CG2 3.42Å; A60-V64 PolarHBondContact O-N 3.08Å; A60-V64 VanDerWaalsContact O-N 3.14Å
65K46.6Very low45Very low134 Ų134113.1 Ų113.158%0.58359%0.594SS**Hα-helixtrans-114.2-20.3171.5-73.4174.9-179.3175.70114.8R61 Q62 E63 A67 V68 T69R61-K65 WeakPolarHBondContact O-CD 3.08Å; R61-K65 WeakPolarHBondContact O-CG 3.39Å; Q62-K65 CarbonylContact O-C 3.35Å; Q62-K65 WeakPolarHBondContact O-CA 3.48Å; Q62-K65 WeakPolarHBondContact O-CB 3.06Å; Q62-K65 PolarHBondContact O-N 3.03Å; E63-K65 PolarHBondContact O-N 2.78Å; K65-A67 PolarHBondContact O-N 2.82Å; K65-V68 CarbonylContact O-C 3.55Å; K65-V68 VanDerWaalsContact O-CA 3.28Å; K65-V68 WeakPolarHBondContact O-CA 3.4Å; K65-V68 WeakPolarHBondContact O-CB 3.41Å; K65-V68 PolarHBondContact O-N 2.77Å; K65-T69 PolarHBondContact O-N 3.49Å; K65-T69 PolarHBondContact O-OG1 3.01Å
66S45.1Very low44.8Very low71 Ų71115.5 Ų115.550%0.49761%0.607SS.*Hα-helixtrans-66.8-31.1167.452.80000110.5Q62 E63 V68 T69 D70Q62-S66 PolarHBondContact O-N 2.77Å; E63-S66 WeakPolarHBondContact CA-OG 3.48Å; E63-S66 PolarHBondContact O-N 3.14Å; E63-S66 PolarHBondContact O-OG 3.5Å; S66-V68 PolarHBondContact O-N 3.14Å; S66-T69 PolarHBondContact O-N 3.33Å; S66-D70 PolarHBondContact O-N 3.45Å
67A45.8Very low44.5Very low86 Ų86113.7 Ų113.771%0.71161%0.607SS**THydrogen-bonded Turntrans-61.1-1.1162.300000114.9E63 K65E63-A67 PolarHBondContact O-N 3.3Å; K65-A67 PolarHBondContact O-N 2.82Å
68V47.4Very low43.9Very low97 Ų97120.1 Ų120.159%0.58863%0.63SS**THydrogen-bonded Turntrans-127.8-6.5179.9-174.10000111.7K65 S66K65-V68 CarbonylContact O-C 3.55Å; K65-V68 VanDerWaalsContact O-CA 3.28Å; K65-V68 WeakPolarHBondContact O-CA 3.4Å; K65-V68 WeakPolarHBondContact O-CB 3.41Å; K65-V68 PolarHBondContact O-N 2.77Å; S66-V68 PolarHBondContact O-N 3.14Å
69T41.2Very low43.6Very low83 Ų83121.9 Ų121.951%0.50965%0.65SS.*  trans-121.720.6-178.964.10000114.5K65 S66 M71K65-T69 PolarHBondContact O-N 3.49Å; K65-T69 PolarHBondContact O-OG1 3.01Å; S66-T69 PolarHBondContact O-N 3.33Å; T69-M71 CarbonylContact C-O 3.33Å; T69-M71 CarbonylContact O-C 3.36Å; T69-M71 PolarHBondContact O-N 3.11Å
70D45.3Very low43.1Very low161 Ų161124.3 Ų124.386%0.86166%0.663SS**SBendtrans-56.3-31.6152.1-15713.3000109.6S66 K72S66-D70 PolarHBondContact O-N 3.45Å; D70-K72 PolarHBondContact O-N 3.09Å; D70-K72 VanDerWaalsContact O-N 3.1Å
71M40.6Very low42.4Very low160 Ų160129.6 Ų129.679%0.78869%0.685SS**THydrogen-bonded Turntrans-61.4109.5156.5-66.1178.968.200111.8T69T69-M71 CarbonylContact C-O 3.33Å; T69-M71 CarbonylContact O-C 3.36Å; T69-M71 PolarHBondContact O-N 3.11Å
72K41.6Very low41.7Very low197 Ų197131.8 Ų131.886%0.85770%0.695SS**THydrogen-bonded Turntrans113.4-0.9149.3-154.5165.5-174.7170.40118.4D70D70-K72 PolarHBondContact O-N 3.09Å; D70-K72 VanDerWaalsContact O-N 3.1Å
73A46Very low41.2Very low73 Ų73136.7 Ų136.760%0.60371%0.708SS**  trans-916.6-169.800000118.1Y270A73-Y270 WeakPolarHBondContact O-CE2 3.32Å; A73-Y270 PolarHBondContact O-OH 3.33Å
74Q39.6Very low40.7Very low112 Ų112136 Ų13652%0.52372%0.715SS.*SBendtrans-94.720.3179.1-143.4-17124.800114.5S269 Y270Q74-S269 PolarHBondContact NE2-O 3.27Å; Q74-Y270 HydrophobicContact CG-CD2 3.88Å; Q74-Y270 HydrophobicContact CG-CE2 4.19Å; Q74-Y270 HydrophobicContact CG-CG 4.19Å; Q74-Y270 WeakPolarHBondContact O-CD1 3.33Å; Q74-Y270 WeakPolarHBondContact O-CE1 3.44Å
75K41.5Very low40.2Very low158 Ų158137.9 Ų137.969%0.68773%0.727SS**SBendtrans-152.1137.8174.8-77.6-171.3-178173.60108.5Y270K75-Y270 PolarHBondContact N-OH 3.17Å; K75-Y270 VanDerWaalsContact N-OH 3.16Å
76D39.9Very low39.5Very low137 Ų137136 Ų13673%0.73373%0.731SS**  cis-139.181-7.2-79.8-51.8000108.1F78D76-F78 PolarHBondContact O-N 3.1Å
77V40.5Very low39.1Very low105 Ų105141.7 Ų141.764%0.63675%0.746SS**  trans-79.3101.5-170.71650000112.4Y270V77-Y270 WeakPolarHBondContact CG2-OH 3.49Å
78F38Very low38.3Very low179 Ų179143.9 Ų143.979%0.78575%0.751SS**  trans49.790.2149.6-64.9-97000119D76D76-F78 PolarHBondContact O-N 3.1Å
79S38Very low37.8Very low133 Ų133148.8 Ų148.893%0.9377%0.765SS**  trans-111.480.5152.846.90000110.9
80L35.9Very low37.6Very low146 Ų146154.2 Ų154.276%0.76478%0.781SS**  trans-116.8120175.8-121.7176.6000110.2
81N34.7Very low37.2Very low159 Ų159152.4 Ų152.485%0.8578%0.776SS**  trans-157160.7173.9-109.5-48000112
82Y31.3Very low37Very low212 Ų212152 Ų15283%0.83178%0.777SS**  trans79.580.5168-115.8-86000121.3
83R32.3Very low36.7Very low228 Ų228148.2 Ų148.286%0.8678%0.776SS**  34150.9129.8-91.7-170.8163.1172.9-3.6124
84P37.2Very low36.3Very low115 Ų115150 Ų15075%0.74778%0.781SS**  trans-104.3173.6-174.742.6-36.9000115.2
85T35.8Very low36Very low149 Ų149155.5 Ų155.591%0.91480%0.797SS**  trans-145.5160.6158.80.20000113.5
86S31.3Very low35.8Very low96 Ų96158.3 Ų158.367%0.67181%0.805SS**  trans-88.5155-168.551.30000115.2
87K37.5Very low35.7Very low190 Ų190156.4 Ų156.483%0.82680%0.802SS**  -178.1152.7114.8-96.1159.4-174.2176.80113.1
88T29.9Very low35.4Very low131 Ų131162.5 Ų162.580%0.80481%0.814SS**  trans-93141.2177.441.20000111.9
89F35.8Very low35.4Very low200 Ų200163.1 Ų163.188%0.87782%0.816SS**  trans-135.8140.7160.1-81.6-79000111
90K36.1Very low35.2Very low198 Ų198161.3 Ų161.386%0.86180%0.803SS**  trans-108.5131.4175.6-58.9171.7179.8175.10108.9
91T38.7Very low35.2Very low122 Ų122161.8 Ų161.875%0.74881%0.806SS**  trans176.2148.1154.439.10000108.1
92N35.9Very low35.1Very low152 Ų152163.7 Ų163.781%0.81381%0.807SS**  cis-160160.7-18.6-100.7-16.3000106.9
93S35Very low35.4Very low118 Ų118159.9 Ų159.983%0.82581%0.805SS**  trans-127.8135.4172.2178.60000111.4
94P37.5Very low35.4Very low111 Ų111158.6 Ų158.672%0.72180%0.802SS**  trans-137.4119.9149.333.2-16.5000114.5
95R32.4Very low35.4Very low226 Ų226159.5 Ų159.585%0.85381%0.809SS**  16.9135127.4-50.3168-176.9165.3-0.5118.5
96Y37.8Very low35.3Very low218 Ų218158.7 Ų158.786%0.85580%0.8SS**  -169.2108.5123.5-99-67000111.6
97S38.2Very low35.8Very low96 Ų96163.8 Ų163.867%0.67181%0.81SS**  54.2120.4117.974.20000118.5
98R35.1Very low36Very low234 Ų234163 Ų16388%0.88381%0.807SS**  82.1105.453.7-174.3-166.5-169.1-171.96.3114.2
99K37.6Very low36.3Very low192 Ų192165.3 Ų165.384%0.83581%0.807SS**  trans154.2130154.4-86.5155.6-176.5-177.20107.1
100S33.3Very low36.3Very low94 Ų94161.1 Ų161.166%0.65780%0.803SS**  cis102.2111.725.172.20000114.1
101L35.2Very low36Very low157 Ų157158 Ų15882%0.82280%0.801SS**  -172157.9122.2-124.576000112.5
102K33.5Very low35.7Very low199 Ų199161.6 Ų161.687%0.86580%0.802SS**  trans-97.1145.7156.7-73.8179.1174.6179.80108.1
103T37.6Very low35.6Very low131 Ų131163.5 Ų163.580%0.80480%0.803SS**  trans-142.9137.1160.6-34.50000111.4
104Y31.7Very low35.7Very low201 Ų201165.3 Ų165.379%0.78880%0.799SS**  trans-74.9158.5173.3-111.1-112.1000111.8
105C38.3Very low35.6Very low134 Ų134163.9 Ų163.991%0.90579%0.791SS**  trans-156132.1148-1300000112
106N33.8Very low35.6Very low132 Ų132161.4 Ų161.471%0.70679%0.789SS**  trans-112.5136-176.8-89.6-35.8000111.8
107K41.4Very low35.3Very low203 Ų203158.7 Ų158.788%0.88379%0.79SS**  trans-145.2108.6152.8-75.7-176.2176.71780106.2
108K40.4Very low35.1Very low175 Ų175159.9 Ų159.976%0.76179%0.793SS**  67.314160-76.7-156.1171.1-171.20114.7
109H37.7Very low35.1Very low178 Ų178155.4 Ų155.482%0.82479%0.792SS**  trans75.1137.8179.6-48.7-80.6000114.3
110S34.1Very low34.7Very low112 Ų112153 Ų15378%0.78379%0.788SS**  cis-146149.1-6-160.50000112.1
111T31.1Very low34.8Very low134 Ų134153.3 Ų153.382%0.82279%0.79SS**  trans-89.4147164.737.40000111
112Y31.9Very low34.7Very low196 Ų196152.3 Ų152.377%0.76979%0.786SS**  trans-142.2143.7158.2-162.4-108000109.2Q114Y112-Q114 HydrophobicContact CE1-CG 3.88Å
113K34.6Very low34.7Very low193 Ų193149.9 Ų149.984%0.83978%0.782SS**  trans-122.8131.2176.5-92-166.6173.4-167.90108.9
114Q36.6Very low34.5Very low155 Ų155149.1 Ų149.172%0.72478%0.782SS**  trans-130.5117.9146-74.2174.8-70.200104.9Y112Y112-Q114 HydrophobicContact CE1-CG 3.88Å
115S35.2Very low34.5Very low81 Ų81147.2 Ų147.257%0.56679%0.785SS**  70.592.657.979.20000111.8
116E31.6Very low34.2Very low174 Ų174146 Ų14681%0.81378%0.778SS**  trans45.9118131.7-64.1155.5132.800118.3
117N33.3Very low34Very low162 Ų162144.5 Ų144.587%0.86678%0.778SS**  -155.8142.8102-96.6-37.2000112.4
118T32.8Very low33.5Very low120 Ų120140.5 Ų140.574%0.73677%0.771SS**  trans-72.8140171.346.20000111.7
119T34.6Very low33.2Very low140 Ų140140 Ų14086%0.85977%0.774SS**  trans-151.2120135-52.10000108.4
120D30.2Very low32.7Very low143 Ų143134.4 Ų134.477%0.76577%0.765SS**  trans-71.8146.5171.2-58.6-83.5000111.7
121S35.4Very low32.6Very low99 Ų99136.8 Ų136.869%0.69277%0.767SS**  170.4150.511751.10000114.4
122N33.4Very low32.7Very low136 Ų136134.1 Ų134.173%0.72775%0.754SS**  trans77.3115.8150.4-59-24000121.5
123N32.2Very low32.9Very low148 Ų148133 Ų13379%0.79176%0.762SS**  trans82.977.3132.7-57.8-7.5000121.3
124S34Very low33.1Very low115 Ų115130.1 Ų130.180%0.80476%0.755SS**  -168.9107.7123.215.70000109
125L32.9Very low33.4Very low161 Ų161131.5 Ų131.584%0.84376%0.759SS**  60.1101.385.4-74.3171.6000114.6
126S30.2Very low34Very low109 Ų109133.4 Ų133.476%0.76277%0.772SS**  trans44.8137.9135.3-51.10000121.3
127S30.2Very low34.7Very low100 Ų100126.7 Ų126.770%0.69975%0.75SS**  cis-169.8162.1-5.744.60000110.8
128T31.7Very low35.2Very low120 Ų120123.7 Ų123.774%0.73673%0.731SS**  trans24.998.4146-41.50000116.8
129I32.8Very low36.2Very low163 Ų163123.6 Ų123.684%0.83673%0.729SS**  56.1118.887.8-58.5168.4000114
130G28.8Very low37.1Very low61 Ų61121 Ų12163%0.62971%0.713SS**  trans102.6120.413600000119.8
131I30.6Very low38Very low162 Ų162119.7 Ų119.783%0.83170%0.703SS**  trans69.8101.4137.8-56.1177.1000118.3
132S33.3Very low39.4Very low78 Ų78120.3 Ų120.355%0.54570%0.698SS.*  trans31.8129.9147.168.30000122.1
133N37.4Very low40.7Very low174 Ų174116.4 Ų116.493%0.9369%0.685SS**  trans-139.287.7131.8-103.2-45.6000111.2
134N37.4Very low41.8Very low132 Ų132113.6 Ų113.671%0.70667%0.669SS**  trans-77126.9-179.3-68.3-46.1000111.3
135K43.2Very low43.1Very low183 Ų183116.5 Ų116.580%0.79666%0.663SS**SBendtrans177.4-39140.4-97.2150.4-172.2177.70113.3G137 H138K135-G137 VanDerWaalsContact C-N 3.32Å; K135-G137 PolarHBondContact O-N 2.92Å; K135-H138 PolarHBondContact O-N 3.36Å
136S47.6Very low44.7Very low121 Ų121112.5 Ų112.585%0.84665%0.645SS**THydrogen-bonded Turntrans-61-31.4-170.7-167.10000114.9H138S136-H138 PolarHBondContact O-N 2.68Å
