A0A077YYA7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYA7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 291 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26Very low24.5Very low237 Ų237145.4 Ų145.4100%1.16784%0.844SS**  0107.70-58-178.8-163.100107.3
2P25.6Very low24.6Very low125 Ų125139.1 Ų139.181%0.81283%0.833SS**  trans-77.2128.7170.529-24.4000108.8E4P2-E4 PolarHBondContact O-N 3.04Å
3L23.7Very low24.5Very low177 Ų177139.5 Ų139.593%0.92783%0.829SS**  trans-69.3107.6174.1-84.8152.6000108.8G5L3-G5 PolarHBondContact O-N 3.3Å
4E22.2Very low24.6Very low184 Ų184146.8 Ų146.886%0.8684%0.835SS**  trans-60.1114164.3-67178.1152.400109.2P2P2-E4 PolarHBondContact O-N 3.04Å
5G25.8Very low24.6Very low59 Ų59149.1 Ų149.161%0.60884%0.836SS**  trans-108.3101.8166.900000108.6L3 F7L3-G5 PolarHBondContact O-N 3.3Å; G5-F7 PolarHBondContact O-N 3.45Å
6N24.5Very low24.6Very low146 Ų146152.1 Ų152.178%0.78183%0.83SS**  trans-51.4105.8-180-74.5-34.3000112.1L8N6-L8 PolarHBondContact O-N 3.47Å
7F25.4Very low24.7Very low195 Ų195148.9 Ų148.986%0.85583%0.829SS**  trans-73101.3157.2-73.6-86.3000107.3G5 T9G5-F7 PolarHBondContact O-N 3.45Å; F7-T9 VanDerWaalsContact C-N 3.27Å; F7-T9 PolarHBondContact O-N 3.42Å
8L24.3Very low24.7Very low160 Ų160150.6 Ų150.684%0.83882%0.822SS**  trans-66.491169.3-74.7167.6000108.6N6 G10N6-L8 PolarHBondContact O-N 3.47Å; L8-G10 PolarHBondContact O-N 3.41Å
9T24.3Very low24.8Very low143 Ų143148.7 Ų148.788%0.87782%0.815SS**  trans-69.682.3164.846.80000108.8F7F7-T9 VanDerWaalsContact C-N 3.27Å; F7-T9 PolarHBondContact O-N 3.42Å
10G24Very low24.9Very low61 Ų61151.1 Ų151.163%0.62982%0.817SS**  trans-108.2105.8170.200000109.8L8 G12L8-G10 PolarHBondContact O-N 3.41Å; G10-G12 PolarHBondContact O-N 3.27Å
11A24.3Very low25Very low112 Ų112147.9 Ų147.993%0.92680%0.799SS**THydrogen-bonded Turntrans-60.9116.1172.100000110.1
12G24.9Very low24.9Very low70 Ų70140.8 Ų140.872%0.72277%0.772SS**THydrogen-bonded Turntrans129.1-19.6160.500000118G10G10-G12 PolarHBondContact O-N 3.27Å
13D24.2Very low25Very low144 Ų144138.6 Ų138.677%0.7776%0.757SS**  trans-104114.6-168.9-71.7-31.7000113.7Q15D13-Q15 PolarHBondContact O-N 3.08Å
14R25.3Very low25.1Very low242 Ų242134 Ų13491%0.91374%0.736SS**  trans-62.889.8172-70.3174.6170.5165.8-4.1110.2R16R14-R16 PolarHBondContact O-N 3.1Å
15Q25Very low25.2Very low182 Ų182131.3 Ų131.385%0.8573%0.728SS**  trans-73.3114.6172-66.6-171.8-1.300110.1D13D13-Q15 PolarHBondContact O-N 3.08Å
16R25Very low25.4Very low196 Ų196134.4 Ų134.474%0.7473%0.73SS**  trans-90.7114.3174-67.6-179.5170.8-160-1.5108.9R14 Y18R14-R16 PolarHBondContact O-N 3.1Å; R16-Y18 HydrophobicContact CB-CD2 4.45Å; R16-Y18 HydrophobicContact CB-CE2 3.86Å; R16-Y18 PolarHBondContact NH1-OH 3.03Å; R16-Y18 VanDerWaalsContact NH1-OH 3.11Å
17A25.3Very low25.5Very low99 Ų99137.7 Ų137.782%0.81873%0.732SS**  trans-94.2124.8165.600000109.1
18Y25.3Very low25.5Very low178 Ų178133.1 Ų133.170%0.69872%0.724SS**  trans-102.7124.7172.2-66.4-89.7000108.3R16R16-Y18 HydrophobicContact CB-CD2 4.45Å; R16-Y18 HydrophobicContact CB-CE2 3.86Å; R16-Y18 PolarHBondContact NH1-OH 3.03Å; R16-Y18 VanDerWaalsContact NH1-OH 3.11Å
19V26.2Very low25.8Very low115 Ų115131.6 Ų131.670%0.69772%0.717SS**  trans-101112.2170.1-178.40000107.5I21V19-I21 HydrophobicContact CG1-CG1 4.31Å; V19-I21 PolarHBondContact O-N 3.19Å
20K26.1Very low26Very low196 Ų196130.8 Ų130.885%0.85271%0.712SS**  trans-78.7110.9171.9-176.5178.5-179.3179.60108
21I26.7Very low26.1Very low85 Ų85133.8 Ų133.844%0.43672%0.72SS.*  trans-92.7102.9171.8-56174.2000106.9V19 V41V19-I21 HydrophobicContact CG1-CG1 4.31Å; V19-I21 PolarHBondContact O-N 3.19Å; I21-V41 HydrophobicContact CD1-CG1 4.37Å
22S25Very low26.3Very low87 Ų87134.8 Ų134.861%0.60872%0.715SS**  trans-88112.1165.160.60000108.4T24S22-T24 PolarHBondContact O-N 2.89Å; S22-T24 VanDerWaalsContact O-N 3.17Å
23T27Very low26.3Very low80 Ų80135 Ų13549%0.49172%0.717SS.*  trans-76.494.7164.142.10000108N25T23-N25 PolarHBondContact O-N 2.77Å
24T25.9Very low26.4Very low80 Ų80136.5 Ų136.549%0.49172%0.722SS.*  trans-77.3112.8157.844.10000106.8S22 D26S22-T24 PolarHBondContact O-N 2.89Å; S22-T24 VanDerWaalsContact O-N 3.17Å; T24-D26 VanDerWaalsContact CB-OD2 3.23Å; T24-D26 WeakPolarHBondContact CB-OD2 3.23Å; T24-D26 PolarHBondContact O-N 2.82Å; T24-D26 PolarHBondContact OG1-OD2 2.88Å
25N25.8Very low26.6Very low128 Ų128132.5 Ų132.568%0.68472%0.719SS**  trans-67.174.6159.3-84.5-21.4000107.2T23 R27T23-N25 PolarHBondContact O-N 2.77Å; N25-R27 PolarHBondContact O-N 3.27Å
26D28.3Very low26.8Very low124 Ų124130.2 Ų130.266%0.66371%0.712SS**  trans-7966.1171.6-70.2-35.8000108.5T24 S28T24-D26 VanDerWaalsContact CB-OD2 3.23Å; T24-D26 WeakPolarHBondContact CB-OD2 3.23Å; T24-D26 PolarHBondContact O-N 2.82Å; T24-D26 PolarHBondContact OG1-OD2 2.88Å; D26-S28 VanDerWaalsContact C-N 3.35Å
27R26.5Very low26.9Very low214 Ų214130.5 Ų130.581%0.80872%0.719SS**  trans-102.965.1154.3-141.6-179.3-160.8167.29.9106.9N25 D29N25-R27 PolarHBondContact O-N 3.27Å; R27-D29 VanDerWaalsContact C-N 3.31Å; R27-D29 PolarHBondContact O-N 3.22Å; R27-D29 VanDerWaalsContact O-N 3.08Å
28S27Very low27Very low99 Ų99130.4 Ų130.469%0.69271%0.712SS**  trans-7587.9167.359.60000108.3D26D26-S28 VanDerWaalsContact C-N 3.35Å
29D28.9Very low27.1Very low129 Ų129125.3 Ų125.369%0.6971%0.707SS**  trans-161.355158-94.3-20.1000109.4R27R27-D29 VanDerWaalsContact C-N 3.31Å; R27-D29 PolarHBondContact O-N 3.22Å; R27-D29 VanDerWaalsContact O-N 3.08Å
30T29.4Very low27.1Very low126 Ų126126.6 Ų126.677%0.77371%0.71SS**  trans-170.8136.8142.727.10000110.7T32T30-T32 PolarHBondContact O-N 3.04Å
31P25.8Very low27.2Very low124 Ų124120.8 Ų120.881%0.80569%0.691SS**  trans-87106.4177.933-27.1000109.3
32T28.1Very low27.2Very low132 Ų132123.9 Ų123.981%0.8171%0.706SS**  trans-170.9125.6154.134.90000109.1T30T30-T32 PolarHBondContact O-N 3.04Å
33G25.5Very low27.5Very low75 Ų75124.2 Ų124.277%0.77371%0.705SS**  trans-56.8135-173.200000114.1
34M26.8Very low27.6Very low175 Ų175124.5 Ų124.586%0.86271%0.708SS**  trans-164.796.7156.2-104178.6-121.400107.8N36M34-N36 PolarHBondContact O-N 2.78Å
35D29.3Very low27.8Very low159 Ų159126.3 Ų126.385%0.8572%0.721SS**  trans12.588.2152.5-43.8-25.2000117.4K37D35-K37 PolarHBondContact O-N 3.47Å
36N29.3Very low28.1Very low133 Ų133126.1 Ų126.171%0.71172%0.719SS**  trans-69.197.5167.7-85.1-31.3000110.3M34 S38M34-N36 PolarHBondContact O-N 2.78Å; N36-S38 PolarHBondContact O-N 3.43Å
37K26.7Very low28.1Very low203 Ų203128.8 Ų128.888%0.88373%0.728SS**  trans-71104.6162-73.5-177.2179.2177.20109D35 A39D35-K37 PolarHBondContact O-N 3.47Å; K37-A39 PolarHBondContact O-N 3.38Å
38S27.4Very low28.2Very low97 Ų97128 Ų12868%0.67873%0.726SS**  trans-60.7122.616939.40000110.7N36N36-S38 PolarHBondContact O-N 3.43Å
39A27.3Very low28.2Very low70 Ų70126.4 Ų126.458%0.57972%0.715SS**  trans-84.5113.7169.500000109.1K37 V41K37-A39 PolarHBondContact O-N 3.38Å; A39-V41 PolarHBondContact O-N 2.8Å; A39-V41 VanDerWaalsContact O-N 3.14Å
40D26.2Very low28.3Very low143 Ų143127.9 Ų127.977%0.76572%0.723SS**  trans-66.7106.4173.8-77.6-36.5000110.1I42D40-I42 PolarHBondContact O-N 2.75Å