137G46.3Very low46.1Very low34 Ų34113 Ų11335%0.35164%0.635SS.*THydrogen-bonded Turntrans-77.6-7.9-17500000117K135 V139 T140 Q141K135-G137 VanDerWaalsContact C-N 3.32Å; K135-G137 PolarHBondContact O-N 2.92Å; G137-V139 PolarHBondContact O-N 3.06Å; G137-T140 PolarHBondContact O-N 2.77Å; G137-Q141 WeakPolarHBondContact O-CB 3.47Å; G137-Q141 VanDerWaalsContact O-CG 3.32Å; G137-Q141 WeakPolarHBondContact O-CG 3.31Å; G137-Q141 PolarHBondContact O-N 3.36Å
138H43.3Very low47.5Very low99 Ų99114.4 Ų114.446%0.45863%0.631SS.*Hα-helixtrans-65.4-37.9-166.5-96.6-88.4000114.8K135 S136 L142K135-H138 PolarHBondContact O-N 3.36Å; S136-H138 PolarHBondContact O-N 2.68Å; H138-L142 WeakPolarHBondContact O-CB 3.49Å; H138-L142 PolarHBondContact O-N 3.24Å
139V54.4Low48.9Very low117 Ų117113.7 Ų113.771%0.70962%0.621SS**Hα-helixtrans-71.5-44.7-179.9-178.40000110.5G137 L142 A143G137-V139 PolarHBondContact O-N 3.06Å; V139-L142 WeakPolarHBondContact O-CB 3.27Å; V139-L142 PolarHBondContact O-N 3.07Å; V139-L142 VanDerWaalsContact O-N 3.16Å; V139-A143 PolarHBondContact O-N 2.77Å
140T54.6Low50.1Low85 Ų85111.4 Ų111.452%0.52161%0.61SS.*Hα-helixtrans-65.9-40.9179-24.90000111.9G137 L142 A143 N144G137-T140 PolarHBondContact O-N 2.77Å; T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 3.24Å; T140-A143 PolarHBondContact O-N 2.82Å; T140-N144 VanDerWaalsContact O-CG 3.23Å; T140-N144 PolarHBondContact O-N 3.11Å; T140-N144 VanDerWaalsContact O-N 3.07Å; T140-N144 PolarHBondContact O-OD1 3.03Å; T140-N144 VanDerWaalsContact O-OD1 3.07Å
141Q49Very low51.5Low116 Ų116112.3 Ų112.354%0.54260%0.6SS.*Hα-helixtrans-65-29173.5-73.9-178.710.100113.1G137 R145G137-Q141 WeakPolarHBondContact O-CB 3.47Å; G137-Q141 VanDerWaalsContact O-CG 3.32Å; G137-Q141 WeakPolarHBondContact O-CG 3.31Å; G137-Q141 PolarHBondContact O-N 3.36Å; Q141-R145 WeakPolarHBondContact O-CB 3.29Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.09Å
142L63.5Low52.6Low112 Ų112110 Ų11059%0.58659%0.586SS**Hα-helixtrans-75.1-45.7174.7-175.962.3000111.3H138 V139 T140 N144 R145 V146H138-L142 WeakPolarHBondContact O-CB 3.49Å; H138-L142 PolarHBondContact O-N 3.24Å; V139-L142 WeakPolarHBondContact O-CB 3.27Å; V139-L142 PolarHBondContact O-N 3.07Å; V139-L142 VanDerWaalsContact O-N 3.16Å; T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 3.24Å; L142-N144 PolarHBondContact O-N 2.85Å; L142-R145 PolarHBondContact O-N 3.43Å; L142-R145 VanDerWaalsContact O-N 3.16Å; L142-V146 WeakPolarHBondContact O-CG2 3.4Å; L142-V146 PolarHBondContact O-N 2.8Å
143A61.5Low53.5Low55 Ų55111.6 Ų111.646%0.45559%0.588SS.*Hα-helixtrans-55.4-52.9176.700000111.6V139 T140 R145 V146 E147V139-A143 PolarHBondContact O-N 2.77Å; T140-A143 PolarHBondContact O-N 2.82Å; A143-R145 PolarHBondContact O-N 3.04Å; A143-V146 PolarHBondContact O-N 2.92Å; A143-V146 VanDerWaalsContact O-N 3.08Å; A143-E147 PolarHBondContact O-N 2.82Å
144N54.2Low54.2Low88 Ų88106.1 Ų106.147%0.47156%0.564SS.*Hα-helixtrans-62.1-28.6179.6-62.215.2000112.7T140 L142 H148T140-N144 VanDerWaalsContact O-CG 3.23Å; T140-N144 PolarHBondContact O-N 3.11Å; T140-N144 VanDerWaalsContact O-N 3.07Å; T140-N144 PolarHBondContact O-OD1 3.03Å; T140-N144 VanDerWaalsContact O-OD1 3.07Å; L142-N144 PolarHBondContact O-N 2.85Å; N144-H148 PolarHBondContact O-N 3.12Å
145R61.9Low54.9Low177 Ų177105 Ų10567%0.66856%0.556SS**Hα-helixtrans-75.1-36.5174.6-88.6178.7156.9156.9-3.2113.1Q141 L142 A143 L149Q141-R145 WeakPolarHBondContact O-CB 3.29Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.09Å; L142-R145 PolarHBondContact O-N 3.43Å; L142-R145 VanDerWaalsContact O-N 3.16Å; A143-R145 PolarHBondContact O-N 3.04Å; R145-L149 WeakPolarHBondContact O-CG 3.41Å; R145-L149 PolarHBondContact O-N 3.41Å
146V66.9Low55.2Low77 Ų77100.7 Ų100.747%0.46754%0.542SS..Hα-helixtrans-68.9-42.6175.9171.40000110.5L142 A143 H148 L149 L150L142-V146 WeakPolarHBondContact O-CG2 3.4Å; L142-V146 PolarHBondContact O-N 2.8Å; A143-V146 PolarHBondContact O-N 2.92Å; A143-V146 VanDerWaalsContact O-N 3.08Å; V146-H148 PolarHBondContact O-N 3.16Å; V146-L149 PolarHBondContact O-N 2.96Å; V146-L150 HydrophobicContact CG1-CD1 4.07Å; V146-L150 PolarHBondContact O-N 2.89Å; V146-L150 VanDerWaalsContact O-N 3.1Å
147E60.5Low55.4Low120 Ų12098.4 Ų98.456%0.56152%0.523SS*.Hα-helixtrans-59.3-46.2175.5-171.6171.6-156.100111.8A143 L149 L150 I151A143-E147 PolarHBondContact O-N 2.82Å; E147-L149 VanDerWaalsContact C-N 3.31Å; E147-L149 PolarHBondContact O-N 3.03Å; E147-L150 PolarHBondContact O-N 3.16Å; E147-I151 HydrophobicContact CG-CD1 4.12Å; E147-I151 WeakPolarHBondContact O-CG1 3.47Å; E147-I151 PolarHBondContact O-N 3.1Å
148H57.8Low55.4Low129 Ų129102 Ų10260%0.59753%0.534SS*.Hα-helixtrans-60.2-34.9176.3-104.9-72.9000114.4N144 V146 Q152N144-H148 PolarHBondContact O-N 3.12Å; V146-H148 PolarHBondContact O-N 3.16Å; H148-Q152 PolarHBondContact O-N 3.3Å
149L61.9Low55.6Low104 Ų104100.8 Ų100.855%0.54554%0.536SS..Hα-helixtrans-73.1-41.6177.6-74.3166.8000111.8R145 V146 E147 I151 Q152 D153R145-L149 WeakPolarHBondContact O-CG 3.41Å; R145-L149 PolarHBondContact O-N 3.41Å; V146-L149 PolarHBondContact O-N 2.96Å; E147-L149 VanDerWaalsContact C-N 3.31Å; E147-L149 PolarHBondContact O-N 3.03Å; L149-I151 VanDerWaalsContact C-N 3.26Å; L149-I151 PolarHBondContact O-N 3.13Å; L149-Q152 PolarHBondContact O-N 3.03Å; L149-Q152 VanDerWaalsContact O-N 3.09Å; L149-D153 PolarHBondContact O-N 2.93Å
150L58.3Low55.2Low115 Ų115101.8 Ų101.860%0.60253%0.533SS*.Hα-helixtrans-60.2-35.6173.7-81.1160000112.4V146 E147 S154V146-L150 HydrophobicContact CG1-CD1 4.07Å; V146-L150 PolarHBondContact O-N 2.89Å; V146-L150 VanDerWaalsContact O-N 3.1Å; E147-L150 PolarHBondContact O-N 3.16Å; L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.15Å; L150-S154 VanDerWaalsContact O-N 3.13Å; L150-S154 PolarHBondContact O-OG 3.47Å
151I58.6Low54.8Low81 Ų81101.7 Ų101.742%0.41553%0.529SS..Hα-helixtrans-67.3-38.7173.7-67.6165.2000111.3E147 L149 S154 I155E147-I151 HydrophobicContact CG-CD1 4.12Å; E147-I151 WeakPolarHBondContact O-CG1 3.47Å; E147-I151 PolarHBondContact O-N 3.1Å; L149-I151 VanDerWaalsContact C-N 3.26Å; L149-I151 PolarHBondContact O-N 3.13Å; I151-S154 WeakPolarHBondContact CA-OG 3.36Å; I151-S154 PolarHBondContact O-OG 2.73Å; I151-S154 VanDerWaalsContact O-OG 3.1Å; I151-I155 HydrophobicContact CG2-CD1 3.84Å; I151-I155 WeakPolarHBondContact O-CD1 3.37Å; I151-I155 VanDerWaalsContact O-CG1 3.23Å; I151-I155 WeakPolarHBondContact O-CG1 3.17Å; I151-I155 PolarHBondContact O-N 2.75Å; I151-I155 VanDerWaalsContact O-N 3.17Å
152Q53.7Low54.6Low114 Ų114105.8 Ų105.853%0.53354%0.54SS..Hα-helixtrans-69-42.9177-74.4-174.7-29.200113.1H148 L149 I155 N156H148-Q152 PolarHBondContact O-N 3.3Å; L149-Q152 PolarHBondContact O-N 3.03Å; L149-Q152 VanDerWaalsContact O-N 3.09Å; Q152-I155 PolarHBondContact O-N 3.24Å; Q152-N156 PolarHBondContact O-N 3.2Å; Q152-N156 VanDerWaalsContact O-N 3.1Å; Q152-N156 PolarHBondContact O-ND2 3.4Å; Q152-N156 VanDerWaalsContact O-ND2 3.11Å
153D50.7Low53.6Low110 Ų110108.9 Ų108.959%0.58855%0.551SS**Hα-helixtrans-67.8-36.9179.1-78.9-18.6000112.2L149 T157L149-D153 PolarHBondContact O-N 2.93Å; D153-T157 WeakPolarHBondContact O-CB 3.31Å; D153-T157 WeakPolarHBondContact O-CG2 3.47Å; D153-T157 PolarHBondContact O-N 3.04Å; D153-T157 PolarHBondContact O-OG1 3.31Å
154S53.4Low52.9Low60 Ų60112.9 Ų112.942%0.4256%0.564SS.*Hα-helixtrans-68.9-36.9176.151.20000113L150 I151 T157 L158L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.15Å; L150-S154 VanDerWaalsContact O-N 3.13Å; L150-S154 PolarHBondContact O-OG 3.47Å; I151-S154 WeakPolarHBondContact CA-OG 3.36Å; I151-S154 PolarHBondContact O-OG 2.73Å; I151-S154 VanDerWaalsContact O-OG 3.1Å; S154-T157 WeakPolarHBondContact CA-OG1 3.33Å; S154-T157 PolarHBondContact O-OG1 3.01Å; S154-L158 VanDerWaalsContact O-CB 3.29Å; S154-L158 WeakPolarHBondContact O-CB 3.4Å; S154-L158 PolarHBondContact O-N 2.92Å
155I52.5Low52.4Low107 Ų107114.4 Ų114.455%0.54957%0.569SS.*Hα-helixtrans-65.4-49.1174-69166.3000110.9I151 Q152 T157 L158 S159I151-I155 HydrophobicContact CG2-CD1 3.84Å; I151-I155 WeakPolarHBondContact O-CD1 3.37Å; I151-I155 VanDerWaalsContact O-CG1 3.23Å; I151-I155 WeakPolarHBondContact O-CG1 3.17Å; I151-I155 PolarHBondContact O-N 2.75Å; I151-I155 VanDerWaalsContact O-N 3.17Å; Q152-I155 PolarHBondContact O-N 3.24Å; I155-T157 VanDerWaalsContact C-N 3.35Å; I155-T157 PolarHBondContact O-N 3.44Å; I155-L158 PolarHBondContact O-N 3.33Å; I155-S159 PolarHBondContact O-N 2.86Å; I155-S159 VanDerWaalsContact O-N 3.16Å; I155-S159 PolarHBondContact O-OG 2.82Å
156N48.8Very low51.2Low94 Ų94113.8 Ų113.850%0.50358%0.578SS.*Hα-helixtrans-63.7-37.2-178.8-74.9-40.9000112.9Q152 S159 Q160Q152-N156 PolarHBondContact O-N 3.2Å; Q152-N156 VanDerWaalsContact O-N 3.1Å; Q152-N156 PolarHBondContact O-ND2 3.4Å; Q152-N156 VanDerWaalsContact O-ND2 3.11Å; N156-S159 PolarHBondContact O-OG 2.92Å; N156-Q160 PolarHBondContact O-N 2.76Å
157T52.2Low49.9Very low73 Ų73115.3 Ų115.345%0.44859%0.587SS.*Hα-helixtrans-74.8-34.217749.70000112.8D153 S154 I155 Q160 N161D153-T157 WeakPolarHBondContact O-CB 3.31Å; D153-T157 WeakPolarHBondContact O-CG2 3.47Å; D153-T157 PolarHBondContact O-N 3.04Å; D153-T157 PolarHBondContact O-OG1 3.31Å; S154-T157 WeakPolarHBondContact CA-OG1 3.33Å; S154-T157 PolarHBondContact O-OG1 3.01Å; I155-T157 VanDerWaalsContact C-N 3.35Å; I155-T157 PolarHBondContact O-N 3.44Å; T157-Q160 PolarHBondContact O-N 3.47Å; T157-N161 PolarHBondContact O-N 3.3Å; T157-N161 VanDerWaalsContact O-N 3.17Å; T157-N161 PolarHBondContact O-ND2 2.86Å
158L46Very low48.5Very low110 Ų110119.3 Ų119.358%0.57660%0.598SS**Hα-helixtrans-69-34.6177.4-168.165.4000112.3S154 I155S154-L158 VanDerWaalsContact O-CB 3.29Å; S154-L158 WeakPolarHBondContact O-CB 3.4Å; S154-L158 PolarHBondContact O-N 2.92Å; I155-L158 PolarHBondContact O-N 3.33Å
159S46.8Very low47.4Very low72 Ų72122.1 Ų122.150%0.50361%0.612SS.*Hα-helixtrans-63.6-37.1171.841.10000113.3I155 N156I155-S159 PolarHBondContact O-N 2.86Å; I155-S159 VanDerWaalsContact O-N 3.16Å; I155-S159 PolarHBondContact O-OG 2.82Å; N156-S159 PolarHBondContact O-OG 2.92Å
160Q46.8Very low46.3Very low138 Ų138123.1 Ų123.165%0.64562%0.622SS**Hα-helixtrans-79.8-25.4-177.5-71.3-178.6-8.400114N156 T157N156-Q160 PolarHBondContact O-N 2.76Å; T157-Q160 PolarHBondContact O-N 3.47Å
161N45.3Very low45.3Very low83 Ų83124.6 Ų124.644%0.44463%0.626SS.*Hα-helixtrans-83.8-21.1-178.7-77.9-80.4000113.8T157 E163 L164T157-N161 PolarHBondContact O-N 3.3Å; T157-N161 VanDerWaalsContact O-N 3.17Å; T157-N161 PolarHBondContact O-ND2 2.86Å; N161-E163 PolarHBondContact O-N 2.81Å; N161-L164 PolarHBondContact O-N 2.94Å
162R45.1Very low44.4Very low202 Ų202128.2 Ų128.276%0.76264%0.638SS**THydrogen-bonded Turntrans-70.9-24.2-178.8-86.6-172.8168-173.7-3.1114.8L164R162-L164 VanDerWaalsContact C-N 3.34Å
163E43.7Very low43.6Very low177 Ų177127 Ų12783%0.82764%0.64SS**THydrogen-bonded Turntrans-80.2-11.3176.5-74.3-174.1121.500113.8N161N161-E163 PolarHBondContact O-N 2.81Å
164L45.3Very low42.9Very low139 Ų139127.6 Ų127.673%0.72864%0.644SS**SBendtrans-103.7-3.9-164.6-68.5175000116.1N161 R162N161-L164 PolarHBondContact O-N 2.94Å; R162-L164 VanDerWaalsContact C-N 3.34Å
165Q43.5Very low42.2Very low121 Ų121131.7 Ų131.757%0.56565%0.654SS**  trans-108.3-3.3-166.3-69.1-172.8-13.600116.4V167 C502Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.19Å; Q165-C502 PolarHBondContact NE2-SG 3.17Å; Q165-C502 PolarHBondContact OE1-SG 3.29Å; Q165-C502 VanDerWaalsContact OE1-SG 3.34Å
166L38.4Very low41.6Very low164 Ų164132.9 Ų132.986%0.85966%0.661SS**SBendtrans-86.214.8-164.5-131.4146.5000115.2
167V38.1Very low41Very low109 Ų109135.9 Ų135.966%0.66167%0.672SS**SBendtrans-144.3131.7179.9-142.70000113.1Q165Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.19Å
168Y31Very low40.1Very low203 Ų203139.8 Ų139.880%0.79669%0.69SS**  trans69.288.5171.4-57.4-69.2000119.1
169H35.9Very low39.5Very low189 Ų189142.6 Ų142.688%0.87570%0.7SS**  trans-158.9119.7134.5-110.3-61.8000112.5
170T37.5Very low39Very low125 Ų125146 Ų14677%0.76771%0.712SS**  trans-163.9110.4152.5-8.20000109
171E38.7Very low38.3Very low146 Ų146146.4 Ų146.468%0.68272%0.718SS**  trans56.6147.7134-67.6-175.1-160.300121.8
172K39.7Very low37.7Very low156 Ų156148.2 Ų148.268%0.67874%0.737SS**  cis-147.6154.617.9-129.9162.9-174.299.30110.8
173P36.7Very low37.2Very low88 Ų88143.2 Ų143.257%0.57173%0.733SS**  trans-104.5168.3179.539.9-34.1000113.6
174D35.9Very low36.7Very low123 Ų123140.1 Ų140.166%0.65873%0.726SS**  trans-168.7165.9149.1-116-30000115.2
175F38.1Very low36.4Very low147 Ų147142.5 Ų142.565%0.64573%0.73SS**  trans75.7104.1167.7-73.3-75000124Q513F175-Q513 PolarHBondContact O-NE2 3.33Å; F175-Q513 PolarHBondContact O-OE1 3.13Å
176L39.2Very low36.3Very low132 Ų132146.2 Ų146.269%0.69175%0.745SS**  trans55.3125.6140-66.6170.1000119.6Q513L176-Q513 PolarHBondContact O-NE2 2.82Å
177E36.3Very low36.1Very low157 Ų157145.7 Ų145.773%0.73474%0.743SS**  -176.6178.160.3-167.6165.7-136.900110.4
178N34.2Very low36Very low155 Ų155144.6 Ų144.683%0.82974%0.738SS**  trans69.975.3173-62.2-60.6000116.1
179H34.2Very low36.3Very low168 Ų168142.1 Ų142.178%0.77874%0.739SS**  trans-114.9150.5171.8-146.6-81.2000109.6
180L34.5Very low36.2Very low145 Ų145137.5 Ų137.576%0.75973%0.728SS**  trans70.5157.5173.6-59.1121000118
181L32.8Very low36Very low146 Ų146141 Ų14176%0.76473%0.732SS**  cis-175.1122.9-46.5-123.9157000110.1
182S33.6Very low35.5Very low120 Ų120141.3 Ų141.384%0.83974%0.737SS**  trans172.6152.8158.1-88.90000111.8
183S34.1Very low35.2Very low97 Ų97138.7 Ų138.768%0.67874%0.736SS**  cis-160.7142.5-23.4-175.70000110.7
184T32.6Very low34.8Very low113 Ų113136.6 Ų136.669%0.69372%0.724SS**  trans13.8124160.763.30000121.5
185K38.9Very low34.7Very low188 Ų188135 Ų13582%0.81772%0.72SS**  177.5137.3103.1-95.9162.5-175.21690115.1
186K40.8Very low34.5Very low199 Ų199132 Ų13287%0.86571%0.713SS**  trans59.189.2149.8-62.9-169.5175-171.60120.8
187N34.3Very low34.2Very low153 Ų153128 Ų12882%0.81869%0.694SS**  trans-49172.2131.3-151.326.3000111.5
188P37.2Very low34.7Very low87 Ų87125.6 Ų125.657%0.56569%0.691SS**  cis-129-161.7-5.735.2-13.3000113.8
189N35.9Very low35.3Very low150 Ų150124.3 Ų124.380%0.80269%0.689SS**  trans77.7126.3174.5-46.2-25.1000113
190S35.6Very low36Very low92 Ų92123.5 Ų123.564%0.64369%0.689SS**  cis-153.9138.735.245.10000115
191F31.8Very low36.2Very low198 Ų198118.8 Ų118.887%0.86867%0.669SS**  trans66.9-178.9147-66.9-135000112.3
192I29.4Very low37.1Very low153 Ų153113 Ų11379%0.78564%0.64SS**  cis-152.1150.543.1-79.2168.7000110
193P33.7Very low37.6Very low102 Ų102108 Ų10866%0.66261%0.605SS**  trans-81.6163.4-179.9-6.324.9000113.8
194S28.6Very low38.3Very low44 Ų44111.2 Ų111.231%0.30860%0.603SS.*  trans-119.2149.9137.8-76.40000108.3
195P33Very low39.1Very low89 Ų89111.1 Ų111.158%0.57859%0.59SS**  trans-68.3-178.5156.534.8-35.7000109.5T197P195-T197 PolarHBondContact O-N 3.06Å
196V33.8Very low39.7Very low83 Ų83110.3 Ų110.350%0.50358%0.582SS.*  trans34.385.7140174.50000113.1T198 S201 S202V196-T198 HydrophobicContact CG2-CG2 4.16Å; V196-S201 WeakPolarHBondContact CG1-O 3.36Å; V196-S202 CarbonylContact O-C 3Å; V196-S202 PolarHBondContact O-N 3.28Å
197T32.4Very low40.2Very low48 Ų48106.4 Ų106.429%0.29457%0.567SS.*  cis-72.3159.520.948.80000117P195 T199 P203P195-T197 PolarHBondContact O-N 3.06Å; T197-T199 HydrophobicContact CG2-CG2 4.31Å; T197-P203 WeakPolarHBondContact OG1-CD 3.46Å; T197-P203 WeakPolarHBondContact OG1-CG 3.33Å
198T48.3Very low41Very low107 Ų107103.3 Ų103.366%0.65656%0.556SS**SBendcis2595.4-13.9-65.10000120V196 L200V196-T198 HydrophobicContact CG2-CG2 4.16Å; T198-L200 VanDerWaalsContact O-CB 3.26Å; T198-L200 WeakPolarHBondContact O-CB 3.33Å
199T46.5Very low41.7Very low129 Ų129108.5 Ų108.579%0.79156%0.564SS**SBendtrans-75.6125.7-177.1-43.50000112.4T197T197-T199 HydrophobicContact CG2-CG2 4.31Å
200L47.4Very low42.5Very low150 Ų150107.2 Ų107.279%0.78556%0.564SS**SBendcis50.8-138.8-26.3-35.2171.3000118.3T198T198-L200 VanDerWaalsContact O-CB 3.26Å; T198-L200 WeakPolarHBondContact O-CB 3.33Å
201S39.6Very low43.8Very low47 Ų47112.2 Ų112.233%0.32957%0.574SS.*SBendtrans-163.1145.7-166.551.60000108.4V196V196-S201 WeakPolarHBondContact CG1-O 3.36Å
202S50.7Low44.8Very low23 Ų23106.8 Ų106.816%0.16157%0.566CS.*  cis-168.4130.2-4.5176.70000108.1V196 W204 H207V196-S202 CarbonylContact O-C 3Å; V196-S202 PolarHBondContact O-N 3.28Å; S202-W204 PolarHBondContact O-N 3Å; S202-H207 VanDerWaalsContact CB-CD2 3.49Å; S202-H207 WeakPolarHBondContact CB-CD2 3.42Å; S202-H207 VanDerWaalsContact CB-CE1 3.48Å; S202-H207 WeakPolarHBondContact CB-CE1 3.37Å; S202-H207 WeakPolarHBondContact CB-NE2 3.19Å; S202-H207 PolarHBondContact OG-CE1 3.36Å; S202-H207 PolarHBondContact OG-ND1 3.47Å; S202-H207 PolarHBondContact OG-NE2 3.48Å
203P45.7Very low46.3Very low17 Ų17104.8 Ų104.811%0.1156%0.563CS.*  trans-56.8118.8-179.3-18.430.7000108.5T197 Y205 R206T197-P203 WeakPolarHBondContact OG1-CD 3.46Å; T197-P203 WeakPolarHBondContact OG1-CG 3.33Å; P203-Y205 HydrophobicContact CB-CD1 4.08Å; P203-Y205 HydrophobicContact CB-CE1 3.5Å; P203-Y205 VanDerWaalsContact CB-CE1 3.5Å; P203-Y205 PolarHBondContact O-N 3.28Å; P203-R206 HydrophobicContact CB-CG 4.39Å; P203-R206 HydrophobicContact CG-CG 4.47Å; P203-R206 WeakPolarHBondContact O-CA 3.27Å; P203-R206 VanDerWaalsContact O-CB 3.27Å; P203-R206 WeakPolarHBondContact O-CB 3.47Å; P203-R206 PolarHBondContact O-N 3.21Å
204W48.6Very low47.4Very low163 Ų163105 Ų10562%0.61757%0.565SS**G310 helixtrans-58.4-32.6-152.357.5-91.3000114S202 R206 H207 C208S202-W204 PolarHBondContact O-N 3Å; W204-R206 VanDerWaalsContact C-N 3.28Å; W204-R206 PolarHBondContact O-N 2.98Å; W204-H207 WeakPolarHBondContact O-CA 3.43Å; W204-H207 PolarHBondContact O-N 2.74Å; W204-C208 PolarHBondContact O-N 3.21Å; W204-C208 PolarHBondContact O-SG 3.47Å
205Y50Low48.2Very low112 Ų112108.6 Ų108.644%0.43959%0.587SS.*G310 helixtrans-61.5-26172.869.3-90.2000114.6P203 H207 C208 R209P203-Y205 HydrophobicContact CB-CD1 4.08Å; P203-Y205 HydrophobicContact CB-CE1 3.5Å; P203-Y205 VanDerWaalsContact CB-CE1 3.5Å; P203-Y205 PolarHBondContact O-N 3.28Å; Y205-H207 PolarHBondContact O-N 3.02Å; Y205-C208 PolarHBondContact O-N 2.81Å; Y205-R209 PolarHBondContact O-N 3.06Å
206R50.3Low48.9Very low171 Ų171112.2 Ų112.265%0.64560%0.6SS**G310 helixtrans-68.5-14.4170.3-67.5-161.4178.8-1510.8112.9P203 W204P203-R206 HydrophobicContact CB-CG 4.39Å; P203-R206 HydrophobicContact CG-CG 4.47Å; P203-R206 WeakPolarHBondContact O-CA 3.27Å; P203-R206 VanDerWaalsContact O-CB 3.27Å; P203-R206 WeakPolarHBondContact O-CB 3.47Å; P203-R206 PolarHBondContact O-N 3.21Å; W204-R206 VanDerWaalsContact C-N 3.28Å; W204-R206 PolarHBondContact O-N 2.98Å
207H51.5Low49.2Very low117 Ų117113.1 Ų113.154%0.54261%0.605SS.*THydrogen-bonded Turntrans-103.1-14.5171.7-72.2-10000113.2S202 W204 Y205S202-H207 VanDerWaalsContact CB-CD2 3.49Å; S202-H207 WeakPolarHBondContact CB-CD2 3.42Å; S202-H207 VanDerWaalsContact CB-CE1 3.48Å; S202-H207 WeakPolarHBondContact CB-CE1 3.37Å; S202-H207 WeakPolarHBondContact CB-NE2 3.19Å; S202-H207 PolarHBondContact OG-CE1 3.36Å; S202-H207 PolarHBondContact OG-ND1 3.47Å; S202-H207 PolarHBondContact OG-NE2 3.48Å; W204-H207 WeakPolarHBondContact O-CA 3.43Å; W204-H207 PolarHBondContact O-N 2.74Å; Y205-H207 PolarHBondContact O-N 3.02Å
208C50.9Low49.3Very low88 Ų88115 Ų11560%0.59563%0.625SS**SBendtrans-97.76.6176.7-58.20000114.8W204 Y205 P210W204-C208 PolarHBondContact O-N 3.21Å; W204-C208 PolarHBondContact O-SG 3.47Å; Y205-C208 PolarHBondContact O-N 2.81Å; C208-P210 WeakPolarHBondContact O-CD 3.43Å
209R52.6Low48.8Very low195 Ų195118.1 Ų118.174%0.73663%0.63SS**SBendtrans-65.9128.5174.4-78.7-166.8172.9-161.5-3.2110.6Y205 K211Y205-R209 PolarHBondContact O-N 3.06Å; R209-K211 PolarHBondContact O-N 2.97Å
210P52.9Low48.1Very low124 Ų124117.4 Ų117.481%0.80563%0.63SS**PPolyproline II helixtrans-53.5126.8165.8-24.734.6000109.5C208 A212C208-P210 WeakPolarHBondContact O-CD 3.43Å; P210-A212 PolarHBondContact O-N 3.46Å
211K62Low47.6Very low196 Ų196115.4 Ų115.485%0.85263%0.625SS**PPolyproline II helixtrans-70.1116.8177.8-151.7171.5-169.1172.50107.3R209R209-K211 PolarHBondContact O-N 2.97Å
212A53.9Low47.2Very low84 Ų84122.2 Ų122.269%0.69465%0.651SS**PPolyproline II helixtrans-54.2136.8-179.100000110P210P210-A212 PolarHBondContact O-N 3.46Å
213P60.4Low46.5Very low112 Ų112127.8 Ų127.873%0.72768%0.679SS**PPolyproline II helixtrans-59.7141173.426.7-33.6000109.1
214P55.7Low45.8Very low107 Ų107132.4 Ų132.470%0.69571%0.712SS**PPolyproline II helixtrans-60.9145.9172.428.2-34.1000109.4I216P214-I216 PolarHBondContact O-N 3.38Å