41V29.3Very low28.1Very low74 Ų74129.6 Ų129.645%0.44872%0.717SS.*  trans-80.298.3169-179.70000108.2I21 A39 T43I21-V41 HydrophobicContact CD1-CG1 4.37Å; A39-V41 PolarHBondContact O-N 2.8Å; A39-V41 VanDerWaalsContact O-N 3.14Å; V41-T43 PolarHBondContact O-N 3.44Å
42I25.9Very low28.3Very low150 Ų150125.6 Ų125.677%0.76970%0.698SS**  trans-82.3100.7173.1-57.5174.4000108.3D40D40-I42 PolarHBondContact O-N 2.75Å
43T31.6Very low28.3Very low93 Ų93123.8 Ų123.857%0.57169%0.686SS**PPolyproline II helixtrans-75.5126.4169.7-35.70000109.5V41V41-T43 PolarHBondContact O-N 3.44Å
44P29.7Very low28.4Very low86 Ų86123 Ų12356%0.55867%0.668SS**PPolyproline II helixtrans-66.2149.9175.426-32.2000111.2L46P44-L46 PolarHBondContact O-N 3.01Å
45P29.4Very low28.7Very low119 Ų119119.1 Ų119.177%0.77365%0.648SS**PPolyproline II helixtrans-61.6136.5-176.523.7-32.6000112.2E47P45-E47 PolarHBondContact O-N 3.43Å
46L31.4Very low28.6Very low123 Ų123114 Ų11464%0.64462%0.623SS**  trans-66.6110.8168.8-75.4159.7000109P44 Y48P44-L46 PolarHBondContact O-N 3.01Å; L46-Y48 HydrophobicContact CB-CE2 4.12Å; L46-Y48 PolarHBondContact O-N 2.82Å
47E28Very low28.7Very low180 Ų180111.3 Ų111.384%0.84161%0.614SS**  trans-80.9107.4166.6-77.6-174.6157.800109P45 S49P45-E47 PolarHBondContact O-N 3.43Å; E47-S49 PolarHBondContact O-N 3.24Å
48Y29.4Very low28.6Very low197 Ų197105.2 Ų105.277%0.77359%0.594SS**  trans-76.6116166.1-71.7-89.7000108.6L46L46-Y48 HydrophobicContact CB-CE2 4.12Å; L46-Y48 PolarHBondContact O-N 2.82Å
49S26.6Very low28.6Very low67 Ų67104.8 Ų104.847%0.46959%0.587SS.*  trans-98.8138.4165.495.70000108.7E47 Y51 G52E47-S49 PolarHBondContact O-N 3.24Å; S49-Y51 PolarHBondContact O-N 3.17Å; S49-Y51 PolarHBondContact OG-N 3.42Å; S49-G52 PolarHBondContact OG-O 3.41Å
50N30.6Very low28.5Very low159 Ų159107.3 Ų107.385%0.8560%0.595SS**THydrogen-bonded Turntrans-62.78.2176.2-74.4-17.3000114.2
51Y26.9Very low28.5Very low163 Ų163103.3 Ų103.364%0.63958%0.578SS**THydrogen-bonded Turntrans-129.516.5-168.7-61.5-77.1000113.5S49S49-Y51 PolarHBondContact O-N 3.17Å; S49-Y51 PolarHBondContact OG-N 3.42Å
52G28.2Very low28.3Very low39 Ų39104.5 Ų104.540%0.40260%0.596SS.*  trans121152.5-179.100000112.7S49 C54S49-G52 PolarHBondContact OG-O 3.41Å; G52-C54 PolarHBondContact O-N 3.1Å
53V28.9Very low28.3Very low95 Ų95104.5 Ų104.558%0.57660%0.598SS**  trans-85.798.9-178.8-178.50000108.7Q55V53-Q55 HydrophobicContact CG1-CB 4.45Å; V53-Q55 HydrophobicContact CG1-CG 3.92Å; V53-Q55 PolarHBondContact O-N 3.01Å
54C27.3Very low27.9Very low58 Ų58103.3 Ų103.339%0.39259%0.593SS.*  trans-81.888.7161.5-60.30000107.6G52 T56 C96G52-C54 PolarHBondContact O-N 3.1Å; C54-T56 PolarHBondContact O-N 3.2Å; C54-C96 HydrophobicContact CB-CB 4.38Å; C54-C96 WeakPolarHBondContact CB-SG 3.36Å; C54-C96 WeakPolarHBondContact SG-CB 3.38Å; C54-C96 CovalentContact SG-SG 2.08Å; C54-C96 PolarHBondContact SG-SG 3.48Å
55Q32.7Very low27.7Very low94 Ų94104.3 Ų104.344%0.43960%0.597SS.*  trans-67.3121.1167.9-100.4-179.9-500109.1V53V53-Q55 HydrophobicContact CG1-CB 4.45Å; V53-Q55 HydrophobicContact CG1-CG 3.92Å; V53-Q55 PolarHBondContact O-N 3.01Å
56T28.9Very low27.5Very low52 Ų52103.5 Ų103.532%0.31959%0.59SS.*  trans-124.182.6165.236.50000107.6C54 V58 K100 K103C54-T56 PolarHBondContact O-N 3.2Å; T56-V58 PolarHBondContact O-N 3.24Å; T56-K100 HydrophobicContact CG2-CG 4.28Å; T56-K103 PolarHBondContact OG1-NZ 3.01Å
57S30Very low27.2Very low76 Ų76101.6 Ų101.653%0.53159%0.585SS.*  trans-74.9112.3172.3-41.60000107.9
58V25.7Very low27.1Very low74 Ų7498.8 Ų98.845%0.44857%0.574SS.*  trans-93.1104.1166-177.50000105.9T56 T60T56-V58 PolarHBondContact O-N 3.24Å; V58-T60 HydrophobicContact CG1-CG2 4.07Å; V58-T60 PolarHBondContact O-N 3.1Å
59V27.3Very low27Very low88 Ų8896 Ų9653%0.53357%0.568SS.*  trans-82109.1167.1-179.30000106.3S61V59-S61 PolarHBondContact O-N 2.75Å
60T23.9Very low27Very low123 Ų12397.1 Ų97.176%0.75557%0.572SS**  trans-89.279.7165.650.20000108.2V58V58-T60 HydrophobicContact CG1-CG2 4.07Å; V58-T60 PolarHBondContact O-N 3.1Å
61S26.5Very low26.8Very low59 Ų5996.9 Ų96.941%0.41357%0.571SS.*  trans-92.9150.3148.661.90000106.9V59 D63V59-S61 PolarHBondContact O-N 2.75Å; S61-D63 PolarHBondContact O-N 3.18Å
62A26.3Very low26.8Very low99 Ų9992.3 Ų92.382%0.81857%0.567SS**THydrogen-bonded Turntrans-60.2-5.4-174.100000115.1
63D24.5Very low26.8Very low151 Ų15195.7 Ų95.781%0.80758%0.582SS**THydrogen-bonded Turntrans-141.69.3-168.3-72.4-53.3000116.6S61S61-D63 PolarHBondContact O-N 3.18Å
64S24.2Very low26.8Very low68 Ų6899.5 Ų99.548%0.47659%0.593SS.*  trans-165.6114.11789.70000115
65V25.3Very low26.9Very low106 Ų106102.7 Ų102.764%0.64261%0.611SS**  trans-97.8105167.5-179.80000108.3
66V24.4Very low26.7Very low103 Ų103105.2 Ų105.262%0.62463%0.627SS**  trans-112.9113.2172.9-174.70000109.3
67P25.5Very low26.6Very low82 Ų82105.9 Ų105.953%0.53265%0.645SS.*PPolyproline II helixtrans-73.5125.5171.528.1-29.5000110
68I26.9Very low26.5Very low121 Ų121108.2 Ų108.262%0.62166%0.655SS**PPolyproline II helixtrans-99.2128.2172.6-59.4173.2000108.3V70I68-V70 HydrophobicContact CG2-CG2 4.15Å
69E26.7Very low26.6Very low138 Ų138114.5 Ų114.565%0.64568%0.68SS**PPolyproline II helixtrans-89.6130.5166.9-84.2179.6166.800109.9K100E69-K100 IonicContact OE1-NZ 3.74Å; E69-K100 PolarHBondContact OE1-NZ 3.01Å
70V26.7Very low26.6Very low92 Ų92112.9 Ų112.956%0.55868%0.682SS**  trans-124.8108.7168.1-172.90000106I68 A72I68-V70 HydrophobicContact CG2-CG2 4.15Å; V70-A72 PolarHBondContact O-N 2.94Å
71D25.3Very low26.9Very low153 Ų153114.6 Ų114.682%0.81869%0.686SS**PPolyproline II helixtrans-68.8128167.6-79.6-35.6000108.6
72A28.5Very low27.1Very low67 Ų67116.6 Ų116.655%0.55470%0.7SS**PPolyproline II helixtrans-66.5138.5173.900000109V70 E74V70-A72 PolarHBondContact O-N 2.94Å; A72-E74 PolarHBondContact O-N 3.48Å
73P27.4Very low27.6Very low111 Ų111120.2 Ų120.272%0.72171%0.706SS**PPolyproline II helixtrans-59.8130.7173.924.8-31.7000109.4V75P73-V75 PolarHBondContact O-N 3.21Å; P73-V75 VanDerWaalsContact O-N 3.08Å
74E28.4Very low28.2Very low174 Ų174117 Ų11781%0.81370%0.7SS**  trans-54.7115.2162.1-86.8178.6149.400107.5A72 D76A72-E74 PolarHBondContact O-N 3.48Å; E74-D76 PolarHBondContact O-N 3.05Å; E74-D76 VanDerWaalsContact O-N 3.08Å
75V30.4Very low28.8Very low125 Ų125120.5 Ų120.576%0.75871%0.713SS**  trans-84.176.7174.9-153.10000106.6P73 G77P73-V75 PolarHBondContact O-N 3.21Å; P73-V75 VanDerWaalsContact O-N 3.08Å; V75-G77 PolarHBondContact O-N 2.74Å
76D28.5Very low29.2Very low147 Ų147125.2 Ų125.279%0.78673%0.725SS**  trans-75.4114.4166.3-82.2-25.8000108.3E74E74-D76 PolarHBondContact O-N 3.05Å; E74-D76 VanDerWaalsContact O-N 3.08Å
77G25.4Very low29.9Very low67 Ų67127.4 Ų127.469%0.69173%0.726SS**  trans106.675.9167.900000115.5V75V75-G77 PolarHBondContact O-N 2.74Å
78V29Very low30.5Very low124 Ų124132.9 Ų132.975%0.75274%0.742SS**  trans-124.785.1141.4-174.40000106.7G80V78-G80 VanDerWaalsContact C-N 3.34Å; V78-G80 PolarHBondContact O-N 3.45Å
79E28.4Very low31.2Very low206 Ų206135 Ų13596%0.96374%0.742SS**  trans-64.199.3159.1-82.2-172.8147.300107.1
80G27.2Very low32.1Very low55 Ų55132.6 Ų132.657%0.56774%0.738SS**  trans176.287.5-175.900000112.9V78V78-G80 VanDerWaalsContact C-N 3.34Å; V78-G80 PolarHBondContact O-N 3.45Å