215P45.2Very low45.1Very low119 Ų119128.8 Ų128.877%0.77372%0.717SS**PPolyproline II helixtrans-61127.9177.725.9-33.7000109.9V217P215-V217 PolarHBondContact O-N 3.17Å
216I47.8Very low44.1Very low165 Ų165132.3 Ų132.385%0.84673%0.734SS**  trans-73.7110.9174.2-58.9174.8000107.1P214 A218P214-I216 PolarHBondContact O-N 3.38Å; I216-A218 PolarHBondContact O-N 3.34Å
217V41.1Very low43.1Very low101 Ų101130.5 Ų130.561%0.61275%0.747SS**  trans-76.1108.6170.2-179.20000107.4P215 F219P215-V217 PolarHBondContact O-N 3.17Å; V217-F219 HydrophobicContact CB-CE2 4.19Å; V217-F219 HydrophobicContact CG1-CD2 4.17Å; V217-F219 HydrophobicContact CG1-CE2 3.83Å; V217-F219 HydrophobicContact CG1-CZ 4.11Å; V217-F219 PolarHBondContact O-N 3.17Å; V217-F219 VanDerWaalsContact O-N 3.17Å
218A35Very low42Very low87 Ų87130.3 Ų130.372%0.71976%0.757SS**  trans-72.1105173.800000109.3I216 S220I216-A218 PolarHBondContact O-N 3.34Å; A218-S220 PolarHBondContact O-N 3.35Å; A218-S220 VanDerWaalsContact O-N 3.13Å
219F37.8Very low41.4Very low173 Ų173134.9 Ų134.976%0.75977%0.77SS**  trans-79.491.3172.1-81.1-80.3000110.1V217 T221V217-F219 HydrophobicContact CB-CE2 4.19Å; V217-F219 HydrophobicContact CG1-CD2 4.17Å; V217-F219 HydrophobicContact CG1-CE2 3.83Å; V217-F219 HydrophobicContact CG1-CZ 4.11Å; V217-F219 PolarHBondContact O-N 3.17Å; V217-F219 VanDerWaalsContact O-N 3.17Å; F219-T221 PolarHBondContact O-N 2.93Å
220S31.5Very low40.5Very low114 Ų114131.4 Ų131.480%0.79777%0.766SS**  trans-56.3124.3158.2-520000108.5A218A218-S220 PolarHBondContact O-N 3.35Å; A218-S220 VanDerWaalsContact O-N 3.13Å
221T35.9Very low39.5Very low109 Ų109133.1 Ų133.167%0.66976%0.763SS**  trans-140.969.6174.3-46.80000110.2F219 N223F219-T221 PolarHBondContact O-N 2.93Å; T221-N223 PolarHBondContact O-N 3.49Å
222E31.9Very low38.1Very low190 Ų190128.3 Ų128.389%0.88875%0.754SS**  trans-61.5117.2148.9-70.1-177.4108.300108.2
223N35.9Very low37.2Very low140 Ų140134.3 Ų134.375%0.74976%0.758SS**  trans-165.7103.8154.5-89.7-46.4000105.9T221T221-N223 PolarHBondContact O-N 3.49Å
224S31.3Very low36Very low114 Ų114135.3 Ų135.380%0.79776%0.758SS**  58.883.563.8-163.60000112.8
225A33Very low34.9Very low86 Ų86140.7 Ų140.771%0.71177%0.771SS**  165.7131.7105.800000113.6
226K30.2Very low34.5Very low186 Ų186143 Ų14381%0.80977%0.771SS**  trans34.7117.5142.4-59.2176.9179.5178.50119.8
227C29.6Very low33.9Very low134 Ų134141.2 Ų141.291%0.90576%0.763SS**  -132.7122.2124.1-83.50000107.9
228C28.4Very low33.5Very low113 Ų113143 Ų14376%0.76478%0.778SS**  trans-115.6106.7172.9-61.60000107.7
229E36.4Very low33.6Very low184 Ų184147 Ų14786%0.8678%0.782SS**  trans-173.1140.3170.6-106.9164.7-139.600106.6
230N33.8Very low33.4Very low121 Ų121142.3 Ų142.365%0.64778%0.782SS**  cis-156.3156.2-27.1-123.727.2000107.7
231E32.3Very low33.5Very low161 Ų161142.9 Ų142.975%0.75279%0.787SS**  trans31.899.3145.2-56.7171.8113.100119.8
232S33.6Very low33.6Very low94 Ų94145 Ų14566%0.65779%0.794SS**  171.1137.1117.4-83.90000113.9
233R34.3Very low34.1Very low210 Ų210146.7 Ų146.779%0.79279%0.792SS**  58.3125.6128.3-60.8177.4-160.4-121.60.2119
234D36Very low34.2Very low134 Ų134146 Ų14672%0.71780%0.798SS**  cis-143.6153.34.9-75.3-51000111.4
235F31.3Very low34.4Very low220 Ų220144.1 Ų144.197%0.96580%0.796SS**  trans-104.199.6165.9-85-90.7000108.6
236E37.8Very low34.5Very low166 Ų166146.8 Ų146.878%0.77680%0.799SS**  trans-131.1125.4166.9-79.2-161.4121.700112.6
237L34.2Very low34.8Very low128 Ų128143.4 Ų143.467%0.6779%0.79SS**  trans53.994.2138.7-60.9165000118.6E239L237-E239 HydrophobicContact CB-CG 4.32Å; L237-E239 HydrophobicContact CD2-CG 4.35Å
238C33Very low35.1Very low138 Ų138145.5 Ų145.593%0.93279%0.786SS**  -79109.8125.7-72.50000107.6
239E38.2Very low35.3Very low171 Ų171149 Ų14980%0.79979%0.791SS**  trans-67152.4175-72.8-171.7109.100112.4L237L237-E239 HydrophobicContact CB-CG 4.32Å; L237-E239 HydrophobicContact CD2-CG 4.35Å
240G32.4Very low34.9Very low75 Ų75147.7 Ų147.777%0.77379%0.785SS**  trans-75.9128.2179.500000113.1D242G240-D242 VanDerWaalsContact C-N 3.35Å; G240-D242 PolarHBondContact O-N 2.92Å; G240-D242 VanDerWaalsContact O-N 3.13Å
241S34.8Very low34.6Very low127 Ų127150.4 Ų150.489%0.88879%0.791SS**  trans-85.766.7176.6177.10000112.4R243S241-R243 PolarHBondContact O-N 2.83Å
242D38Very low34.5Very low152 Ų152151.4 Ų151.481%0.81380%0.796SS**  trans-83.5101.7176.2-103.8-27.3000112.6G240G240-D242 VanDerWaalsContact C-N 3.35Å; G240-D242 PolarHBondContact O-N 2.92Å; G240-D242 VanDerWaalsContact O-N 3.13Å
243R41.7Very low34.2Very low227 Ų227152.2 Ų152.286%0.85780%0.8SS**SBend175.4125.5129.2-94.7151.2-168.3-102.7-3.8114.9S241S241-R243 PolarHBondContact O-N 2.83Å
244S37.8Very low33.9Very low125 Ų125150.2 Ų150.287%0.87480%0.8SS**  trans52.9114.8154.259.70000118.9
245G35.2Very low33.5Very low74 Ų74149.6 Ų149.676%0.76380%0.796SS**  trans-165.2-6.6174.400000118
246N34.4Very low33.3Very low143 Ų143146.1 Ų146.177%0.76579%0.787SS**  trans69.3142.9179.4-91.447.3000118.6
247D36.8Very low32.9Very low115 Ų115146.2 Ų146.262%0.61579%0.792SS**  trans63.497.1148.1-49.3-23.2000120.6
248H36.1Very low32.5Very low177 Ų177148.9 Ų148.982%0.81980%0.798SS**  47137.2129.5-50.4-63.1000120.2
249Q32.7Very low32.3Very low188 Ų188147.9 Ų147.988%0.87979%0.79SS**  cis-153157.827.1-165.3164.4-1.300112
250E27.6Very low31.9Very low156 Ų156146.4 Ų146.473%0.72979%0.788SS**  trans-91.7172.6-175.4-58.9167.8121.100113.7
251F28.5Very low31.8Very low177 Ų177148 Ų14878%0.77678%0.784SS**  trans71.7153.9174.1-55.6-82.9000115.3
252E30.8Very low31.5Very low183 Ų183147.2 Ų147.286%0.85578%0.778SS**  cis-136.6173.613.8-155159.6-142.300112.7
253C26Very low31Very low111 Ų111146.8 Ų146.875%0.7578%0.775SS**  trans-94.2179.8-166.7-69.80000115.1
254E28.4Very low30.2Very low167 Ų167144.6 Ų144.678%0.7877%0.772SS**  trans95.9120.9148.3-82-168-163.200122.2
255N28Very low29.5Very low121 Ų121144 Ų14465%0.64777%0.767SS**  trans93.6100.2135-67.7-27.6000122.2
256L27.4Very low29.2Very low148 Ų148145.7 Ų145.778%0.77577%0.768SS**  trans87.1138.3135.2-91.376.1000120.4
257L28.2Very low28.9Very low167 Ų167144.7 Ų144.787%0.87477%0.767SS**  trans72.567.4161.1-59.9171.5000118.7
258K26.7Very low28.3Very low184 Ų184145 Ų14580%0.878%0.776SS**  trans-138.1142.9136.8-104.1175.2-177.6179.80108
259P29.1Very low27.8Very low118 Ų118141.1 Ų141.177%0.76677%0.769SS**  -142144.376.537.4-21.2000116.3
260D29.6Very low27.4Very low140 Ų140137.1 Ų137.175%0.74975%0.747SS**  trans-75.7148.6140.9-66.3-67000108.2
261P30.9Very low27.4Very low107 Ų107134.1 Ų134.170%0.69574%0.743SS**  -145.7148120.434.4-19.1000116.2
262C28Very low27.5Very low111 Ų111129.4 Ų129.475%0.7574%0.737SS**  trans38.8113.3135.4-52.90000119.5
263L26.9Very low27.5Very low144 Ų144132.4 Ų132.475%0.75474%0.74SS**  76.1128.970.2-72.1175.3000116.4
264F25.8Very low27.7Very low181 Ų181132.6 Ų132.679%0.79474%0.741SS**  trans63.598.4158.7-66.5-64000122.2
265S23.3Very low27.7Very low111 Ų111129.6 Ų129.678%0.77674%0.736SS**  43.293.8109.7-178.40000119.8
266S29.1Very low27.9Very low111 Ų111128.5 Ų128.578%0.77674%0.739SS**  trans-141.8130.4138.848.20000107.6
267V26.8Very low28.1Very low122 Ų122127.8 Ų127.874%0.73973%0.734SS**  81.6105.755.6175.50000112.5
268C24.1Very low28.4Very low120 Ų120129 Ų12981%0.81174%0.735SS**  trans67.5154.1172.8-580000115.4
269S26.8Very low29Very low97 Ų97125.6 Ų125.668%0.67873%0.73SS**  cis-139.3172.614.1-59.60000113.7Q74Q74-S269 PolarHBondContact NE2-O 3.27Å
270Y23.5Very low29.2Very low104 Ų104126.8 Ų126.841%0.40873%0.729SS.*  trans-86.3138.4168.6-91-139.2000112A73 Q74 K75 V77A73-Y270 WeakPolarHBondContact O-CE2 3.32Å; A73-Y270 PolarHBondContact O-OH 3.33Å; Q74-Y270 HydrophobicContact CG-CD2 3.88Å; Q74-Y270 HydrophobicContact CG-CE2 4.19Å; Q74-Y270 HydrophobicContact CG-CG 4.19Å; Q74-Y270 WeakPolarHBondContact O-CD1 3.33Å; Q74-Y270 WeakPolarHBondContact O-CE1 3.44Å; K75-Y270 PolarHBondContact N-OH 3.17Å; K75-Y270 VanDerWaalsContact N-OH 3.16Å; V77-Y270 WeakPolarHBondContact CG2-OH 3.49Å
271S28.4Very low29.5Very low93 Ų93129.2 Ų129.265%0.6574%0.736SS**  trans-162.2111.9152.4-168.50000108.1
272A30.1Very low29.6Very low78 Ų78128 Ų12865%0.64574%0.735SS**  cis92.295.446.300000114.2
273R30.6Very low29.7Very low245 Ų245129.5 Ų129.593%0.92574%0.735SS**  trans71.7154.6168.2-54.8177.8179.6-179-1.2114.6
274C29Very low30.1Very low115 Ų115131 Ų13178%0.77774%0.743SS**  cis-134.5169.48-1200000112
275P29.9Very low30.2Very low104 Ų104125.9 Ų125.968%0.67573%0.73SS**  trans-92.1169.3-177.437.9-34.9000113.8V279P275-V279 HydrophobicContact CB-CG2 4.39Å
276S30.9Very low30.5Very low99 Ų99129 Ų12969%0.69273%0.732SS**  trans-139118.5175.9-169.70000113.6Q278S276-Q278 PolarHBondContact O-N 2.78Å
277I33.3Very low31Very low133 Ų133131.5 Ų131.568%0.68273%0.732SS**SBendtrans41.748.5146.1-34.5178.2000118.6L280I277-L280 HydrophobicContact CG2-CD1 4.4Å
278Q33.5Very low31.2Very low192 Ų192133.6 Ų133.690%0.89774%0.739SS**SBend-11916.4128.6-74.2-171-18.600111.4S276 L280S276-Q278 PolarHBondContact O-N 2.78Å; Q278-L280 PolarHBondContact O-N 2.98Å; Q278-L280 VanDerWaalsContact O-N 3.1Å
279V40Very low31.9Very low113 Ų113131.9 Ų131.969%0.68572%0.721SS**THydrogen-bonded Turntrans-85.334.3-175.6-168.20000111.1P275P275-V279 HydrophobicContact CB-CG2 4.39Å
280L33.7Very low32Very low142 Ų142134 Ų13474%0.74372%0.724SS**THydrogen-bonded Turntrans-140.7-12.7-167.8-93.2167.7000116.3I277 Q278 A282I277-L280 HydrophobicContact CG2-CD1 4.4Å; Q278-L280 PolarHBondContact O-N 2.98Å; Q278-L280 VanDerWaalsContact O-N 3.1Å; L280-A282 PolarHBondContact O-N 3.37Å
281E34.3Very low32.5Very low192 Ų192139.1 Ų139.190%0.89774%0.743SS**SBendtrans-88.197.1173.7-70.1-159.3147.500111.6
282A34.4Very low32.7Very low82 Ų82140.9 Ų140.968%0.67875%0.745SS**  trans64102.6161.300000118.1L280 L284L280-A282 PolarHBondContact O-N 3.37Å; A282-L284 PolarHBondContact O-N 2.95Å
283D28.9Very low33.1Very low142 Ų142140.9 Ų140.976%0.75974%0.741SS**  trans-21.191.1134.7-69.2-69.9000115.6
284L34.7Very low33.4Very low174 Ų174136.7 Ų136.791%0.91174%0.736SS**  trans-111.542.4148.7-68.9177.1000109.8A282A282-L284 PolarHBondContact O-N 2.95Å
285S29.1Very low33.8Very low74 Ų74141.3 Ų141.352%0.51774%0.739SS.*  trans-80.2150.7161.481.50000109.7
286Q29.7Very low34.6Very low176 Ų176141.4 Ų141.482%0.82274%0.74SS**  trans64.458.1165.1-51.6-177.948.400119.1
287E38.4Very low35.5Very low165 Ų165142.3 Ų142.377%0.77174%0.743SS**  trans-122.868.3138.5-78.3-141160.200111.7I289E287-I289 HydrophobicContact CB-CD1 4.38Å; E287-I289 HydrophobicContact CB-CG1 4.11Å; E287-I289 VanDerWaalsContact CD-CD1 3.42Å; E287-I289 HydrophobicContact CG-CD1 3.89Å; E287-I289 HydrophobicContact CG-CG1 4.16Å; E287-I289 PolarHBondContact O-N 3.31Å; E287-I289 VanDerWaalsContact OE1-CD1 3.31Å; E287-I289 WeakPolarHBondContact OE1-CD1 3.5Å
288N32.6Very low36.2Very low166 Ų166141.7 Ų141.789%0.88875%0.748SS**  trans-77.455.1162.2-174.128.7000109.9
289I38Very low36.7Very low84 Ų84138.2 Ų138.243%0.43174%0.742SS.*  trans-99.9105.5-174.3-48.7-171000111E287 W291E287-I289 HydrophobicContact CB-CD1 4.38Å; E287-I289 HydrophobicContact CB-CG1 4.11Å; E287-I289 VanDerWaalsContact CD-CD1 3.42Å; E287-I289 HydrophobicContact CG-CD1 3.89Å; E287-I289 HydrophobicContact CG-CG1 4.16Å; E287-I289 PolarHBondContact O-N 3.31Å; E287-I289 VanDerWaalsContact OE1-CD1 3.31Å; E287-I289 WeakPolarHBondContact OE1-CD1 3.5Å; I289-W291 HydrophobicContact CG2-CD2 4.18Å; I289-W291 HydrophobicContact CG2-CG 4.13Å; I289-W291 HydrophobicContact CG2-CZ2 4.24Å; I289-W291 VanDerWaalsContact CG2-NE1 3.29Å; I289-W291 PolarHBondContact O-N 2.81Å
290N29.5Very low36.7Very low140 Ų140138.6 Ų138.675%0.74975%0.75SS**  trans-73.381.9176.1-179.747.5000111.7D292N290-D292 VanDerWaalsContact C-N 3.27Å; N290-D292 PolarHBondContact O-N 2.88Å; N290-D292 VanDerWaalsContact O-N 3.12Å
291W33Very low37.1Very low212 Ų212139.8 Ų139.880%0.80376%0.756SS**  trans-84.161173.7-75.8122.1000113.4I289 S293I289-W291 HydrophobicContact CG2-CD2 4.18Å; I289-W291 HydrophobicContact CG2-CG 4.13Å; I289-W291 HydrophobicContact CG2-CZ2 4.24Å; I289-W291 VanDerWaalsContact CG2-NE1 3.29Å; I289-W291 PolarHBondContact O-N 2.81Å; W291-S293 PolarHBondContact O-N 3.24Å
292D32.9Very low37.3Very low130 Ų130134.6 Ų134.670%0.69575%0.746SS**  trans-82.989.1159.1-178.818000109.5N290N290-D292 VanDerWaalsContact C-N 3.27Å; N290-D292 PolarHBondContact O-N 2.88Å; N290-D292 VanDerWaalsContact O-N 3.12Å
293S38.4Very low37.4Very low79 Ų79136.5 Ų136.555%0.55275%0.751SS**  trans-168114.2160.2-88.20000114.2W291 Y295W291-S293 PolarHBondContact O-N 3.24Å; S293-Y295 PolarHBondContact O-N 3.24Å
294N37.6Very low37.9Very low157 Ų157136 Ų13684%0.8476%0.756SS**  trans-4.8103149.1-53.6-82.5000117.2
295Y36.5Very low38.2Very low211 Ų211133.3 Ų133.383%0.82775%0.751SS**  trans-123.9133.9157.8-89.8-87.8000110.5S293S293-Y295 PolarHBondContact O-N 3.24Å
296P48.1Very low38.5Very low107 Ų107133.3 Ų133.370%0.69576%0.763SS**PPolyproline II helixtrans-76.6154177.332.6-35000111.5
297P49.8Very low38.8Very low117 Ų117131.7 Ų131.776%0.7677%0.765SS**PPolyproline II helixtrans-66.9139.3175.228.3-34.4000111.2
298P46.4Very low38.5Very low120 Ų120129.2 Ų129.278%0.77977%0.766SS**PPolyproline II helixtrans-67.1152.4172.428.7-34000111.3
299P45.5Very low38.8Very low119 Ų119129.5 Ų129.577%0.77377%0.766SS**PPolyproline II helixtrans-76.4160-168.730.8-36.6000114.2L301P299-L301 PolarHBondContact O-N 3.22Å
300S39.1Very low38.5Very low122 Ų122131.4 Ų131.485%0.85378%0.782SS**PPolyproline II helixtrans-52.9131.1174-1760000112.9
301L41.8Very low38.9Very low166 Ų166132.9 Ų132.987%0.86979%0.789SS**PPolyproline II helixtrans-92.5129166-84.1164.8000109.9P299P299-L301 PolarHBondContact O-N 3.22Å
302A39.9Very low39Very low84 Ų84130.7 Ų130.769%0.69479%0.79SS**PPolyproline II helixtrans-69153178.700000112
303P35.3Very low39.1Very low121 Ų121130 Ų13079%0.78680%0.795SS**PPolyproline II helixtrans-73.2135.9-172.828.9-35.3000112.7S305P303-S305 PolarHBondContact O-N 3.39Å
304P40.5Very low38.9Very low132 Ų132136 Ų13686%0.85781%0.806SS**PPolyproline II helixtrans-73.2125.8169.829.9-32.7000110.5
305S39.9Very low38.7Very low117 Ų117134.1 Ų134.182%0.81881%0.805SS**PPolyproline II helixtrans-81.1125.1-179.2560000112.9P303P303-S305 PolarHBondContact O-N 3.39Å
306G35.5Very low38.7Very low74 Ų74133.4 Ų133.476%0.76380%0.802SS**  trans54.293.2144.400000119.5
307V36.1Very low38.2Very low143 Ų143133.8 Ų133.887%0.86781%0.807SS**  trans-144.9120.8144-1040000109.6
308S33.2Very low37.8Very low112 Ų112135.6 Ų135.678%0.78381%0.81SS**  trans-83.5120.3176.3-58.20000110.6
309L37.4Very low37.5Very low172 Ų172135.8 Ų135.890%0.90181%0.811SS**  trans-10477.9166.2-76.2175.4000110.2L311L309-L311 PolarHBondContact O-N 3.14Å; L309-L311 VanDerWaalsContact O-N 3.15Å
310T33.1Very low37.3Very low125 Ų125135.3 Ų135.377%0.76781%0.81SS**  trans-7597.1174.2-41.50000109.7
311L36.9Very low37.6Very low170 Ų170135.5 Ų135.589%0.8981%0.809SS**  trans-105.9113.2172.3-116.2167.5000110.2L309L309-L311 PolarHBondContact O-N 3.14Å; L309-L311 VanDerWaalsContact O-N 3.15Å
312M34.1Very low37.5Very low166 Ų166135.6 Ų135.682%0.81881%0.809SS**  trans-72.3140.6-169.4-62159.160.300112.8
313S36.2Very low37.5Very low115 Ų115137.3 Ų137.380%0.80481%0.807SS**  trans-158.7117.3148.8-90.20000113.7
314R33.9Very low37.6Very low206 Ų206138.5 Ų138.578%0.77781%0.807SS**  trans59.582.8155.9-59.3-174.4177.9-166.4-2.2118Y316R314-Y316 HydrophobicContact CB-CE2 4.33Å
315S34Very low37.4Very low118 Ų118138.9 Ų138.983%0.82580%0.802SS**  trans-57.6134.8148.1-40.50000110.5
316Y36.7Very low37.5Very low196 Ų196139 Ų13977%0.76980%0.797SS**  trans-107.1114.5160.5-80.1-92.5000108.2R314R314-Y316 HydrophobicContact CB-CE2 4.33Å
317S36.7Very low37.8Very low114 Ų114142.1 Ų142.180%0.79780%0.796SS**PPolyproline II helixtrans-80.9122.3-177.5-53.50000111
318L40.9Very low38.2Very low156 Ų156144 Ų14482%0.81780%0.796SS**PPolyproline II helixtrans-73.8145.6158.4-101.568.2000109.6
319P41.8Very low38.4Very low123 Ų123141.6 Ų141.680%0.79979%0.788SS**PPolyproline II helixtrans-69.9136.1179.728.9-34000111
320S40.7Very low38.6Very low109 Ų109138.4 Ų138.476%0.76278%0.781SS**PPolyproline II helixtrans-74.1137.7168.9-620000109.9L322S320-L322 PolarHBondContact O-N 3.35Å
321P46Very low38.6Very low127 Ų127139.7 Ų139.783%0.82578%0.783SS**PPolyproline II helixtrans-66.2133.9178.127.4-33.8000110.8N323P321-N323 PolarHBondContact O-N 2.86Å
322L39Very low38.6Very low168 Ų168139.5 Ų139.588%0.8878%0.781SS**PPolyproline II helixtrans-71.4125.4-178.5-152.381.5000110.4S320S320-L322 PolarHBondContact O-N 3.35Å
323N38.8Very low38.4Very low119 Ų119139 Ų13964%0.63678%0.781SS**  trans-14285.7168.2-173.9-2.2000110.6P321 N325P321-N323 PolarHBondContact O-N 2.86Å; N323-N325 PolarHBondContact OD1-ND2 3.13Å; N323-N325 VanDerWaalsContact OD1-ND2 3.09Å; N323-N325 PolarHBondContact OD1-OD1 3.38Å
324N38.9Very low38.4Very low147 Ų147139.4 Ų139.479%0.78678%0.784SS**  trans-104.9103.7163-77.7-0.8000108.1T326N324-T326 PolarHBondContact O-N 3.36Å
325N36Very low38.2Very low140 Ų140133.2 Ų133.275%0.74978%0.784SS**  trans-75.7107.7168.5-56.8-77.8000109.3N323N323-N325 PolarHBondContact OD1-ND2 3.13Å; N323-N325 VanDerWaalsContact OD1-ND2 3.09Å; N323-N325 PolarHBondContact OD1-OD1 3.38Å
326T41.7Very low38.1Very low119 Ų119134.2 Ų134.273%0.7379%0.785SS**  trans-157.5134.9150.27.70000111.3N324N324-T326 PolarHBondContact O-N 3.36Å
327D41.3Very low37.7Very low139 Ų139130.8 Ų130.874%0.74379%0.785SS**  trans58.9133.7148.9-63.3-4.5000122.4
328E44.7Very low37.6Very low183 Ų183129.7 Ų129.786%0.85578%0.782SS**  trans56.2117.5138.1-64.7-60.8132.200120.4
329G38.6Very low37.1Very low61 Ų61132.7 Ų132.763%0.62978%0.784SS**  trans124.5107.814300000117
330S41.4Very low36.9Very low106 Ų106135 Ų13574%0.74179%0.789SS**  trans41.5103.2143.856.60000119.6
331N32.1Very low36.8Very low151 Ų151138.3 Ų138.381%0.80779%0.793SS**  22.4124.8115.5-47.3-29.5000117.9
332I37.1Very low36.5Very low166 Ų166141.6 Ų141.685%0.85180%0.797SS**  173.9150.3114.9-88.4154.4000110.4
333L30.9Very low36.7Very low157 Ų157139.3 Ų139.382%0.82279%0.79SS**  trans-65.9139.5176.7-73.762.8000112.3
334S35.5Very low36.6Very low122 Ų122140.8 Ų140.885%0.85380%0.798SS**  -167.8142.5121.3-83.10000111.1
335G28.8Very low36.8Very low76 Ų76140.6 Ų140.678%0.78480%0.795SS**  trans-90.3155.917700000112.5
336T32.5Very low37.2Very low140 Ų140142.3 Ų142.386%0.85980%0.796SS**  trans-136.4117.1166.4-55.60000108.3A338T336-A338 PolarHBondContact O-N 3.16Å
337V29.4Very low37.1Very low124 Ų124142.7 Ų142.775%0.75280%0.8SS**  trans-84.2111.7179.2177.60000108.6Y339V337-Y339 HydrophobicContact CG1-CD2 4.46Å; V337-Y339 HydrophobicContact CG1-CE2 4.32Å
338A34.5Very low37.1Very low91 Ų91144.3 Ų144.375%0.75281%0.808SS**  trans-89.5116.3169.600000109.6T336T336-A338 PolarHBondContact O-N 3.16Å
339Y29.1Very low36.9Very low218 Ų218139.7 Ų139.786%0.85580%0.801SS**  trans-72138.3165.8-72.8-103000108.8V337V337-Y339 HydrophobicContact CG1-CD2 4.46Å; V337-Y339 HydrophobicContact CG1-CE2 4.32Å
340L37.3Very low36.8Very low173 Ų173141.8 Ų141.891%0.90680%0.804SS**  trans-111.7142.9172.9-151.278.8000109.5
341E39.6Very low36.7Very low178 Ų178144 Ų14483%0.83281%0.806SS**  trans-70.1142.4-169-63.1168.9104.100113.7V343E341-V343 PolarHBondContact O-N 2.99Å; E341-V343 VanDerWaalsContact O-N 3.09Å
342E39.7Very low36.8Very low196 Ų196143 Ų14392%0.91681%0.805SS**  trans-71.399.5169.1-71.2-171.5126.300110.6N344E342-N344 PolarHBondContact O-N 2.83Å
343V43.3Very low36.6Very low120 Ų120142 Ų14273%0.72780%0.801SS**  trans-69.896.2173.8-175.40000109.4E341 I345E341-V343 PolarHBondContact O-N 2.99Å; E341-V343 VanDerWaalsContact O-N 3.09Å; V343-I345 HydrophobicContact CG1-CD1 4.46Å; V343-I345 HydrophobicContact CG1-CG1 3.99Å; V343-I345 PolarHBondContact O-N 3.12Å
344N36Very low36.9Very low150 Ų150142.3 Ų142.380%0.80280%0.802SS**  trans-76.784.7-174.5-166.7-24.9000112E342 K346E342-N344 PolarHBondContact O-N 2.83Å; N344-K346 PolarHBondContact O-N 2.96Å
345I42.6Very low37Very low143 Ų143144.1 Ų144.173%0.73380%0.802SS**  trans-82.1111.1-179.2-55.9174.2000110.2V343V343-I345 HydrophobicContact CG1-CD1 4.46Å; V343-I345 HydrophobicContact CG1-CG1 3.99Å; V343-I345 PolarHBondContact O-N 3.12Å
346K44.2Very low37.6Very low176 Ų176146 Ų14677%0.76580%0.8SS**PPolyproline II helixtrans-63.9138.7172.2-68.8179.1177.8176.90111N344 L348N344-K346 PolarHBondContact O-N 2.96Å; K346-L348 PolarHBondContact O-N 2.98Å
347P41.5Very low37.7Very low127 Ų127147.1 Ų147.183%0.82580%0.801SS**PPolyproline II helixtrans-64.9135.9176.926.9-34.1000111.3