81N28.7Very low33.1Very low158 Ų158133.4 Ų133.485%0.84575%0.754SS**  trans68.2116.8160.4-77-18.3000119.5
82S32.1Very low34.2Very low101 Ų101133.4 Ų133.471%0.70675%0.754SS**  trans93.9114.7133.773.90000118A84S82-A84 PolarHBondContact O-N 3.39Å
83D36.1Very low35.1Very low176 Ų176131.9 Ų131.994%0.94174%0.742SS**THydrogen-bonded Turntrans-53.325.3173-75.8-60.3000116.9
84A37.8Very low36Very low83 Ų83129.4 Ų129.469%0.68673%0.726SS**THydrogen-bonded Turntrans-109.1-0.7-166.600000116.1S82S82-A84 PolarHBondContact O-N 3.39Å
85N35.6Very low37Very low142 Ų142123 Ų12376%0.75970%0.7SS**  trans-134.229.2-171.5-119.1-10000117K87N85-K87 PolarHBondContact O-N 3.43Å
86K33.4Very low37.5Very low205 Ų205119.8 Ų119.889%0.89168%0.683SS**  trans-80.864.3162.8-72-178-179.5171.90110.6K88K86-K88 PolarHBondContact O-N 3.28Å
87K39.6Very low38.4Very low148 Ų148119 Ų11964%0.64367%0.674SS**  trans-70.199.7164-83.9-175.5179.3174.60107.9N85 R89N85-K87 PolarHBondContact O-N 3.43Å; K87-R89 PolarHBondContact O-N 3.43Å
88K39.3Very low39.6Very low198 Ų198121.3 Ų121.386%0.86167%0.667SS**  trans-45.9125.5167.2-83.5-178.4174.3-179.70108.6K86K86-K88 PolarHBondContact O-N 3.28Å
89R41.6Very low40.6Very low166 Ų166118.9 Ų118.963%0.62665%0.649SS**  trans-51.2126.9170.8-165.7178.1177.8-169.9-0.5107.8K87 A91 A93K87-R89 PolarHBondContact O-N 3.43Å; R89-A91 PolarHBondContact O-N 3.14Å; R89-A93 HydrophobicContact CG-CB 4.06Å
90P44Very low41.4Very low87 Ų87111.6 Ų111.657%0.56561%0.614SS**  trans-58.7134173.317.1-21.6000107.9D92 A93P90-D92 PolarHBondContact O-N 2.9Å; P90-A93 HydrophobicContact CG-CB 4.2Å; P90-A93 WeakPolarHBondContact O-CB 3.38Å; P90-A93 PolarHBondContact O-N 3.23Å
91A49.4Very low42.5Very low108 Ų108113.4 Ų113.489%0.89361%0.611SS**THydrogen-bonded Turntrans-57.3-16.5-178.500000112.8R89R89-A91 PolarHBondContact O-N 3.14Å
92D48Very low43.6Very low154 Ų154113.8 Ų113.882%0.82461%0.605SS**THydrogen-bonded Turntrans-98.27.2179.1-62.7-44.9000114.9P90 P94P90-D92 PolarHBondContact O-N 2.9Å; D92-P94 WeakPolarHBondContact O-CD 3.33Å
93A46.9Very low44.3Very low35 Ų35114.1 Ų114.129%0.28959%0.593SS.*PPolyproline II helixtrans-72118.2176.200000110.3R89 P90 S95R89-A93 HydrophobicContact CG-CB 4.06Å; P90-A93 HydrophobicContact CG-CB 4.2Å; P90-A93 WeakPolarHBondContact O-CB 3.38Å; P90-A93 PolarHBondContact O-N 3.23Å; A93-S95 PolarHBondContact O-N 3.11Å
94P45.4Very low44.6Very low59 Ų59110.9 Ų110.938%0.38357%0.573SS.*PPolyproline II helixtrans-58.3138.218023.2-31.9000110.4D92 Q98 L99D92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-Q98 VanDerWaalsContact CA-OE1 3.3Å; P94-Q98 HydrophobicContact CB-CB 3.97Å; P94-L99 HydrophobicContact CB-CG 4.26Å; P94-L99 HydrophobicContact CG-CD1 4.3Å; P94-L99 HydrophobicContact CG-CD2 4.35Å; P94-L99 HydrophobicContact CG-CG 4.15Å
95S49.1Very low44.8Very low40 Ų40115.8 Ų115.828%0.2857%0.574SS.*PPolyproline II helixtrans-62.5154.6172.165.10000110.3A93 E97 Q98 L99A93-S95 PolarHBondContact O-N 3.11Å; S95-E97 PolarHBondContact O-N 3.32Å; S95-E97 VanDerWaalsContact O-N 3.12Å; S95-Q98 PolarHBondContact O-N 2.87Å; S95-Q98 WeakPolarHBondContact OG-CG 3.5Å; S95-Q98 PolarHBondContact OG-N 3.03Å; S95-Q98 VanDerWaalsContact OG-N 3.16Å; S95-L99 PolarHBondContact O-N 3.01Å
96C41.7Very low45.3Very low57 Ų57116 Ų11639%0.38557%0.567SS.*Hα-helixtrans-55.8-30.2173.2-71.80000110C54 L99 K100C54-C96 HydrophobicContact CB-CB 4.38Å; C54-C96 WeakPolarHBondContact CB-SG 3.36Å; C54-C96 WeakPolarHBondContact SG-CB 3.38Å; C54-C96 CovalentContact SG-SG 2.08Å; C54-C96 PolarHBondContact SG-SG 3.48Å; C96-L99 PolarHBondContact O-N 3.18Å; C96-K100 VanDerWaalsContact O-CG 3.29Å; C96-K100 WeakPolarHBondContact O-CG 3.33Å; C96-K100 PolarHBondContact O-N 3.25Å
97E48.5Very low45.6Very low130 Ų130109 Ų10961%0.60754%0.542SS*.Hα-helixtrans-61.4-45.7171-75.3-147.2140.300113.5S95 L99 K100 L101S95-E97 PolarHBondContact O-N 3.32Å; S95-E97 VanDerWaalsContact O-N 3.12Å; E97-L99 VanDerWaalsContact C-N 3.29Å; E97-L99 PolarHBondContact O-N 3.28Å; E97-K100 PolarHBondContact O-N 3.23Å; E97-L101 PolarHBondContact O-N 3.48Å
98Q50.4Low45.7Very low116 Ų116108.3 Ų108.354%0.54254%0.541SS..Hα-helixtrans-64.8-33.6177.3-74.3178.71.200112.3P94 S95 K102P94-Q98 VanDerWaalsContact CA-OE1 3.3Å; P94-Q98 HydrophobicContact CB-CB 3.97Å; S95-Q98 PolarHBondContact O-N 2.87Å; S95-Q98 WeakPolarHBondContact OG-CG 3.5Å; S95-Q98 PolarHBondContact OG-N 3.03Å; S95-Q98 VanDerWaalsContact OG-N 3.16Å; Q98-K102 PolarHBondContact O-N 3.11Å; Q98-K102 VanDerWaalsContact O-N 3.13Å
99L49.1Very low46Very low73 Ų73106.5 Ų106.538%0.38253%0.533SS..Hα-helixtrans-69.8-39.1173.9-76.9159.4000112.1P94 S95 C96 E97 K103P94-L99 HydrophobicContact CB-CG 4.26Å; P94-L99 HydrophobicContact CG-CD1 4.3Å; P94-L99 HydrophobicContact CG-CD2 4.35Å; P94-L99 HydrophobicContact CG-CG 4.15Å; S95-L99 PolarHBondContact O-N 3.01Å; C96-L99 PolarHBondContact O-N 3.18Å; E97-L99 VanDerWaalsContact C-N 3.29Å; E97-L99 PolarHBondContact O-N 3.28Å; L99-K103 PolarHBondContact O-N 3.33Å; L99-K103 VanDerWaalsContact O-N 3.1Å
100K46.4Very low46.1Very low52 Ų52104.3 Ų104.323%0.22653%0.53CS..Hα-helixtrans-62.9-48.4173.9-75.6174.8-175.5-179.30111.7T56 E69 C96 E97 K102 K103 Q104T56-K100 HydrophobicContact CG2-CG 4.28Å; E69-K100 IonicContact OE1-NZ 3.74Å; E69-K100 PolarHBondContact OE1-NZ 3.01Å; C96-K100 VanDerWaalsContact O-CG 3.29Å; C96-K100 WeakPolarHBondContact O-CG 3.33Å; C96-K100 PolarHBondContact O-N 3.25Å; E97-K100 PolarHBondContact O-N 3.23Å; K100-K102 PolarHBondContact O-N 3.06Å; K100-K103 PolarHBondContact O-N 2.76Å; K100-Q104 PolarHBondContact O-N 3.11Å
101L49.8Very low45.7Very low93 Ų93105.5 Ų105.549%0.48753%0.528SS..Hα-helixtrans-61.5-39.5178-89.6148.8000112.8E97 R105E97-L101 PolarHBondContact O-N 3.48Å; L101-R105 WeakPolarHBondContact O-CB 3.05Å; L101-R105 WeakPolarHBondContact O-CG 3.43Å; L101-R105 PolarHBondContact O-N 3.25Å
102K51Low45.2Very low166 Ų166104.4 Ų104.472%0.72251%0.507SS*.Hα-helixtrans-65.9-39.5174.1-93.1-174.8-179.2177.20112.6Q98 K100 K106Q98-K102 PolarHBondContact O-N 3.11Å; Q98-K102 VanDerWaalsContact O-N 3.13Å; K100-K102 PolarHBondContact O-N 3.06Å; K102-K106 PolarHBondContact O-N 3.27Å
103K47.9Very low45Very low108 Ų108104.2 Ų104.247%0.4750%0.501SS..Hα-helixtrans-72.5-42.8178.8-79.7-174.4179.6-177.30112.3T56 L99 K100 R105 K106 V107T56-K103 PolarHBondContact OG1-NZ 3.01Å; L99-K103 PolarHBondContact O-N 3.33Å; L99-K103 VanDerWaalsContact O-N 3.1Å; K100-K103 PolarHBondContact O-N 2.76Å; K103-R105 VanDerWaalsContact C-N 3.35Å; K103-R105 PolarHBondContact O-N 3.18Å; K103-K106 WeakPolarHBondContact O-CB 3.5Å; K103-K106 PolarHBondContact O-N 2.8Å; K103-V107 WeakPolarHBondContact O-CG2 3.33Å; K103-V107 PolarHBondContact O-N 3.11Å
104Q40.9Very low44.5Very low108 Ų108105 Ų10551%0.50551%0.508SS..Hα-helixtrans-60-42.2175.6-75.8-175.8-700112.1K100 K106 V107 H108K100-Q104 PolarHBondContact O-N 3.11Å; Q104-K106 PolarHBondContact O-N 3.43Å; Q104-V107 PolarHBondContact O-N 3.36Å; Q104-H108 WeakPolarHBondContact O-CB 3.37Å; Q104-H108 PolarHBondContact O-N 2.99Å