348L40.8Very low37.7Very low172 Ų172145.4 Ų145.490%0.90181%0.808SS**PPolyproline II helixtrans-70.8141.9174.5-70.2164.8000110.4K346K346-L348 PolarHBondContact O-N 2.98Å
349A39.3Very low37.6Very low87 Ų87143.9 Ų143.972%0.71980%0.801SS**PPolyproline II helixtrans-66.4140.3177.700000111.3
350P37Very low37.9Very low104 Ų104138.2 Ų138.268%0.67579%0.793SS**PPolyproline II helixtrans-66.8135.7-178.626.9-34.2000111.7T352P350-T352 PolarHBondContact O-N 2.9Å; P350-T352 VanDerWaalsContact O-N 3.12Å
351I40.1Very low38Very low153 Ų153139.8 Ų139.879%0.78579%0.793SS**  trans-77.199.3-176-59.4172.8000110.1N353I351-N353 VanDerWaalsContact C-N 3.35Å; I351-N353 HydrophobicContact CG2-CB 4.33Å; I351-N353 PolarHBondContact O-N 3.01Å
352T33.7Very low37.9Very low129 Ų129138 Ų13879%0.79179%0.788SS**  trans-80.870.8-178.756.10000112.4P350P350-T352 PolarHBondContact O-N 2.9Å; P350-T352 VanDerWaalsContact O-N 3.12Å
353N33.4Very low37.9Very low145 Ų145138.5 Ų138.578%0.77578%0.782SS**  trans-143.835.4-178.5-103.1-26.1000114.9I351I351-N353 VanDerWaalsContact C-N 3.35Å; I351-N353 HydrophobicContact CG2-CB 4.33Å; I351-N353 PolarHBondContact O-N 3.01Å
354I37.4Very low37.5Very low164 Ų164143.9 Ų143.984%0.84179%0.789SS**  trans-123.788.6170.5-51.2178.6000109.1
355L37.3Very low37.6Very low160 Ų160143.8 Ų143.884%0.83878%0.783SS**  trans-74.5127.3171.4-75.6167000109.7N357L355-N357 PolarHBondContact O-N 3.21Å
356P42Very low37.4Very low117 Ų117139.8 Ų139.876%0.7677%0.767SS**  trans-73.7112.8176.428.9-32.7000110.2G358P356-G358 PolarHBondContact O-N 3.46Å
357N33.2Very low37.6Very low163 Ų163142.1 Ų142.187%0.87278%0.776SS**  trans-53.9124.4177.6-82.8-25000111.5L355 G359L355-N357 PolarHBondContact O-N 3.21Å; N357-G359 VanDerWaalsContact C-N 3.27Å; N357-G359 PolarHBondContact O-N 3.22Å
358G30.3Very low37.4Very low87 Ų87143.6 Ų143.690%0.89777%0.766SS**  trans-72.861.8-169.400000115.7P356 S360P356-G358 PolarHBondContact O-N 3.46Å; G358-S360 PolarHBondContact O-N 3.25Å
359G30.8Very low37.3Very low59 Ų59137.4 Ų137.461%0.60874%0.739SS**  trans-71.3120.8168.600000111.5N357 F361N357-G359 VanDerWaalsContact C-N 3.27Å; N357-G359 PolarHBondContact O-N 3.22Å; G359-F361 PolarHBondContact O-N 2.84Å
360S36Very low37.1Very low99 Ų99139.3 Ų139.369%0.69274%0.742SS**  trans-56.7127.8-17757.80000113.1G358 I362G358-S360 PolarHBondContact O-N 3.25Å; S360-I362 VanDerWaalsContact C-N 3.3Å; S360-I362 PolarHBondContact O-N 3.47Å
361F38.7Very low37.1Very low207 Ų207139 Ų13991%0.90874%0.742SS**  trans-7175.5179.8-77.5-84.1000113.3G359 R363G359-F361 PolarHBondContact O-N 2.84Å; F361-R363 PolarHBondContact O-N 3.05Å
362I37.5Very low36.6Very low139 Ų139137.3 Ų137.371%0.71374%0.742SS**  trans-67.398.1169.7-56.9174000108.6S360 R364S360-I362 VanDerWaalsContact C-N 3.3Å; S360-I362 PolarHBondContact O-N 3.47Å; I362-R364 PolarHBondContact O-N 2.8Å
363R40.4Very low36.6Very low208 Ų208135.3 Ų135.379%0.78573%0.734SS**  trans-6795.4176.8-75.2-171.4174.7173.63.8110.9F361 H365F361-R363 PolarHBondContact O-N 3.05Å; R363-H365 PolarHBondContact O-CD2 3.07Å; R363-H365 PolarHBondContact O-N 2.67Å
364R34.5Very low36.4Very low233 Ų233133.5 Ų133.588%0.87973%0.733SS**  trans-67.7109.7165.9-69.1-176.6173.6-174.5-1.9109.2I362I362-R364 PolarHBondContact O-N 2.8Å
365H39.1Very low36Very low148 Ų148133.1 Ų133.169%0.68573%0.732SS**  trans-68.6143.7171.6-77.2-111.9000110.3R363 A369R363-H365 PolarHBondContact O-CD2 3.07Å; R363-H365 PolarHBondContact O-N 2.67Å; H365-A369 HydrophobicContact CB-CB 4.36Å
366P38.9Very low35.8Very low59 Ų59131.2 Ų131.238%0.38373%0.727SS.*  trans-69.5150.1177.929.7-34.8000111.2W368 A369P366-W368 HydrophobicContact CB-CD2 4.29Å; P366-W368 HydrophobicContact CB-CZ2 4.05Å; P366-W368 HydrophobicContact CG-CD2 4.13Å; P366-W368 HydrophobicContact CG-CE3 4.38Å; P366-W368 HydrophobicContact CG-CH2 3.97Å; P366-W368 HydrophobicContact CG-CZ2 3.68Å; P366-W368 HydrophobicContact CG-CZ3 4.31Å; P366-W368 PolarHBondContact O-N 3.24Å; P366-A369 HydrophobicContact CG-CB 4.19Å; P366-A369 WeakPolarHBondContact O-CB 3.44Å; P366-A369 PolarHBondContact O-N 3.03Å
367K48.4Very low35.3Very low224 Ų224133.5 Ų133.597%0.97473%0.732SS**THydrogen-bonded Turntrans-55.8-13.9-173.8-91.4-174172.4-177.60116.7
368W37Very low35.2Very low159 Ų159135.9 Ų135.960%0.60273%0.728SS**THydrogen-bonded Turntrans-103.9-4.8179.250.4-105.4000113.6P366 V370P366-W368 HydrophobicContact CB-CD2 4.29Å; P366-W368 HydrophobicContact CB-CZ2 4.05Å; P366-W368 HydrophobicContact CG-CD2 4.13Å; P366-W368 HydrophobicContact CG-CE3 4.38Å; P366-W368 HydrophobicContact CG-CH2 3.97Å; P366-W368 HydrophobicContact CG-CZ2 3.68Å; P366-W368 HydrophobicContact CG-CZ3 4.31Å; P366-W368 PolarHBondContact O-N 3.24Å; W368-V370 VanDerWaalsContact C-N 3.34Å; W368-V370 PolarHBondContact O-N 3.47Å
369A39.1Very low35.1Very low41 Ų41136.1 Ų136.134%0.33972%0.716SS.*SBendtrans-70.694.6167.400000108.1H365 P366 S371H365-A369 HydrophobicContact CB-CB 4.36Å; P366-A369 HydrophobicContact CG-CB 4.19Å; P366-A369 WeakPolarHBondContact O-CB 3.44Å; P366-A369 PolarHBondContact O-N 3.03Å; A369-S371 PolarHBondContact O-N 3.07Å
370V34.5Very low35.2Very low128 Ų128140.4 Ų140.478%0.77672%0.72SS**  trans-54.1115.9171175.50000107.6W368 C372W368-V370 VanDerWaalsContact C-N 3.34Å; W368-V370 PolarHBondContact O-N 3.47Å; V370-C372 VanDerWaalsContact C-N 3.35Å; V370-C372 PolarHBondContact O-N 3.26Å
371S36.6Very low34.8Very low96 Ų96141.2 Ų141.267%0.67172%0.721SS**  trans-67.797.4170.850.80000108A369 S373A369-S371 PolarHBondContact O-N 3.07Å; S371-S373 PolarHBondContact O-N 3.2Å; S371-S373 PolarHBondContact O-OG 3.12Å
372C29.9Very low34.4Very low118 Ų118137.4 Ų137.480%0.79772%0.715SS**  trans-61.383.4158-67.30000107.4V370 S374V370-C372 VanDerWaalsContact C-N 3.35Å; V370-C372 PolarHBondContact O-N 3.26Å; C372-S374 PolarHBondContact O-N 3.5Å
373S32.8Very low34Very low88 Ų88136.3 Ų136.362%0.61571%0.714SS**  trans-74.383.717934.30000108.2S371 D375S371-S373 PolarHBondContact O-N 3.2Å; S371-S373 PolarHBondContact O-OG 3.12Å; S373-D375 PolarHBondContact O-N 2.99Å
374S28.9Very low33.6Very low107 Ų107136.8 Ų136.875%0.74872%0.716SS**  trans-58.880.3153.753.80000108.8C372C372-S374 PolarHBondContact O-N 3.5Å
375D30.3Very low33.4Very low155 Ų155134.1 Ų134.183%0.82971%0.711SS**  trans-176.760168-95-24.4000111.7S373S373-D375 PolarHBondContact O-N 2.99Å
376T32.3Very low33.3Very low120 Ų120133.2 Ų133.274%0.73672%0.719SS**  trans-154.317.1162.8-9.80000118R378T376-R378 PolarHBondContact O-N 3.09Å
377I31.3Very low33Very low166 Ų166134.1 Ų134.185%0.85174%0.739SS**  trans-76.377.4160.4-58.5-175.4000108S379I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.35Å
378R32.3Very low32.6Very low213 Ų213128.6 Ų128.680%0.80473%0.728SS**  trans-80.577.4179.1-175.7178.8171.5157.3-0.3109.6T376 H380T376-R378 PolarHBondContact O-N 3.09Å; R378-H380 PolarHBondContact O-N 2.92Å
379S27.9Very low32.2Very low92 Ų92129.4 Ų129.464%0.64374%0.744SS**  trans-73.739.9-17944.50000114.7I377I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.35Å
380H32.3Very low32.3Very low148 Ų148131.6 Ų131.669%0.68576%0.757SS**  trans-133.989.8165.6-65.6-47.9000108R378R378-H380 PolarHBondContact O-N 2.92Å
381T28.6Very low32.2Very low117 Ų117133.1 Ų133.172%0.71876%0.759SS**  62.2140.886.465.60000114.7
382T30.2Very low32.5Very low127 Ų127133.5 Ų133.578%0.77975%0.753SS**  trans95.575.3167.8-41.60000118.3
383V29.1Very low32.9Very low116 Ų116135.2 Ų135.270%0.70375%0.754SS**  trans30.5120.7135.8-142.40000120.2
384R32.2Very low33.5Very low217 Ų217138.7 Ų138.782%0.81976%0.758SS**  170.4115106.9-89.3-178.6-178.7-176.70.1114.6
385F28.4Very low34.2Very low178 Ų178138.1 Ų138.178%0.78175%0.747SS**  trans36.5116.6150.4-53-74.7000121.8
386P37.4Very low35.4Very low129 Ų129139 Ų13984%0.83875%0.751SS**  trans-79.3142.6136.234.7-29.7000110
387G32.4Very low36.1Very low78 Ų78140.1 Ų140.180%0.80475%0.752SS**  trans-110.7114.2-178.200000113.6
388S40.2Very low36.9Very low108 Ų108136 Ų13676%0.75574%0.738SS**  trans-164.1127.1160.953.70000110.2S390S388-S390 PolarHBondContact O-N 2.84Å
389N29.9Very low37.8Very low175 Ų175130.9 Ų130.994%0.93674%0.735SS**  trans-80.9113.4-177.4-63.5-19.1000111.2
390S40.7Very low38.9Very low87 Ų87132.4 Ų132.461%0.60874%0.742SS**  trans-139.2105.5157.958.50000108.5S388 I392S388-S390 PolarHBondContact O-N 2.84Å; S390-I392 PolarHBondContact O-N 3.28Å; S390-I392 VanDerWaalsContact O-N 3.13Å
391I31.8Very low40Very low161 Ų161130.8 Ų130.883%0.82675%0.748SS**  trans-69.8109174-60.4170.4000106.8
392I42.8Very low41.2Very low104 Ų104131.3 Ų131.353%0.53375%0.751SS.*  trans-132.5110.2170.4-56176.9000105.1S390 F394S390-I392 PolarHBondContact O-N 3.28Å; S390-I392 VanDerWaalsContact O-N 3.13Å; I392-F394 VanDerWaalsContact C-N 3.29Å; I392-F394 HydrophobicContact CB-CD2 4.11Å; I392-F394 HydrophobicContact CB-CE2 3.76Å; I392-F394 HydrophobicContact CB-CZ 4.49Å; I392-F394 HydrophobicContact CD1-CE2 4.41Å; I392-F394 HydrophobicContact CG2-CD2 3.84Å; I392-F394 HydrophobicContact CG2-CE1 4.39Å; I392-F394 HydrophobicContact CG2-CE2 3.44Å; I392-F394 VanDerWaalsContact CG2-CE2 3.44Å; I392-F394 HydrophobicContact CG2-CG 4.47Å; I392-F394 HydrophobicContact CG2-CZ 3.76Å; I392-F394 WeakPolarHBondContact O-CD2 3.41Å; I392-F394 PolarHBondContact O-N 3Å
393D38.7Very low42.5Very low154 Ų154130.6 Ų130.682%0.82475%0.748SS**  trans-70.687.9176-72.4-54.4000109.6D395D393-D395 PolarHBondContact O-N 2.99Å
394F45.3Very low43.7Very low160 Ų160130.3 Ų130.370%0.70275%0.751SS**  trans-76.394.3163.8-72.5-76.9000108.2I392 L396I392-F394 VanDerWaalsContact C-N 3.29Å; I392-F394 HydrophobicContact CB-CD2 4.11Å; I392-F394 HydrophobicContact CB-CE2 3.76Å; I392-F394 HydrophobicContact CB-CZ 4.49Å; I392-F394 HydrophobicContact CD1-CE2 4.41Å; I392-F394 HydrophobicContact CG2-CD2 3.84Å; I392-F394 HydrophobicContact CG2-CE1 4.39Å; I392-F394 HydrophobicContact CG2-CE2 3.44Å; I392-F394 VanDerWaalsContact CG2-CE2 3.44Å; I392-F394 HydrophobicContact CG2-CG 4.47Å; I392-F394 HydrophobicContact CG2-CZ 3.76Å; I392-F394 WeakPolarHBondContact O-CD2 3.41Å; I392-F394 PolarHBondContact O-N 3Å; F394-L396 PolarHBondContact O-N 2.79Å
395D44Very low45.1Very low96 Ų96124.8 Ų124.851%0.51374%0.743SS.*  trans-57.5109.6174.4-174.6-8.7000109.7D393 N397 S398D393-D395 PolarHBondContact O-N 2.99Å; D395-N397 PolarHBondContact O-N 2.82Å; D395-N397 WeakPolarHBondContact OD1-CB 3.28Å; D395-N397 PolarHBondContact OD1-N 3.1Å; D395-N397 PolarHBondContact OD1-ND2 3.13Å; D395-S398 WeakPolarHBondContact O-CB 3.35Å; D395-S398 PolarHBondContact O-N 3.33Å; D395-S398 PolarHBondContact O-OG 3.19Å