105R43.8Very low44.1Very low187 Ų187106.1 Ų106.171%0.70651%0.51SS*.Hα-helixtrans-62.9-27.1174.5-76.5179.8170.1-168.7-2113.6L101 K103 K109L101-R105 WeakPolarHBondContact O-CB 3.05Å; L101-R105 WeakPolarHBondContact O-CG 3.43Å; L101-R105 PolarHBondContact O-N 3.25Å; K103-R105 VanDerWaalsContact C-N 3.35Å; K103-R105 PolarHBondContact O-N 3.18Å; R105-K109 PolarHBondContact O-N 2.98Å
106K45.9Very low43.6Very low145 Ų145112 Ų11263%0.6353%0.531SS*.Hα-helixtrans-81-38.5178.2-159.3174.6-177.9-1780111.8K102 K103 Q104 Q110K102-K106 PolarHBondContact O-N 3.27Å; K103-K106 WeakPolarHBondContact O-CB 3.5Å; K103-K106 PolarHBondContact O-N 2.8Å; Q104-K106 PolarHBondContact O-N 3.43Å; K106-Q110 PolarHBondContact O-N 2.9Å
107V38.8Very low43.3Very low58 Ų58111.4 Ų111.435%0.35254%0.535SS..Hα-helixtrans-69.1-41.9175.6177.50000111.2K103 Q104 K109 Q110 H111K103-V107 WeakPolarHBondContact O-CG2 3.33Å; K103-V107 PolarHBondContact O-N 3.11Å; Q104-V107 PolarHBondContact O-N 3.36Å; V107-K109 PolarHBondContact O-N 3.11Å; V107-Q110 PolarHBondContact O-N 2.81Å; V107-H111 PolarHBondContact O-N 2.87Å
108H41.2Very low42.5Very low134 Ų134110.9 Ų110.962%0.6254%0.535SS*.Hα-helixtrans-63.6-39.5178.1-143.269000112.3Q104 Q110 H111 D112Q104-H108 WeakPolarHBondContact O-CB 3.37Å; Q104-H108 PolarHBondContact O-N 2.99Å; H108-Q110 VanDerWaalsContact C-N 3.34Å; H108-Q110 PolarHBondContact O-N 2.97Å; H108-H111 PolarHBondContact O-N 3.28Å; H108-D112 PolarHBondContact O-N 2.69Å
109K46.1Very low41.7Very low160 Ų160110.6 Ų110.670%0.69655%0.546SS*.Hα-helixtrans-65.4-31.9174.2-83.7-173.9174.8-174.20113.9R105 V107 Q113R105-K109 PolarHBondContact O-N 2.98Å; V107-K109 PolarHBondContact O-N 3.11Å; K109-Q113 PolarHBondContact O-N 3.23Å
110Q44.4Very low40.8Very low121 Ų121118 Ų11857%0.56557%0.569SS**Hα-helixtrans-76.7-36.6175.9-75.7-178.7-22.800111.8K106 V107 H108 Q113 A114K106-Q110 PolarHBondContact O-N 2.9Å; V107-Q110 PolarHBondContact O-N 2.81Å; H108-Q110 VanDerWaalsContact C-N 3.34Å; H108-Q110 PolarHBondContact O-N 2.97Å; Q110-Q113 PolarHBondContact O-N 3.37Å; Q110-A114 PolarHBondContact O-N 2.9Å
111H34.8Very low40Very low112 Ų112123.5 Ų123.552%0.51960%0.596SS.*Hα-helixtrans-67.6-39.2176.5-143.2-89.2000112.2V107 H108 Q113 A114 N115V107-H111 PolarHBondContact O-N 2.87Å; H108-H111 PolarHBondContact O-N 3.28Å; H111-Q113 VanDerWaalsContact C-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.09Å; H111-A114 PolarHBondContact O-N 3.5Å; H111-N115 PolarHBondContact ND1-ND2 3.21Å; H111-N115 WeakPolarHBondContact O-CB 3.44Å; H111-N115 PolarHBondContact O-N 3.44Å
112D39Very low38.9Very low84 Ų84125.5 Ų125.545%0.44961%0.611SS.*Hα-helixtrans-67.3-30.3174.5-84.4-21.2000113.4H108 K116H108-D112 PolarHBondContact O-N 2.69Å; D112-K116 WeakPolarHBondContact O-CB 3.19Å; D112-K116 VanDerWaalsContact O-CG 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.11Å; D112-K116 PolarHBondContact O-N 3.44Å
113Q44.1Very low37.8Very low151 Ų151127 Ų12771%0.70662%0.618SS**Hα-helixtrans-75.1-37.2173.2-84.8-178.9-26.700112.1K109 Q110 H111 G117K109-Q113 PolarHBondContact O-N 3.23Å; Q110-Q113 PolarHBondContact O-N 3.37Å; H111-Q113 VanDerWaalsContact C-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.09Å; Q113-G117 PolarHBondContact O-N 3.17Å
114A35.4Very low36.7Very low52 Ų52126.5 Ų126.543%0.4363%0.628SS.*Hα-helixtrans-68.5-43.1175.900000112.4Q110 H111 K116 G117 L118Q110-A114 PolarHBondContact O-N 2.9Å; H111-A114 PolarHBondContact O-N 3.5Å; A114-K116 PolarHBondContact O-N 3.45Å; A114-G117 PolarHBondContact O-N 2.89Å; A114-G117 VanDerWaalsContact O-N 3.13Å; A114-L118 PolarHBondContact O-N 3.04Å
115N37.5Very low36Very low82 Ų82130 Ų13044%0.43965%0.645SS.*Hα-helixtrans-71.3-26.2179.9-81.6-12.8000113.9H111 G117 S119H111-N115 PolarHBondContact ND1-ND2 3.21Å; H111-N115 WeakPolarHBondContact O-CB 3.44Å; H111-N115 PolarHBondContact O-N 3.44Å; N115-G117 VanDerWaalsContact C-N 3.29Å; N115-S119 PolarHBondContact O-N 3.13Å
116K38.7Very low35.2Very low162 Ų162127 Ų12770%0.70465%0.652SS**Hα-helixtrans-72.2-21.7170.8-77.8178.1-178.4177.40113.3D112 A114D112-K116 WeakPolarHBondContact O-CB 3.19Å; D112-K116 VanDerWaalsContact O-CG 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.11Å; D112-K116 PolarHBondContact O-N 3.44Å; A114-K116 PolarHBondContact O-N 3.45Å
117G36.2Very low34.2Very low46 Ų46131.3 Ų131.347%0.47467%0.666SS.*Hα-helixtrans-80.5-39.7173.200000113.4Q113 A114 N115Q113-G117 PolarHBondContact O-N 3.17Å; A114-G117 PolarHBondContact O-N 2.89Å; A114-G117 VanDerWaalsContact O-N 3.13Å; N115-G117 VanDerWaalsContact C-N 3.29Å
118L31.9Very low33.5Very low118 Ų118131.9 Ų131.962%0.61868%0.683SS**Hα-helixtrans-75.5-29.2-177.5-88.1134.2000114.4A114 R120 Q121A114-L118 PolarHBondContact O-N 3.04Å; L118-R120 PolarHBondContact O-N 2.88Å; L118-R120 VanDerWaalsContact O-N 3.17Å; L118-Q121 PolarHBondContact O-N 2.96Å
119S32.7Very low32.7Very low110 Ų110133.3 Ų133.377%0.76969%0.69SS**THydrogen-bonded Turntrans-70-5.6176.5-910000115.1N115N115-S119 PolarHBondContact O-N 3.13Å
120R30.2Very low31.6Very low228 Ų228134.5 Ų134.586%0.8670%0.698SS**THydrogen-bonded Turntrans-99.9-0.9178.9-75.9-174.1174.6-166.8-1.5114.5L118L118-R120 PolarHBondContact O-N 2.88Å; L118-R120 VanDerWaalsContact O-N 3.17Å
121Q29.4Very low30.7Very low169 Ų169139.3 Ų139.379%0.7971%0.712SS**SBendtrans-118.54.3-171.3-121.8175-13.600115.8L118L118-Q121 PolarHBondContact O-N 2.96Å
122V27.2Very low30.1Very low134 Ų134140 Ų14081%0.81272%0.724SS**  trans-112.967.2174-1670000109.4
123K27.2Very low29.6Very low197 Ų197141.5 Ų141.586%0.85774%0.736SS**  trans-145.362.3173.8-88.2-167.4177.6-178.50110.3
124S25.7Very low28.7Very low98 Ų98140.7 Ų140.769%0.68575%0.747SS**SBendtrans-177.7142.5160.646.90000108.3
125E25.8Very low28.5Very low183 Ų183142.6 Ų142.686%0.85576%0.757SS**  trans83.675.4165.5-56171.1-176.500117.1
126S26.7Very low28Very low122 Ų122142.8 Ų142.885%0.85378%0.778SS**  -155.5118.4119510000110.6
127Y25.3Very low27.3Very low237 Ų237145.8 Ų145.893%0.92979%0.785SS**  trans-66.5141.9176.6-98.4-111.8000111.2
128G22.8Very low26.8Very low70 Ų70149.5 Ų149.572%0.72280%0.801SS**  trans-73.9153.2-173.600000115.4
129Q25Very low26.6Very low164 Ų164151.6 Ų151.677%0.76681%0.805SS**  trans-137.6104.2144.5-73.8-159.614.200108.7
130Q24.1Very low26.3Very low185 Ų185152.7 Ų152.786%0.86481%0.807SS**  trans-81.5120168-103.2173.8-21.100108.4
131W25Very low26.2Very low222 Ų222148.1 Ų148.184%0.84180%0.795SS**  trans-93.7107.4163-71.689.2000108.5
132V22.6Very low26.1Very low127 Ų127148.4 Ų148.477%0.7780%0.796SS**  trans-86.9115.1172.5176.80000107.8
133T27.6Very low26.1Very low115 Ų115147.8 Ų147.871%0.70679%0.789SS**  trans-86.3136.4170.748.80000110.9S135T133-S135 PolarHBondContact O-N 2.82Å
134S26.3Very low26.1Very low134 Ų134142.5 Ų142.594%0.93779%0.79SS**SBendtrans-70.426.3-167.755.60000117.1
135S31.2Very low26.3Very low91 Ų91141.9 Ų141.964%0.63678%0.782SS**  trans-12484174.660.70000109.2T133 R137T133-S135 PolarHBondContact O-N 2.82Å; S135-R137 PolarHBondContact O-N 3.4Å
136G26.3Very low26.5Very low86 Ų86139.6 Ų139.689%0.88777%0.774SS**  trans-64.966.1-17500000115.4
137R25Very low26.7Very low225 Ų225141.2 Ų141.285%0.84977%0.768SS**  trans-127.6119.7165.5-72.2-171178.5-167.80.3109.8S135 K139S135-R137 PolarHBondContact O-N 3.4Å; R137-K139 PolarHBondContact O-N 3.16Å
138P25.4Very low27Very low125 Ų125132.9 Ų132.981%0.81275%0.745SS**  trans-71.8100.8172.329.1-29.1000107.7V140P138-V140 PolarHBondContact O-N 3.41Å
139K27.4Very low27.4Very low162 Ų162133.9 Ų133.970%0.70474%0.737SS**  trans-78.698.2167.9-126.2-170.1-179.9-159.70107.4R137 E141R137-K139 PolarHBondContact O-N 3.16Å; K139-E141 HydrophobicContact CD-CG 4.41Å; K139-E141 WeakPolarHBondContact CE-OE1 3.35Å; K139-E141 IonicContact NZ-OE1 2.68Å; K139-E141 PolarHBondContact NZ-OE1 3.36Å; K139-E141 IonicContact NZ-OE2 2.69Å; K139-E141 PolarHBondContact O-N 3.16Å; K139-E141 VanDerWaalsContact O-N 3.09Å
140V25.7Very low27.7Very low133 Ų133131.2 Ų131.281%0.80673%0.727SS**  trans-71.286.6160.3179.60000106P138P138-V140 PolarHBondContact O-N 3.41Å
141E28.5Very low28.1Very low131 Ų131131 Ų13161%0.61272%0.719SS**  trans-95.398.8164.5-98.6171.2-179.700107.5K139 D143K139-E141 HydrophobicContact CD-CG 4.41Å; K139-E141 WeakPolarHBondContact CE-OE1 3.35Å; K139-E141 IonicContact NZ-OE1 2.68Å; K139-E141 PolarHBondContact NZ-OE1 3.36Å; K139-E141 IonicContact NZ-OE2 2.69Å; K139-E141 PolarHBondContact O-N 3.16Å; K139-E141 VanDerWaalsContact O-N 3.09Å; E141-D143 PolarHBondContact O-N 3.25Å; E141-D143 VanDerWaalsContact O-N 3.16Å
142Q27.8Very low28.5Very low175 Ų175129.1 Ų129.182%0.81871%0.711SS**  trans-50.4108150.6-74.7173.5-3900107.2
143D27.5Very low29.1Very low122 Ų122127.9 Ų127.965%0.65270%0.699SS**  trans-172.566.4164.5-91.1-27000109.8E141E141-D143 PolarHBondContact O-N 3.25Å; E141-D143 VanDerWaalsContact O-N 3.16Å
144G27.4Very low29.3Very low85 Ų85129 Ų12988%0.87669%0.691SS**  trans-98.520.2-178.400000114.6
145T29.1Very low29.7Very low85 Ų85128 Ų12852%0.52167%0.671SS.*  trans-78136.5177.332.30000110.8E147 S148T145-E147 PolarHBondContact O-N 3.45Å; T145-S148 PolarHBondContact O-N 3.02Å; T145-S148 VanDerWaalsContact O-N 3.11Å; T145-S148 PolarHBondContact O-OG 3.18Å
146I29.6Very low29.9Very low136 Ų136130.2 Ų130.270%0.69767%0.672SS**Hα-helixtrans-45.2-21.1179.1-69.5163.9000113.7L150I146-L150 HydrophobicContact CG2-CD1 3.91Å; I146-L150 PolarHBondContact O-N 3.33Å
147E31.4Very low30.1Very low155 Ų155129.7 Ų129.772%0.72465%0.654SS**Hα-helixtrans-71-31.6180-70.4-173.2137.600115.3T145 R151T145-E147 PolarHBondContact O-N 3.45Å; E147-R151 PolarHBondContact O-N 3.35Å
148S30.7Very low30.4Very low63 Ų63123 Ų12344%0.44164%0.642SS.*Hα-helixtrans-74.3-29.7-17965.20000112.5T145T145-S148 PolarHBondContact O-N 3.02Å; T145-S148 VanDerWaalsContact O-N 3.11Å; T145-S148 PolarHBondContact O-OG 3.18Å
149T31.4Very low30.6Very low90 Ų90123.6 Ų123.655%0.55264%0.638SS**Hα-helixtrans-75.8-33.9177-51.30000111.3I153T149-I153 HydrophobicContact CG2-CD1 4.37Å; T149-I153 WeakPolarHBondContact O-CD1 3.41Å; T149-I153 WeakPolarHBondContact O-CG1 3.18Å
150L30.9Very low30.7Very low108 Ų108121 Ų12157%0.56564%0.64SS**Hα-helixtrans-74-27.8176.9-74.4167000113.3I146 R154I146-L150 HydrophobicContact CG2-CD1 3.91Å; I146-L150 PolarHBondContact O-N 3.33Å; L150-R154 PolarHBondContact O-N 3.39Å
151R33.3Very low30.8Very low181 Ų181122.5 Ų122.568%0.68364%0.638SS**Hα-helixtrans-74.2-36.8178.4-150.1175.4-167.1168.35.8112.7E147 R154 E155E147-R151 PolarHBondContact O-N 3.35Å; R151-R154 PolarHBondContact O-N 3.46Å; R151-E155 PolarHBondContact O-N 2.95Å
152R34.6Very low30.6Very low183 Ų183124.1 Ų124.169%0.69165%0.65SS**Hα-helixtrans-67.6-39.2178.2-150.6175.4-165.9176.55.2112.9R154 E155 E156R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 3.33Å; R152-E155 PolarHBondContact O-N 3.34Å; R152-E156 WeakPolarHBondContact O-CG 3.33Å; R152-E156 PolarHBondContact O-N 3.28Å
153I33.5Very low30.5Very low101 Ų101119 Ų11952%0.51864%0.644SS.*Hα-helixtrans-68-28.2176.5-63.9168.5000111.5T149 S157T149-I153 HydrophobicContact CG2-CD1 4.37Å; T149-I153 WeakPolarHBondContact O-CD1 3.41Å; T149-I153 WeakPolarHBondContact O-CG1 3.18Å; I153-S157 PolarHBondContact O-OG 3.5Å
154R32.3Very low30.5Very low139 Ų139120.3 Ų120.353%0.52566%0.656SS.*Hα-helixtrans-80.4-31-179.5-156.4172.3-148.8-179.52.9113.5L150 R151 R152L150-R154 PolarHBondContact O-N 3.39Å; R151-R154 PolarHBondContact O-N 3.46Å; R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 3.33Å
155E35.1Very low30.4Very low112 Ų112124 Ų12452%0.52365%0.651SS.*Hα-helixtrans-83.7-30.1179.2-72.5171.7-177.400112.4R151 R152 S157 S158R151-E155 PolarHBondContact O-N 2.95Å; R152-E155 PolarHBondContact O-N 3.34Å; E155-S157 VanDerWaalsContact C-N 3.28Å; E155-S157 PolarHBondContact O-N 3.5Å; E155-S158 PolarHBondContact O-N 3.22Å; E155-S158 PolarHBondContact O-OG 2.84Å
156E34.9Very low30.2Very low138 Ų138126 Ų12665%0.64567%0.666SS**Hα-helixtrans-73.6-17.6173.9-72.3176.9-177.100113.5R152R152-E156 WeakPolarHBondContact O-CG 3.33Å; R152-E156 PolarHBondContact O-N 3.28Å
157S31.3Very low29.8Very low74 Ų74124.7 Ų124.752%0.51766%0.664SS.*THydrogen-bonded Turntrans-86.7-7177.3-56.80000113.8I153 E155I153-S157 PolarHBondContact O-OG 3.5Å; E155-S157 VanDerWaalsContact C-N 3.28Å; E155-S157 PolarHBondContact O-N 3.5Å
158S31.4Very low29.5Very low86 Ų86125.5 Ų125.560%0.60167%0.672SS**SBendtrans-109.82.2-174.154.20000115.4E155E155-S158 PolarHBondContact O-N 3.22Å; E155-S158 PolarHBondContact O-OG 2.84Å
159L28.3Very low29.2Very low137 Ų137127 Ų12772%0.71768%0.682SS**  trans-124.171.6-172.9-84.3154.1000111.6
160S29.7Very low28.8Very low107 Ų107131.6 Ų131.675%0.74870%0.698SS**  trans-179.462.8162.927.30000109
161Q27.5Very low28.4Very low165 Ų165131.5 Ų131.577%0.77171%0.706SS**  30.6111.584.7-85-164.223.600115.7
162L25.8Very low28Very low165 Ų165129.9 Ų129.986%0.86472%0.716SS**  trans75.8110.4147.4-70.5144.3000118.8
163G25.2Very low27.4Very low67 Ų67125.5 Ų125.569%0.69173%0.727SS**  trans143.898.9148.500000117.6
164T27.3Very low26.9Very low149 Ų149123.5 Ų123.591%0.91473%0.732SS**  trans69.6112.1143.338.10000121.6
165Q24.5Very low26.3Very low162 Ų162124 Ų12476%0.75775%0.745SS**  trans-69.3168.7156.2-68.5-167800112.1
166P24.9Very low25.7Very low129 Ų129128.3 Ų128.384%0.83877%0.765SS**  -136.4148.4108.933.8-20.7000115.8
167V22.6Very low25.1Very low108 Ų108129 Ų12966%0.65577%0.766SS**  trans-86.4132.7172.3177.80000110.4
168L24.8Very low24.7Very low172 Ų172134.7 Ų134.790%0.90178%0.784SS**  trans-151.699.9154.7-78.2173.8000106.7
169S23.2Very low24.2Very low93 Ų93142.7 Ų142.765%0.6580%0.801SS**  71.695.777.6-174.30000115.8
170Q23Very low23.9Very low187 Ų187144.2 Ų144.287%0.87480%0.802SS**  trans49.5105.2138.8-61.1-174.6-1.300120.2
171S23.4Very low23.6Very low107 Ų107146.7 Ų146.775%0.74881%0.806SS**  -158.9125.5129.170.20000110.6
172V23.9Very low23.5Very low147 Ų147143 Ų14389%0.89180%0.797SS**SBendtrans46.990.7158.4-152.10000118.1
173G23.3Very low23.3Very low90 Ų90144.3 Ų144.393%0.92879%0.791SS**SBendtrans6947.7146.800000117.7
174G21.6Very low23.3Very low60 Ų60148.7 Ų148.762%0.61980%0.797SS**  trans169.7152.4171.400000112.1
175L20.8Very low23.1Very low150 Ų150144.1 Ų144.179%0.78577%0.774SS**  trans97.1110.2175.2-60.8154.3000116.5F177L175-F177 HydrophobicContact CD2-CD2 3.66Å; L175-F177 HydrophobicContact CD2-CE2 3.62Å