396L55.9Low46.5Very low174 Ų174121.6 Ų121.691%0.91174%0.741SS**THydrogen-bonded Turntrans-65.2-8.5-176.6-74.9160.7000113.4F394F394-L396 PolarHBondContact O-N 2.79Å
397N46.7Very low47.1Very low143 Ų143121 Ų12177%0.76574%0.737SS**THydrogen-bonded Turntrans-88.4-8.4172.7-52.1-77.7000112.7D395 S399D395-N397 PolarHBondContact O-N 2.82Å; D395-N397 WeakPolarHBondContact OD1-CB 3.28Å; D395-N397 PolarHBondContact OD1-N 3.1Å; D395-N397 PolarHBondContact OD1-ND2 3.13Å; N397-S399 PolarHBondContact O-N 3.32Å
398S48.6Very low47.6Very low78 Ų78123 Ų12355%0.54573%0.733SS.*SBendtrans-77.8112.3174.3650000110.7D395D395-S398 WeakPolarHBondContact O-CB 3.35Å; D395-S398 PolarHBondContact O-N 3.33Å; D395-S398 PolarHBondContact O-OG 3.19Å
399S51Low47.5Very low107 Ų107124.7 Ų124.775%0.74873%0.732SS**PPolyproline II helixtrans-54135.7175.4-59.80000110.5N397 S401N397-S399 PolarHBondContact O-N 3.32Å; S399-S401 PolarHBondContact O-N 3.1Å
400P50.9Low48Very low123 Ų123121.3 Ų121.380%0.79972%0.718SS**PPolyproline II helixtrans-57.1129-176.323.1-33.6000110.4V402P400-V402 PolarHBondContact O-N 3.16Å; P400-V402 VanDerWaalsContact O-N 3.07Å
401S54.5Low48Very low115 Ų115124.5 Ų124.580%0.80472%0.723SS**PPolyproline II helixtrans-53116.1-175.456.10000110.7S399S399-S401 PolarHBondContact O-N 3.1Å
402V54.9Low48.1Very low127 Ų127127.5 Ų127.577%0.7772%0.724SS**PPolyproline II helixtrans-53.4123.4-179.8-178.90000108.5P400 S404P400-V402 PolarHBondContact O-N 3.16Å; P400-V402 VanDerWaalsContact O-N 3.07Å; V402-S404 PolarHBondContact O-N 2.8Å
403P57.7Low47.8Very low113 Ų113128.8 Ų128.873%0.73473%0.731SS**PPolyproline II helixtrans-58.6129.6178.824.5-33.3000108.4
404S53.5Low47.7Very low109 Ų109127.2 Ų127.276%0.76273%0.729SS**PPolyproline II helixtrans-51.4133.6-174.4-49.10000110.1V402V402-S404 PolarHBondContact O-N 2.8Å
405P61.6Low47.1Very low101 Ų101125.5 Ų125.566%0.65674%0.736SS**PPolyproline II helixtrans-55.6143.4174.824.8-33.5000108.8
406P58.2Low46.8Very low111 Ų111129.8 Ų129.872%0.72175%0.753SS**PPolyproline II helixtrans-52.9141.5174.424.7-33.9000108.5V408P406-V408 PolarHBondContact O-N 3.45Å
407P50.6Low45.7Very low118 Ų118128.7 Ų128.777%0.76675%0.747SS**PPolyproline II helixtrans-53121.2-170.821.9-33.6000108.9I409P407-I409 VanDerWaalsContact C-N 3.31Å; P407-I409 PolarHBondContact O-N 3.1Å
408V42.8Very low45Very low118 Ų118129.4 Ų129.472%0.71575%0.751SS**  trans-62.5100.2-179.7-179.20000106.6P406 V410P406-V408 PolarHBondContact O-N 3.45Å; V408-V410 HydrophobicContact CG1-CG2 3.93Å; V408-V410 PolarHBondContact O-N 3.4Å
409I38.2Very low44.1Very low145 Ų145132.8 Ų132.874%0.74476%0.761SS**  trans-65.892.1162.8-59.3178000103.6P407 E411P407-I409 VanDerWaalsContact C-N 3.31Å; P407-I409 PolarHBondContact O-N 3.1Å; I409-E411 HydrophobicContact CG2-CG 4.23Å; I409-E411 PolarHBondContact O-N 3.36Å
410V40Very low43.4Very low103 Ų103132.7 Ų132.762%0.62476%0.761SS**  trans-65.189.5163.5-177.30000104.3V408 R412V408-V410 HydrophobicContact CG1-CG2 3.93Å; V408-V410 PolarHBondContact O-N 3.4Å; V410-R412 HydrophobicContact CG1-CG 3.97Å; V410-R412 PolarHBondContact O-N 2.95Å
411E39.3Very low42.6Very low154 Ų154135.6 Ų135.672%0.7276%0.763SS**  trans-55.792.7153.4-70.6-167.6160.100105.2I409 L413I409-E411 HydrophobicContact CG2-CG 4.23Å; I409-E411 PolarHBondContact O-N 3.36Å; E411-L413 PolarHBondContact O-N 3Å
412R34.9Very low41.6Very low224 Ų224135.4 Ų135.485%0.84576%0.762SS**  trans-64.483.8160.1-72.7-177174.9154.5-2.5105V410V410-R412 HydrophobicContact CG1-CG 3.97Å; V410-R412 PolarHBondContact O-N 2.95Å
413L35.9Very low40.6Very low132 Ų132136.6 Ų136.669%0.69176%0.76SS**  trans-39.6126.6153.7-66.5172.8000105.6E411 C415E411-L413 PolarHBondContact O-N 3Å; L413-C415 VanDerWaalsContact C-N 3.35Å; L413-C415 PolarHBondContact O-N 3.23Å
414P37.3Very low39.5Very low120 Ų120137.8 Ų137.878%0.77976%0.755SS**  trans-60.7105.4176.225.5-32000106.4E416P414-E416 PolarHBondContact O-N 3.2Å; P414-E416 VanDerWaalsContact O-N 3.11Å
415C31.7Very low38.6Very low124 Ų124139.9 Ų139.984%0.83875%0.753SS**  trans-55.6123.3178.8-63.10000107.3L413 L417L413-C415 VanDerWaalsContact C-N 3.35Å; L413-C415 PolarHBondContact O-N 3.23Å; C415-L417 PolarHBondContact O-N 2.78Å
416E37.6Very low37.1Very low187 Ų187143.2 Ų143.287%0.87476%0.76SS**  trans-6987.3178.9-68.7-166.7143.900109.3P414 D418P414-E416 PolarHBondContact O-N 3.2Å; P414-E416 VanDerWaalsContact O-N 3.11Å; E416-D418 VanDerWaalsContact C-N 3.29Å; E416-D418 PolarHBondContact O-N 3.48Å
417L33.9Very low35.8Very low151 Ų151142.6 Ų142.679%0.79176%0.758SS**  trans35.851.8140.1-146.882.4000115.8C415 I419C415-L417 PolarHBondContact O-N 2.78Å; L417-I419 HydrophobicContact CD2-CD1 4.48Å; L417-I419 HydrophobicContact CG-CG1 4.43Å; L417-I419 WeakPolarHBondContact O-CG1 3.41Å; L417-I419 PolarHBondContact O-N 3.23Å; L417-I419 VanDerWaalsContact O-N 3.14Å
418D32.6Very low35Very low157 Ų157144.1 Ų144.184%0.8476%0.758SS**  trans-78.1102176.9-143.5-12.5000108.5E416 S420E416-D418 VanDerWaalsContact C-N 3.29Å; E416-D418 PolarHBondContact O-N 3.48Å; D418-S420 PolarHBondContact O-N 2.85Å; D418-S420 VanDerWaalsContact O-N 3.14Å
419I30Very low34.4Very low150 Ų150144.3 Ų144.377%0.76976%0.763SS**  trans-81.297.1-168.4-60.5160.8000108.9L417L417-I419 HydrophobicContact CD2-CD1 4.48Å; L417-I419 HydrophobicContact CG-CG1 4.43Å; L417-I419 WeakPolarHBondContact O-CG1 3.41Å; L417-I419 PolarHBondContact O-N 3.23Å; L417-I419 VanDerWaalsContact O-N 3.14Å
420S34.8Very low33.8Very low105 Ų105143 Ų14373%0.73477%0.767SS**  trans-139.7141.4165.548.40000112.7D418D418-S420 PolarHBondContact O-N 2.85Å; D418-S420 VanDerWaalsContact O-N 3.14Å
421E35.2Very low33.4Very low183 Ų183143.1 Ų143.186%0.85577%0.772SS**  trans-69.3176.6-157.9-57.5166.2114.700115.7
422S33.5Very low33Very low112 Ų112141.5 Ų141.578%0.78377%0.773SS**  trans75.2142.616780.20000116.9
423Q34.1Very low32.9Very low152 Ų152137.6 Ų137.671%0.7177%0.768SS**  cis-160.2143.8-17167.6168.1-7.900109.9
424E34Very low32.8Very low138 Ų138138.2 Ų138.265%0.64577%0.772SS**  trans68.6149.2159.9-82.4169-144.500122.4
425Q33.9Very low32.8Very low153 Ų153139.7 Ų139.772%0.71577%0.773SS**  trans80.192164.1-38.2-147.31.100116
426H30.9Very low33.2Very low171 Ų171138.5 Ų138.579%0.79276%0.764SS**  65.4127.280.1-58.4-47.4000112.3
427S30.9Very low33Very low98 Ų98135.9 Ų135.969%0.68576%0.756SS**  cis-170.5-168.1-3.6500000109.7
428I33.7Very low33Very low150 Ų150136 Ų13677%0.76976%0.757SS**  trans85.1106.1162.2-60.1163.6000117.4
429C29.2Very low33.1Very low121 Ų121132.3 Ų132.382%0.81875%0.748SS**  trans66.295.3146.6-65.30000121.5
430S26Very low33.4Very low119 Ų119136.7 Ų136.783%0.83276%0.755SS**  trans-47.8145.2143.2-35.70000113.3
431S32Very low33.5Very low104 Ų104137.6 Ų137.673%0.72776%0.758SS**  -179.1114.7114.755.90000114
432T30.3Very low33.9Very low120 Ų120136.2 Ų136.274%0.73676%0.755SS**  trans44.1123.6140.649.10000123.2
433L34.5Very low34.1Very low142 Ų142139.9 Ų139.974%0.74376%0.757SS**  trans82.7106.6134.3-62.4165.7000121.1
434N33.6Very low34.5Very low145 Ų145141.3 Ų141.378%0.77577%0.769SS**  79.398.4124.3-63.22.9000121.8
435N36.9Very low35Very low151 Ų151142.7 Ų142.781%0.80777%0.772SS**  -26.2155.5126.3-110.4-30.5000114.2
436P39.9Very low35.2Very low99 Ų99146.4 Ų146.464%0.64378%0.78SS**  cis-151.5-176.948.443.1-23000117.9
437N32.7Very low35.4Very low133 Ų133142 Ų14271%0.71178%0.781SS**  trans60.697.8152.1-64.7-25.2000119.4
438L34.9Very low35.7Very low153 Ų153142 Ų14280%0.80179%0.787SS**  trans176.9107134.1-93.1162.1000106
439A34.4Very low36.2Very low79 Ų79139.8 Ų139.865%0.65378%0.782SS**  84.2101.157.500000114.7
440R36.8Very low36.8Very low243 Ų243140.5 Ų140.592%0.91778%0.778SS**  trans66.8173168.9-48.8178.6178.4-163.5-1.2115.2
441P36.2Very low37.5Very low123 Ų123141.9 Ų141.980%0.79978%0.776SS**  -109.4172.2-55.336.5-27.5000111.3F443P441-F443 PolarHBondContact O-N 3Å
442I43.5Very low37.9Very low155 Ų155142 Ų14280%0.79578%0.784SS**  trans-82.8108.2-171.2-60.9176.3000111.8
443F38.6Very low38.4Very low189 Ų189145.1 Ų145.183%0.82979%0.79SS**  trans56.7125.4162.9-54.7-51.5000121.2P441P441-F443 PolarHBondContact O-N 3Å
444L41.4Very low38.8Very low181 Ų181147.3 Ų147.395%0.94880%0.796SS**  -150169.6125-106.8169.4000109.6
445K44.8Very low38.8Very low167 Ų167146 Ų14673%0.72679%0.789SS**  trans-122.8139.1-141.8-150.6176.6-174.6170.80114.7
446R39.1Very low39Very low231 Ų231148.1 Ų148.187%0.87279%0.791SS**  trans71.6148.2169.5-37.1179.5-148.9-133.17.8115
447G33.8Very low38.6Very low78 Ų78149.8 Ų149.880%0.80480%0.795SS**  cis-171.5168.5-400000111.5
448A37.1Very low39.1Very low100 Ų100150.8 Ų150.883%0.82680%0.801SS**  trans-91.8-176.3179.200000111.1
449P44.9Very low39.4Very low103 Ų103150.6 Ų150.667%0.66980%0.799SS**  cis-141.5-148.115.646.4-24.2000113.8
450D41.9Very low39.5Very low135 Ų135155.3 Ų155.372%0.72281%0.811SS**  cis-157.2177.13.9-118.6-29.2000112.3
451D41.1Very low39.6Very low149 Ų149146.7 Ų146.780%0.79780%0.797SS**  trans37122.8155.6-67.4-22.3000124.6
452A40.4Very low39.4Very low107 Ų107148 Ų14888%0.88480%0.797SS**  178.8139.6126.200000112.7
453E39.8Very low39.1Very low185 Ų185146.4 Ų146.486%0.86479%0.79SS**  trans-111.4157.4-179.2-55.6-177.7141.400113.6
454Q42.2Very low39.1Very low187 Ų187143.9 Ų143.987%0.87478%0.784SS**  179.1158.1124.9-97.916825.700113.1
455N34.3Very low39Very low118 Ų118141.7 Ų141.763%0.63177%0.773SS**  trans-142.8146.1-175.2177.949.5000111.4D457N455-D457 PolarHBondContact ND2-OD2 3.03Å
456F40.5Very low39Very low195 Ų195144.2 Ų144.286%0.85578%0.784SS**  trans-154.7119161.2-79.6-69.3000112
457D33.1Very low39Very low134 Ų134142.2 Ų142.272%0.71779%0.785SS**  trans-86.2149.3159.6-57.9-88.9000109.9N455N455-D457 PolarHBondContact ND2-OD2 3.03Å
458D41.7Very low38.9Very low155 Ų155148.8 Ų148.883%0.82979%0.787SS**  trans-173.1166.3131.6-132.8-31.4000115.7
459I41.3Very low38.9Very low149 Ų149151 Ų15176%0.76479%0.785SS**  trans78.9120160.2-61.6150.4000119.1
460I37.8Very low38.6Very low178 Ų178153.7 Ų153.791%0.91379%0.792SS**  trans-130142.7167.7-67.6174.1000109.4
461G37.7Very low38.3Very low61 Ų61152.6 Ų152.663%0.62979%0.792SS**  trans129.7161.1166.700000113.6