176Q22.8Very low23.1Very low202 Ų202142.1 Ų142.194%0.94478%0.775SS**  -144.5112.5123-104.9-172.514.100109.8
177F21.7Very low23.1Very low152 Ų152140.9 Ų140.967%0.66778%0.776SS**  trans-89.5141160-74.8-93.7000108.3L175L175-F177 HydrophobicContact CD2-CD2 3.66Å; L175-F177 HydrophobicContact CD2-CE2 3.62Å
178Q22.9Very low23.1Very low193 Ų193140.4 Ų140.490%0.90278%0.775SS**  trans-170.1113.8142.2-108.2168.42400114.5
179R21.9Very low23.1Very low254 Ų254143.7 Ų143.796%0.95878%0.776SS**  trans40.9141.3144.1-87.9178.6158.3-175.9-7124.1
180K22.2Very low23.2Very low170 Ų170144.8 Ų144.874%0.73978%0.779SS**  trans-90.3143.2-169.2-82.5177.5173.3176.50116.3
181L22.5Very low23.6Very low158 Ų158145.3 Ų145.383%0.82778%0.781SS**  trans74.8158.6142.6-66163.1000120.4
182P24.7Very low24.1Very low89 Ų89145.8 Ų145.858%0.57878%0.78SS**  cis-136.2160.3-3.335-13.8000118.3
183Y22.3Very low24.2Very low192 Ų192142.3 Ų142.375%0.75377%0.774SS**  trans35116146-132.6-96.6000123.9A185Y183-A185 HydrophobicContact CD1-CB 4.43Å; Y183-A185 HydrophobicContact CE1-CB 3.88Å
184I24.2Very low24.3Very low158 Ų158146.5 Ų146.581%0.8177%0.769SS**  trans-139.5114146.3-54179.2000110.4
185A23.6Very low24.6Very low53 Ų53153 Ų15344%0.43878%0.784SS.*  trans-83.3-169.2174.400000112.5Y183Y183-A185 HydrophobicContact CD1-CB 4.43Å; Y183-A185 HydrophobicContact CE1-CB 3.88Å
186P25.3Very low24.8Very low120 Ų120154.2 Ų154.278%0.77979%0.785SS**PPolyproline II helix-88.7154.4-107.136.6-22000113.6P188P186-P188 WeakPolarHBondContact O-CD 3.45Å
187A24.5Very low24.8Very low103 Ų103150.1 Ų150.185%0.85178%0.779SS**PPolyproline II helixtrans-90.4119.6168.200000110.3
188P23.7Very low24.9Very low98 Ų98148.4 Ų148.464%0.63678%0.783SS**PPolyproline II helixtrans-78.2154.7173.433.6-31.4000110.9P186P186-P188 WeakPolarHBondContact O-CD 3.45Å
189W23.3Very low25Very low241 Ų241146.8 Ų146.891%0.91378%0.78SS**  trans-31.7133.3176-3.6-59.9000114.3
190T26Very low25.1Very low117 Ų117142.7 Ų142.772%0.71878%0.777SS**  trans-103.7120.714449.70000108.6T192T190-T192 PolarHBondContact O-N 3.46Å
191Q30.8Very low25.2Very low197 Ų197145.4 Ų145.492%0.92178%0.783SS**SBendtrans-65.616-177.9-145.1170.314.600113.9
192T33.7Very low25.1Very low118 Ų118147.7 Ų147.772%0.72478%0.78SS**SBendtrans-15065.4-163.939.80000109.8T190 Q194T190-T192 PolarHBondContact O-N 3.46Å; T192-Q194 PolarHBondContact O-N 3.4Å
193G27.1Very low25.2Very low74 Ų74149.6 Ų149.676%0.76379%0.79SS**  88.82.6118.700000123.4
194Q25.5Very low25.1Very low177 Ų177145.4 Ų145.483%0.82778%0.781SS**  trans-135.2104.5169.3-72.2-148.6-4.800113.9T192T192-Q194 PolarHBondContact O-N 3.4Å
195Q26.7Very low25.2Very low198 Ų198144.7 Ų144.793%0.92578%0.779SS**  trans-90105.3165.8-153.6179.133.900107.8
196Q24.8Very low25.3Very low174 Ų174148.8 Ų148.881%0.81380%0.799SS**PPolyproline II helixtrans-69130171.6-73.3179.6-19.200109.9
197S24Very low25.2Very low117 Ų117151.8 Ų151.882%0.81880%0.802SS**PPolyproline II helixtrans-63.7137.1174.7-59.30000112.2
198P24Very low25.2Very low116 Ų116153.2 Ų153.275%0.75380%0.803SS**SBendtrans-89.3120.5165.912.94.3000111.2
199L24.1Very low25.1Very low159 Ų159152.3 Ų152.383%0.83281%0.812SS**  trans82.488.6162.1-7886.9000120
200N24.3Very low25Very low168 Ų168145 Ų14590%0.89881%0.811SS**  trans-67114.7142.5-84.7-34.6000109.6
201W24.8Very low24.8Very low227 Ų227143 Ų14386%0.8681%0.814SS**  trans-98.4100.2152.260.6-85.1000107.7
202R20.3Very low24.4Very low205 Ų205142.7 Ų142.777%0.77481%0.812SS**  trans-90.3125.4171.7-150.1-174.8-177.9168.45.3106.6D204R202-D204 IonicContact CZ-OD2 3.1Å; R202-D204 IonicContact NE-OD2 3.81Å; R202-D204 PolarHBondContact NE-OD2 3Å; R202-D204 VanDerWaalsContact NE-OD2 3.1Å; R202-D204 IonicContact NH2-OD2 2.89Å
203T25.3Very low23.8Very low129 Ų129147 Ų14779%0.79182%0.821SS**  trans-142.884.9139.725.90000107.8N205T203-N205 PolarHBondContact O-N 3.31Å
204D21.9Very low23.6Very low105 Ų105147.7 Ų147.756%0.56182%0.82SS**  trans-45.1127.6143.8-70-50.8000107.8R202R202-D204 IonicContact CZ-OD2 3.1Å; R202-D204 IonicContact NE-OD2 3.81Å; R202-D204 PolarHBondContact NE-OD2 3Å; R202-D204 VanDerWaalsContact NE-OD2 3.1Å; R202-D204 IonicContact NH2-OD2 2.89Å
205N26.2Very low23.4Very low143 Ų143143.6 Ų143.677%0.76582%0.817SS**  trans-179.188.5139.5-88.6-16.7000109.1T203 Q207T203-N205 PolarHBondContact O-N 3.31Å; N205-Q207 PolarHBondContact O-N 2.93Å
206T24.8Very low23.2Very low138 Ų138144.9 Ų144.985%0.84781%0.813SS**  trans-16.697.9137.242.40000113.8
207Q24.4Very low23.1Very low183 Ų183144.1 Ų144.186%0.85582%0.815SS**  trans-143.7119153.5-86.1-164.9-21.100110.2N205N205-Q207 PolarHBondContact O-N 2.93Å
208P23.8Very low23.1Very low133 Ų133140.9 Ų140.986%0.86480%0.8SS**  trans-87123.3173.532.3-26.8000110
209G21.4Very low23.2Very low80 Ų80145.5 Ų145.583%0.82580%0.804SS**SBendtrans101.7115.1165.100000116
210G21.1Very low23.3Very low87 Ų87144.1 Ų144.190%0.89780%0.795SS**  trans98.5119.9161.900000114.7
211G21.5Very low23.4Very low76 Ų76139.1 Ų139.178%0.78478%0.783SS**  trans146.470.2165.200000115.7
212Q23.3Very low23.5Very low189 Ų189131.2 Ų131.288%0.88376%0.757SS**  trans43.5113.6141.2-70.2174.3-2.900119.7A214Q212-A214 PolarHBondContact O-N 3.33Å
213F21.4Very low23.9Very low208 Ų208125.2 Ų125.291%0.91274%0.744SS**  trans-46.8120.4150.5-68.3-99000111.3
214A22.1Very low23.9Very low90 Ų90131.6 Ų131.674%0.74475%0.754SS**  trans-144.8113.5163.200000109.5Q212 W216Q212-A214 PolarHBondContact O-N 3.33Å; A214-W216 PolarHBondContact O-N 3.01Å
215A21.9Very low24Very low91 Ų91131.4 Ų131.475%0.75276%0.761SS**  trans18.995.5161.400000117.7N217A215-N217 PolarHBondContact O-N 3.04Å
216W21.9Very low24.1Very low224 Ų224129.5 Ų129.585%0.84875%0.749SS**  trans-90.276.8161.3-128.844.6000109.8A214 G218 M220A214-W216 PolarHBondContact O-N 3.01Å; W216-G218 VanDerWaalsContact C-N 3.25Å; W216-G218 PolarHBondContact O-N 3.28Å; W216-M220 HydrophobicContact CZ3-CE 4.36Å
217N23.6Very low24.2Very low158 Ų158125.7 Ų125.785%0.84574%0.737SS**  trans-87.569.5157.1-80.3-21.5000107.3A215A215-N217 PolarHBondContact O-N 3.04Å
218G23.4Very low24.4Very low50 Ų50120 Ų12052%0.51572%0.716SS.*  trans-106.4111.1-177.100000110.8W216 M220W216-G218 VanDerWaalsContact C-N 3.25Å; W216-G218 PolarHBondContact O-N 3.28Å; G218-M220 PolarHBondContact O-N 3.35Å
219Y25.5Very low24.6Very low213 Ų213116.6 Ų116.684%0.83570%0.699SS**  trans-58107161.2-68.6-96.9000107.6G221Y219-G221 PolarHBondContact O-N 2.97Å
220M26.2Very low24.9Very low129 Ų129117.5 Ų117.564%0.63570%0.699SS**  trans-84.493.1170.7-149.6-173.6-55.500106.7W216 G218 I222 W244W216-M220 HydrophobicContact CZ3-CE 4.36Å; G218-M220 PolarHBondContact O-N 3.35Å; M220-I222 PolarHBondContact O-N 3.42Å; M220-W244 HydrophobicContact CE-CH2 3.97Å; M220-W244 HydrophobicContact SD-CH2 4.4Å
221G26Very low25.1Very low63 Ų63114.9 Ų114.965%0.64967%0.669SS**PPolyproline II helixtrans-61.5127173.100000109.7Y219 P223Y219-G221 PolarHBondContact O-N 2.97Å; G221-P223 WeakPolarHBondContact O-CD 3.31Å
222I27.7Very low25.3Very low62 Ų62117.1 Ų117.132%0.31867%0.669SS.*PPolyproline II helixtrans-63.1121.8169.1-59.2173.3000106.3M220 R224 M226 I284M220-I222 PolarHBondContact O-N 3.42Å; I222-R224 PolarHBondContact O-N 3.36Å; I222-M226 HydrophobicContact CG2-CE 4.39Å; I222-I284 HydrophobicContact CD1-CB 4.35Å; I222-I284 HydrophobicContact CD1-CG2 4.37Å
223P27.8Very low25.5Very low78 Ų78112.6 Ų112.651%0.50666%0.664SS.*PPolyproline II helixtrans-55.8128175.1-20.730.9000108.7G221 S225 M226G221-P223 WeakPolarHBondContact O-CD 3.31Å; P223-S225 PolarHBondContact O-N 3.02Å; P223-M226 PolarHBondContact O-N 3.43Å
224R25.7Very low25.7Very low264 Ų264105 Ų105100%0.99664%0.644SS**THydrogen-bonded Turntrans-57.37.3171.4-78.2-172.4-179.1-170.4-0.9113.8I222I222-R224 PolarHBondContact O-N 3.36Å
225S24.9Very low25.9Very low101 Ų101102.8 Ų102.871%0.70662%0.619SS**THydrogen-bonded Turntrans-102.9-1.9-179.966.20000114.7P223 G227P223-S225 PolarHBondContact O-N 3.02Å; S225-G227 VanDerWaalsContact C-N 3.28Å; S225-G227 PolarHBondContact O-N 3.18Å; S225-G227 VanDerWaalsContact O-N 3.11Å
226M27.7Very low26.3Very low103 Ų103101.1 Ų101.151%0.50760%0.598SS.*SBendtrans-83.782165.4-68.4-145.2-61.700108.8I222 P223 R239I222-M226 HydrophobicContact CG2-CE 4.39Å; P223-M226 PolarHBondContact O-N 3.43Å; M226-R239 WeakPolarHBondContact CE-O 3.48Å
227G26.1Very low26.8Very low58 Ų5892.1 Ų92.160%0.59857%0.567SS**  trans-55.8143.2178.200000111.1S225 A229S225-G227 VanDerWaalsContact C-N 3.28Å; S225-G227 PolarHBondContact O-N 3.18Å; S225-G227 VanDerWaalsContact O-N 3.11Å; G227-A229 PolarHBondContact O-N 3.43Å
228P29.4Very low27.3Very low63 Ų6387.6 Ų87.641%0.40954%0.539SS..  trans-54.8125.9177.723.4-32.8000108.9A230 D236P228-A230 VanDerWaalsContact C-N 3.34Å; P228-A230 PolarHBondContact O-N 2.96Å; P228-D236 HydrophobicContact CB-CB 3.97Å; P228-D236 WeakPolarHBondContact CB-OD1 3.48Å; P228-D236 WeakPolarHBondContact CG-OD1 3.47Å
229A28.9Very low27.8Very low61 Ų6193.4 Ų93.450%0.50455%0.545SS..  trans-62.5107.3160.700000105.3G227 A231G227-A229 PolarHBondContact O-N 3.43Å; A229-A231 PolarHBondContact O-N 3.29Å
230A26.4Very low28.2Very low100 Ų10084.4 Ų84.483%0.82651%0.512SS*.  trans-51.3102.9-17500000109.7P228P228-A230 VanDerWaalsContact C-N 3.34Å; P228-A230 PolarHBondContact O-N 2.96Å
231A25.3Very low28.5Very low32 Ų3284.9 Ų84.926%0.26451%0.513SS..  trans-83.3143.8171.500000108.3A229 A233 I235 V237A229-A231 PolarHBondContact O-N 3.29Å; A231-A233 PolarHBondContact O-N 3.43Å; A231-I235 HydrophobicContact CB-CB 4.46Å; A231-I235 WeakPolarHBondContact CB-O 3.33Å; A231-V237 HydrophobicContact CB-CG2 3.81Å
232P25.5Very low28.8Very low123 Ų12383.2 Ų83.280%0.79950%0.495SS*.THydrogen-bonded Turntrans-60130.7171.726.3-30.7000108.2
233A27.1Very low29.1Very low94 Ų9488.1 Ų88.178%0.77752%0.523SS*.THydrogen-bonded Turntrans8542.1175.600000119.4A231 I235A231-A233 PolarHBondContact O-N 3.43Å; A233-I235 PolarHBondContact O-N 3.08Å
234G26Very low29.3Very low47 Ų4787.9 Ų87.949%0.48551%0.511SS..SBendtrans70.634.1160.100000114.6A278G234-A278 WeakPolarHBondContact O-CB 3.47Å; G234-A278 PolarHBondContact O-N 3.06Å; G234-A278 VanDerWaalsContact O-N 3.16Å
235I27.3Very low29.3Very low45 Ų4578 Ų7823%0.23148%0.481CS..EExtended strand (participates in β ladder)trans-119.3123.9178.2-63.5168.8000107.9A231 A233 V237 K275A231-I235 HydrophobicContact CB-CB 4.46Å; A231-I235 WeakPolarHBondContact CB-O 3.33Å; A233-I235 PolarHBondContact O-N 3.08Å; I235-V237 HydrophobicContact CG2-CG2 4.46Å; I235-K275 HydrophobicContact CD1-CD 4.19Å; I235-K275 HydrophobicContact CG2-CB 3.79Å; I235-K275 HydrophobicContact CG2-CG 3.84Å
236D30.7Very low29.5Very low55 Ų5578.8 Ų78.829%0.29448%0.476SS..EExtended strand (participates in β ladder)trans-80128.1169.6-68.6-31.5000109.5P228 Y238 I274P228-D236 HydrophobicContact CB-CB 3.97Å; P228-D236 WeakPolarHBondContact CB-OD1 3.48Å; P228-D236 WeakPolarHBondContact CG-OD1 3.47Å; D236-Y238 HydrophobicContact CB-CE2 3.77Å; D236-I274 VanDerWaalsContact O-O 3.11Å
237V32.2Very low29.5Very low35 Ų3582 Ų8221%0.21248%0.483CS..EExtended strand (participates in β ladder)trans-107.1116.7177.1177.70000109.1A231 I235 T273A231-V237 HydrophobicContact CB-CG2 3.81Å; I235-V237 HydrophobicContact CG2-CG2 4.46Å; V237-T273 HydrophobicContact CG1-CG2 4.41Å
238Y34.6Very low29.7Very low63 Ų6387 Ų8725%0.24750%0.496CS..  trans-96.7131.5173.1-63.4-89.2000109.7D236 V276 I284D236-Y238 HydrophobicContact CB-CE2 3.77Å; Y238-V276 HydrophobicContact CE2-CG2 4.3Å; Y238-I284 HydrophobicContact CD1-CD1 4.28Å; Y238-I284 HydrophobicContact CD2-CD1 3.49Å; Y238-I284 VanDerWaalsContact CD2-CD1 3.49Å; Y238-I284 HydrophobicContact CE2-CD1 3.87Å; Y238-I284 HydrophobicContact CG-CD1 3.73Å
239R32Very low29.4Very low173 Ų17388.4 Ų88.465%0.65350%0.497SS*.  trans-107.2115170.6-71.2-175.7177.8-173.9-1.4108.9M226M226-R239 WeakPolarHBondContact CE-O 3.48Å
240V34.6Very low29.2Very low23 Ų2391.5 Ų91.514%0.13951%0.512CS..  trans-102125.9172.9-175.30000108.5V286V240-V286 HydrophobicContact CG2-CG2 4.45Å
241Q31.9Very low29.2Very low140 Ų14090.2 Ų90.265%0.65449%0.494SS*.  trans-106.7135.6176.1170.7164.715.900109.7W244 M269Q241-W244 PolarHBondContact O-NE1 3.08Å; Q241-M269 HydrophobicContact CB-CE 3.95Å; Q241-M269 HydrophobicContact CB-SD 4.49Å; Q241-M269 HydrophobicContact CG-CE 3.4Å; Q241-M269 VanDerWaalsContact CG-CE 3.4Å; Q241-M269 HydrophobicContact CG-SD 3.52Å; Q241-M269 VanDerWaalsContact CG-SD 3.52Å; Q241-M269 PolarHBondContact NE2-SD 3.31Å
242G33.3Very low29.3Very low27 Ų2795.2 Ų95.228%0.27852%0.524SS..SBendtrans146176.8167.700000115W244G242-W244 VanDerWaalsContact CA-NE1 3.27Å; G242-W244 PolarHBondContact O-N 2.68Å; G242-W244 VanDerWaalsContact O-N 3.1Å
243N33.5Very low29.3Very low166 Ų16697.4 Ų97.489%0.88852%0.523SS*.  trans-81.481.5175.4-76.4-23000110.1
244W31.3Very low29.3Very low72 Ų7297.6 Ų97.627%0.27352%0.515SS..  trans-107.7133.1-178.7-52.994.8000111.3M220 Q241 G242 V286M220-W244 HydrophobicContact CE-CH2 3.97Å; M220-W244 HydrophobicContact SD-CH2 4.4Å; Q241-W244 PolarHBondContact O-NE1 3.08Å; G242-W244 VanDerWaalsContact CA-NE1 3.27Å; G242-W244 PolarHBondContact O-N 2.68Å; G242-W244 VanDerWaalsContact O-N 3.1Å; W244-V286 HydrophobicContact CD2-CG1 4.01Å; W244-V286 HydrophobicContact CE3-CG1 3.67Å; W244-V286 HydrophobicContact CG-CG1 4.48Å; W244-V286 HydrophobicContact CZ3-CG1 4.07Å
245T27.7Very low29.5Very low57 Ų57101.9 Ų101.935%0.3552%0.524SS..  trans-95.3109.4165.9-35.80000107.8R247 G289T245-R247 PolarHBondContact O-N 3.44Å; T245-R247 VanDerWaalsContact O-N 3.1Å; T245-G289 WeakPolarHBondContact CB-O 3.47Å; T245-G289 PolarHBondContact OG1-O 2.96Å
246L28.9Very low29.5Very low118 Ų118104.4 Ų104.462%0.61855%0.552SS**BIsolated β-bridgetrans-68.8103.5170.9-90.7140.6000108.6L272L246-L272 HydrophobicContact CD1-CD1 4.22Å; L246-L272 HydrophobicContact CD2-CD1 4.35Å; L246-L272 HydrophobicContact CD2-CD2 4.48Å
247R26.9Very low29.4Very low171 Ų171107.8 Ų107.865%0.64556%0.561SS**  trans-90.4111.7162.1-81.8-168.9173.9-156.7-0.2107.9T245 E249T245-R247 PolarHBondContact O-N 3.44Å; T245-R247 VanDerWaalsContact O-N 3.1Å; R247-E249 HydrophobicContact CB-CG 4.45Å; R247-E249 PolarHBondContact O-N 2.08Å
248N30.2Very low29.3Very low162 Ų162112.1 Ų112.187%0.86659%0.59SS**  trans-73.481.8167.4-151.69.8000107P250N248-P250 WeakPolarHBondContact O-CD 3.45Å