462L33Very low38Very low151 Ų151151.6 Ų151.679%0.79180%0.796SS**  cis-160.8177.3-17.9-154.890.6000107.7
463D37.5Very low37.5Very low121 Ų121150.9 Ų150.965%0.64779%0.791SS**  trans61.8129.2177.4-69.5-35.5000116.7
464I38.1Very low37.3Very low137 Ų137150 Ų15070%0.70379%0.789SS**  cis80.3137.426-44167.5000113.5
465N39.6Very low37.1Very low134 Ų134149.5 Ų149.572%0.71778%0.783SS**  trans82.190.5175.4-48.2-66.4000118.2
466K44.7Very low37.1Very low220 Ų220155.3 Ų155.396%0.95780%0.797SS**  -162.6164126.3-106.7154-170.1171.90112.4
467E39Very low36.8Very low189 Ų189150.3 Ų150.388%0.88379%0.786SS**  trans-111.3176.5-149.4-160.6164.7-179.800113.6
468Y31.1Very low37Very low217 Ų217151.5 Ų151.585%0.85179%0.787SS**  trans-61.4145.9-175.9-87.6-116.2000114
469D38.3Very low36.6Very low146 Ų146152.6 Ų152.678%0.78178%0.781SS**  -167.1151109.7-117.1-23.1000113.4
470I37.2Very low36.3Very low160 Ų160156.1 Ų156.182%0.82178%0.784SS**  trans-140.9119.6170.2-57.7176.2000109.7
471P36.1Very low35.9Very low111 Ų111152.4 Ų152.472%0.72177%0.766SS**  trans-138144.6158.236.4-21.8000116.2
472S35.6Very low35.9Very low128 Ų128157.6 Ų157.690%0.89578%0.779SS**  trans76.9140.3149.3-148.90000119.9
473A29Very low36Very low92 Ų92155.4 Ų155.476%0.7677%0.772SS**  trans-122.5152.5179.500000110.8
474M34.7Very low35.9Very low168 Ų168156.5 Ų156.583%0.82878%0.778SS**  trans-156.2141.8167.3-133.7-164.6-167.200114.8
475K39.7Very low36Very low175 Ų175159.2 Ų159.276%0.76179%0.787SS**  trans74.7114.8169.1-55.8169.6-173.3173.90113.9
476R33.3Very low35.8Very low241 Ų241161 Ų16191%0.90979%0.792SS**  72.2131.971.5-86-174.8163.9122.3-4.7111.9
477S34.1Very low35.2Very low90 Ų90160.8 Ų160.863%0.62979%0.786SS**  cis-170.316513.646.70000115.8
478H37.5Very low35Very low159 Ų159155.7 Ų155.774%0.73677%0.771SS**  trans82.8116.4155.2-70.1-71.4000120.5
479Y33.1Very low35.6Very low178 Ų178150.8 Ų150.870%0.69877%0.766SS**  trans24.6130.5134.1-67.4-104.1000118.2
480W34.6Very low35.4Very low223 Ų223152.5 Ų152.585%0.84577%0.767SS**  cis-135.1-176.318.5-5278000109.4
481D31.3Very low35.6Very low100 Ų100154.9 Ų154.954%0.53577%0.771SS.*  cis-147.81767.1-178.347.5000110.5T483D481-T483 WeakPolarHBondContact OD2-CB 3.44Å; D481-T483 PolarHBondContact OD2-N 2.99Å; D481-T483 VanDerWaalsContact OD2-N 3.11Å; D481-T483 PolarHBondContact OD2-OG1 3.14Å
482L35.6Very low35.7Very low170 Ų170155.1 Ų155.189%0.8978%0.775SS**SBendtrans-13068.1170-74.589.2000113.1
483T36.8Very low35.8Very low104 Ų104159.9 Ų159.964%0.63877%0.773SS**SBendtrans-136.5-23.9169.657.80000116.9D481D481-T483 WeakPolarHBondContact OD2-CB 3.44Å; D481-T483 PolarHBondContact OD2-N 2.99Å; D481-T483 VanDerWaalsContact OD2-N 3.11Å; D481-T483 PolarHBondContact OD2-OG1 3.14Å
484N34.2Very low36Very low145 Ų145161.3 Ų161.378%0.77577%0.773SS**SBendtrans-14573.8-167.1-74.3-86.4000113.6
485E40.8Very low36.2Very low194 Ų194161.9 Ų161.991%0.90777%0.773SS**  trans-151.6167.7167.9-130.5162.8-136.600114.7
486E34.9Very low36.2Very low172 Ų172160.1 Ų160.180%0.80477%0.772SS**  trans-55.3121.1-154.4-58.2-177.3105.600117.9S488E486-S488 PolarHBondContact O-N 2.86Å
487Y33.3Very low36.6Very low214 Ų214157.3 Ų157.384%0.83977%0.773SS**  trans-85.4100.1152.3-164.1-87.7000109.4P489Y487-P489 HydrophobicContact CE1-CB 4.48Å; Y487-P489 VanDerWaalsContact O-CD 3.27Å; Y487-P489 WeakPolarHBondContact O-CD 3.36Å
488S35.1Very low37.2Very low82 Ų82159.5 Ų159.557%0.57378%0.777SS**  trans-101.8101.2-175.6-164.80000112E486 K490E486-S488 PolarHBondContact O-N 2.86Å; S488-K490 VanDerWaalsContact C-N 3.31Å; S488-K490 PolarHBondContact O-N 3.41Å
489P41.8Very low37.3Very low114 Ų114157.1 Ų157.174%0.7478%0.776SS**  trans-81.368.5-169.433.8-37.9000113.2Y487Y487-P489 HydrophobicContact CE1-CB 4.48Å; Y487-P489 VanDerWaalsContact O-CD 3.27Å; Y487-P489 WeakPolarHBondContact O-CD 3.36Å
490K35.6Very low37.7Very low183 Ų183152.7 Ų152.780%0.79677%0.771SS**  trans-124.1118163.5-73.1179.7179.5172.60109.3S488S488-K490 VanDerWaalsContact C-N 3.31Å; S488-K490 PolarHBondContact O-N 3.41Å
491K40.6Very low38.2Very low210 Ų210151.3 Ų151.391%0.91377%0.774SS**SBendtrans93.951.8-179.9-50.9163.3-177.7174.50117.5
492S37.6Very low38.7Very low115 Ų115150.3 Ų150.380%0.80477%0.774SS**  trans-149.894.9151.9-173.30000107.4
493R37.8Very low38.8Very low228 Ų228144.8 Ų144.886%0.8675%0.75SS**  68.777.757.8-162.3177179143.32.4114.1
494V34.1Very low38.7Very low123 Ų123144.5 Ų144.575%0.74576%0.758SS**  trans49.297.3140.9-171.50000116.7
495Q37.7Very low38.8Very low179 Ų179146.4 Ų146.484%0.83676%0.759SS**  trans-162.7151.3137.3-114144.78700113.2
496L40.4Very low38.6Very low139 Ų139143.8 Ų143.873%0.72875%0.751SS**  trans59.164.1159.4-56.7177000118.1L498L496-L498 HydrophobicContact CB-CD1 3.88Å; L496-L498 HydrophobicContact CD2-CD1 3.91Å; L496-L498 HydrophobicContact CG-CD1 4.34Å; L496-L498 PolarHBondContact O-N 3.07Å
497L42.3Very low38.4Very low181 Ų181140.8 Ų140.895%0.94875%0.747SS**  trans-70.377.3149-78.2169.3000109.9
498L45.8Very low38.8Very low136 Ų136137.7 Ų137.771%0.71275%0.749SS**  trans-73129.3160.9-87.484.8000108.6L496 S500L496-L498 HydrophobicContact CB-CD1 3.88Å; L496-L498 HydrophobicContact CD2-CD1 3.91Å; L496-L498 HydrophobicContact CG-CD1 4.34Å; L496-L498 PolarHBondContact O-N 3.07Å; L498-S500 PolarHBondContact O-N 3.5Å
499P40.9Very low38.9Very low110 Ų110142 Ų14271%0.71476%0.758SS**  trans-70.2113.9172.728.9-32.2000109.1
500S41.3Very low38.4Very low85 Ų85142.4 Ų142.459%0.59476%0.763SS**  trans-60.5148.8172.958.40000110.9L498 C502 S503L498-S500 PolarHBondContact O-N 3.5Å; S500-C502 PolarHBondContact O-N 3.29Å; S500-S503 WeakPolarHBondContact O-CB 3.29Å; S500-S503 PolarHBondContact O-N 3.48Å
501E43.6Very low38.5Very low193 Ų193138.9 Ų138.990%0.90276%0.757SS**THydrogen-bonded Turntrans-63.70.5-170.7-65.9155-109.300115.4
502C41.7Very low38.4Very low79 Ų79140.8 Ų140.853%0.53476%0.759SS.*THydrogen-bonded Turntrans-109.86.3176.2-40.70000113.2Q165 S500 A504Q165-C502 PolarHBondContact NE2-SG 3.17Å; Q165-C502 PolarHBondContact OE1-SG 3.29Å; Q165-C502 VanDerWaalsContact OE1-SG 3.34Å; S500-C502 PolarHBondContact O-N 3.29Å; C502-A504 PolarHBondContact O-N 3.02Å
503S38.3Very low38.2Very low55 Ų55140 Ų14039%0.38574%0.742SS.*  trans-60.9132.9172-176.10000110.2S500 F505S500-S503 WeakPolarHBondContact O-CB 3.29Å; S500-S503 PolarHBondContact O-N 3.48Å; S503-F505 PolarHBondContact O-N 2.71Å
504A36Very low38.3Very low97 Ų97135.1 Ų135.180%0.80273%0.733SS**SBendtrans-73.931.5-170.600000115C502C502-A504 PolarHBondContact O-N 3.02Å
505F34.8Very low38.3Very low185 Ų185134.4 Ų134.481%0.81173%0.725SS**  trans-131.434.5-172.6-69.6-77.2000113.2S503S503-F505 PolarHBondContact O-N 2.71Å
506L36.1Very low38.4Very low139 Ų139134.5 Ų134.573%0.72873%0.725SS**SBendtrans-127.4142.1166.9-72.8177.3000111.6V508L506-V508 PolarHBondContact O-N 3.04Å
507P32.2Very low38.2Very low110 Ų110134.9 Ų134.971%0.71472%0.72SS**  trans-81.7110.9-174.431.5-33.7000111.7K509P507-K509 PolarHBondContact O-N 2.99Å; P507-K509 VanDerWaalsContact O-N 3.07Å
508V40.1Very low37.7Very low148 Ų148134 Ų13490%0.89771%0.711SS**  trans-67.3107.4170.5-177.50000109L506L506-V508 PolarHBondContact O-N 3.04Å
509K37.6Very low37.5Very low174 Ų174135.1 Ų135.176%0.75772%0.716SS**  trans-65.5135.6-178.2-62.8176.6-178.8175.80110.7P507 T511P507-K509 PolarHBondContact O-N 2.99Å; P507-K509 VanDerWaalsContact O-N 3.07Å; K509-T511 HydrophobicContact CB-CG2 4.29Å; K509-T511 PolarHBondContact O-N 3.13Å; K509-T511 VanDerWaalsContact O-N 3.13Å
510S32.8Very low37Very low122 Ų122138.1 Ų138.185%0.85372%0.72SS**  trans-80.387.4171.8171.80000110.9
511T35.9Very low36.7Very low108 Ų108139.3 Ų139.366%0.66373%0.728SS**  trans-105.679.4175.551.80000111.7K509 Q513K509-T511 HydrophobicContact CB-CG2 4.29Å; K509-T511 PolarHBondContact O-N 3.13Å; K509-T511 VanDerWaalsContact O-N 3.13Å; T511-Q513 VanDerWaalsContact C-N 3.3Å; T511-Q513 PolarHBondContact O-N 3.31Å
512R38.9Very low36.3Very low250 Ų250136.3 Ų136.394%0.94372%0.722SS**  trans-91.567.9159.3-79.3-169.3174.5-170.1-1.5109.9
513Q33.1Very low35.9Very low99 Ų99138 Ų13846%0.46374%0.735SS.*  trans-133.6106.9165-71.8-164.9-60.700108.9F175 L176 T511F175-Q513 PolarHBondContact O-NE2 3.33Å; F175-Q513 PolarHBondContact O-OE1 3.13Å; L176-Q513 PolarHBondContact O-NE2 2.82Å; T511-Q513 VanDerWaalsContact C-N 3.3Å; T511-Q513 PolarHBondContact O-N 3.31Å
514L40.4Very low35.9Very low126 Ų126141 Ų14166%0.6675%0.753SS**  trans-143117.2155.9-90.5179.8000106.8
515D33.9Very low35.9Very low108 Ų108141.8 Ų141.858%0.57875%0.75SS**  trans-70.2130.8179-142.5-19.1000108.9K517D515-K517 IonicContact OD1-NZ 3.55Å; D515-K517 IonicContact OD2-NZ 2.82Å; D515-K517 PolarHBondContact OD2-NZ 3.37Å
516H40.1Very low35.9Very low180 Ų180138.3 Ų138.383%0.83375%0.747SS**  trans-123.853171.8-87.314.5000110.5
517K36.3Very low36Very low147 Ų147139.8 Ų139.864%0.63976%0.755SS**  trans-66.3155.3151.1-67.3171.6-171.6122.60109.3D515D515-K517 IonicContact OD1-NZ 3.55Å; D515-K517 IonicContact OD2-NZ 2.82Å; D515-K517 PolarHBondContact OD2-NZ 3.37Å
518H32.6Very low36.2Very low162 Ų162150 Ų15075%0.7578%0.779SS**  trans60.776.9173.7-64.9-78.9000117.6
519I40.5Very low36Very low161 Ų161150.1 Ų150.183%0.82677%0.774SS**  trans-125.685.7130.5-54.6-178000108.7
520H31.5Very low35.9Very low172 Ų172148.8 Ų148.880%0.79677%0.774SS**  trans-77.3120.5156.9-85.5-97.8000107.8
521C34.6Very low36.1Very low111 Ų111150.3 Ų150.375%0.7577%0.77SS**  trans-148.792.1163.4-99.90000112.5
522V35.4Very low36.1Very low129 Ų129152.8 Ų152.878%0.78278%0.776SS**  trans40.1106.5137-170.70000118.1P524V522-P524 WeakPolarHBondContact O-CD 3.47Å
523S31.9Very low35.9Very low116 Ų116146.8 Ų146.881%0.81177%0.766SS**  trans-76.2127.2159.9-38.30000111.4
524P38.4Very low36.1Very low117 Ų117149.9 Ų149.976%0.7679%0.786SS**  trans-80.1158.9164.1-1331000112V522V522-P524 WeakPolarHBondContact O-CD 3.47Å
525P37.2Very low35.8Very low113 Ų113151.6 Ų151.673%0.73480%0.795SS**  trans-111.2176-161.342.2-36.8000116.5
526C33.9Very low35.9Very low112 Ų112155 Ų15576%0.75781%0.812SS**  trans76123.9160.4-57.50000119.1
527L38.6Very low35.6Very low171 Ų171152.9 Ų152.990%0.89581%0.81SS**  174.175.1103.7-90.3175.1000113.7
528R36.2Very low35.5Very low324 Ų324153.5 Ų153.5100%1.22383%0.826SS**  trans-167.90135.7-114.2175-177.2160.82.6111.5

Retrieved 528 of 528 residues in 80.1 ms (Link to these results)