249E24.2Very low29.2Very low92 Ų92111.8 Ų111.843%0.4359%0.594SS.*  trans-77.8117.9168.4-75.2-173166.200106.7R247 T251 K287R247-E249 HydrophobicContact CB-CG 4.45Å; R247-E249 PolarHBondContact O-N 2.08Å; E249-T251 PolarHBondContact O-N 2.93Å; E249-K287 IonicContact OE2-NZ 3.82Å; E249-K287 PolarHBondContact OE2-NZ 3.02Å
250P24.5Very low29.2Very low126 Ų126109 Ų10982%0.81860%0.599SS**  trans-66.786.1172.626.9-31.7000108.2N248N248-P250 WeakPolarHBondContact O-CD 3.45Å
251T26.2Very low29Very low74 Ų74112.8 Ų112.845%0.45462%0.622SS.*  trans-72.1136.1164.529.20000108.1E249 Q253 T254E249-T251 PolarHBondContact O-N 2.93Å; T251-Q253 PolarHBondContact O-N 3.13Å; T251-T254 PolarHBondContact O-N 3.38Å; T251-T254 PolarHBondContact OG1-OG1 3.43Å
252P26.5Very low28.8Very low136 Ų136109.1 Ų109.188%0.88362%0.615SS**THydrogen-bonded Turntrans-63.76.8-170-20.631.9000116
253Q26.4Very low28.6Very low169 Ų169110.3 Ų110.379%0.7962%0.623SS**THydrogen-bonded Turntrans-136.27.2-166-66.2-161.8-18.200114.7T251T251-Q253 PolarHBondContact O-N 3.13Å
254T27.5Very low28.3Very low99 Ų99107.8 Ų107.861%0.60761%0.61SS**  trans-104.3118.1-173.4-30.70000110.7T251 A256T251-T254 PolarHBondContact O-N 3.38Å; T251-T254 PolarHBondContact OG1-OG1 3.43Å; T254-A256 PolarHBondContact O-N 2.95Å
255M29.4Very low28.1Very low136 Ų136112.4 Ų112.467%0.6763%0.634SS**  trans-52.8116.1168.6-76-149.7-73.800108.8Y257M255-Y257 VanDerWaalsContact C-N 3.27Å; M255-Y257 HydrophobicContact CB-CD2 4.18Å; M255-Y257 HydrophobicContact CB-CE2 3.89Å; M255-Y257 HydrophobicContact CE-CE2 3.88Å; M255-Y257 WeakPolarHBondContact CE-OH 3.33Å; M255-Y257 PolarHBondContact O-N 3.2Å
256A27.7Very low28.2Very low99 Ų99116.7 Ų116.782%0.81866%0.655SS**  trans-70.288.1174.100000108.5T254 P258T254-A256 PolarHBondContact O-N 2.95Å; A256-P258 WeakPolarHBondContact O-CD 3.29Å
257Y28.1Very low28.3Very low126 Ų126117.7 Ų117.749%0.49466%0.661SS.*  trans-72.5122.7164.3-72.6-81000107.9M255 T259M255-Y257 VanDerWaalsContact C-N 3.27Å; M255-Y257 HydrophobicContact CB-CD2 4.18Å; M255-Y257 HydrophobicContact CB-CE2 3.89Å; M255-Y257 HydrophobicContact CE-CE2 3.88Å; M255-Y257 WeakPolarHBondContact CE-OH 3.33Å; M255-Y257 PolarHBondContact O-N 3.2Å; Y257-T259 PolarHBondContact O-N 2.89Å; Y257-T259 PolarHBondContact O-OG1 3.23Å
258P29.8Very low28.3Very low125 Ų125112.9 Ų112.981%0.81266%0.664SS**  trans-64.395.5166.926.8-30.5000106.8A256 P260A256-P258 WeakPolarHBondContact O-CD 3.29Å; P258-P260 WeakPolarHBondContact O-CD 3.36Å
259T33.6Very low28.3Very low56 Ų56107.3 Ų107.334%0.34463%0.634SS.*  trans-88.9107.5174.7-41.10000105.6Y257 V261 L272 T273Y257-T259 PolarHBondContact O-N 2.89Å; Y257-T259 PolarHBondContact O-OG1 3.23Å; T259-V261 PolarHBondContact O-N 3.1Å; T259-L272 HydrophobicContact CG2-CD1 4.31Å; T259-T273 WeakPolarHBondContact CG2-O 3.4Å
260P31.1Very low28.7Very low116 Ų116110.5 Ų110.575%0.75364%0.642SS**  trans-62.2109.8170.724.1-30.4000107.5P258 A262P258-P260 WeakPolarHBondContact O-CD 3.36Å; P260-A262 VanDerWaalsContact C-N 3.25Å; P260-A262 PolarHBondContact O-N 3.39Å
261V31Very low29.1Very low101 Ų101108 Ų10861%0.61262%0.618SS**  trans-74.388.3169.3-175.40000105.9T259 A263T259-V261 PolarHBondContact O-N 3.1Å; V261-A263 VanDerWaalsContact C-N 3.26Å; V261-A263 PolarHBondContact O-N 3.19Å
262A27.8Very low29.6Very low63 Ų63106 Ų10652%0.52160%0.604SS.*  trans-71.792.5163.200000107P260 N264P260-A262 VanDerWaalsContact C-N 3.25Å; P260-A262 PolarHBondContact O-N 3.39Å; A262-N264 VanDerWaalsContact C-N 3.29Å; A262-N264 PolarHBondContact O-N 3.45Å
263A27.6Very low30.1Very low53 Ų53102.9 Ų102.944%0.43858%0.583SS.*  trans-69.893.7162.600000106.8V261 E265V261-A263 VanDerWaalsContact C-N 3.26Å; V261-A263 PolarHBondContact O-N 3.19Å; A263-E265 VanDerWaalsContact C-N 3.34Å; A263-E265 HydrophobicContact CB-CG 4.26Å; A263-E265 PolarHBondContact O-N 2.77Å; A263-E265 VanDerWaalsContact O-N 3.11Å
264N28.3Very low30.8Very low113 Ų11396.6 Ų96.660%0.60456%0.555SS**  trans-70.8101.5159.2-72.3-8000105.6A262 D266A262-N264 VanDerWaalsContact C-N 3.29Å; A262-N264 PolarHBondContact O-N 3.45Å; N264-D266 PolarHBondContact O-N 3.05Å
265E27.6Very low31.2Very low168 Ų16898.6 Ų98.679%0.78556%0.555SS**THydrogen-bonded Turntrans-75.44.5-176.6-76.3-166.8142.400113.9A263A263-E265 VanDerWaalsContact C-N 3.34Å; A263-E265 HydrophobicContact CB-CG 4.26Å; A263-E265 PolarHBondContact O-N 2.77Å; A263-E265 VanDerWaalsContact O-N 3.11Å
266D28.8Very low31.5Very low148 Ų14892.4 Ų92.479%0.79152%0.524SS*.THydrogen-bonded Turntrans-91.9-13.7-167.1-66.1-34.4000115.9N264N264-D266 PolarHBondContact O-N 3.05Å
267D30.5Very low31.7Very low138 Ų13890.6 Ų90.674%0.73850%0.504SS*.SBendtrans-128.511-173-77-33.6000115.4M269D267-M269 HydrophobicContact CB-CB 4.32Å; D267-M269 HydrophobicContact CB-CG 4.44Å; D267-M269 WeakPolarHBondContact O-CG 3.47Å; D267-M269 PolarHBondContact O-N 3.23Å
268G27.2Very low31.7Very low70 Ų7087.8 Ų87.872%0.72251%0.507SS*.SBendtrans649.2-175.400000114.3
269M29.8Very low31.5Very low45 Ų4587.2 Ų87.222%0.22251%0.513CS..  trans-111.7109.4-172.8-75.1-79.6-76.700109.6Q241 D267 F271Q241-M269 HydrophobicContact CB-CE 3.95Å; Q241-M269 HydrophobicContact CB-SD 4.49Å; Q241-M269 HydrophobicContact CG-CE 3.4Å; Q241-M269 VanDerWaalsContact CG-CE 3.4Å; Q241-M269 HydrophobicContact CG-SD 3.52Å; Q241-M269 VanDerWaalsContact CG-SD 3.52Å; Q241-M269 PolarHBondContact NE2-SD 3.31Å; D267-M269 HydrophobicContact CB-CB 4.32Å; D267-M269 HydrophobicContact CB-CG 4.44Å; D267-M269 WeakPolarHBondContact O-CG 3.47Å; D267-M269 PolarHBondContact O-N 3.23Å; M269-F271 HydrophobicContact CB-CE2 3.85Å; M269-F271 HydrophobicContact CB-CZ 3.97Å; M269-F271 HydrophobicContact CE-CE1 4.1Å; M269-F271 HydrophobicContact CE-CZ 3.95Å
270R33Very low31.3Very low160 Ų16087.2 Ų87.260%0.60452%0.516SS*.  trans-89.3116174.1-65-172.7177.4-150.7-6.6109.4
271F32.4Very low31.4Very low73 Ų7390.3 Ų90.332%0.3253%0.526SS..  trans-93.3137174.4-59.9-83.4000110.2M269M269-F271 HydrophobicContact CB-CE2 3.85Å; M269-F271 HydrophobicContact CB-CZ 3.97Å; M269-F271 HydrophobicContact CE-CE1 4.1Å; M269-F271 HydrophobicContact CE-CZ 3.95Å
272L37.9Very low31.6Very low31 Ų3189 Ų8916%0.16252%0.518CS..  trans-107.5110.2167.4-178.967.8000107.9L246 T259 I274L246-L272 HydrophobicContact CD1-CD1 4.22Å; L246-L272 HydrophobicContact CD2-CD1 4.35Å; L246-L272 HydrophobicContact CD2-CD2 4.48Å; T259-L272 HydrophobicContact CG2-CD1 4.31Å; L272-I274 HydrophobicContact CD2-CD1 3.74Å; L272-I274 HydrophobicContact CD2-CG1 4.08Å; L272-I274 HydrophobicContact CG-CD1 4.16Å; L272-I274 HydrophobicContact CG-CG1 3.95Å
273T37.1Very low32Very low71 Ų7193.5 Ų93.544%0.43653%0.528SS..  trans-95.3107.3175.3-58.30000109.1V237 T259V237-T273 HydrophobicContact CG1-CG2 4.41Å; T259-T273 WeakPolarHBondContact CG2-O 3.4Å
274I40.1Very low32.5Very low38 Ų3892.6 Ų92.620%0.19552%0.515CS..  trans-101.1123.1174-59.3166.5000107.7D236 L272 V276 I284D236-I274 VanDerWaalsContact O-O 3.11Å; L272-I274 HydrophobicContact CD2-CD1 3.74Å; L272-I274 HydrophobicContact CD2-CG1 4.08Å; L272-I274 HydrophobicContact CG-CD1 4.16Å; L272-I274 HydrophobicContact CG-CG1 3.95Å; I274-V276 HydrophobicContact CG2-CG2 3.83Å; I274-I284 HydrophobicContact CB-CD1 4.46Å; I274-I284 HydrophobicContact CD1-CB 4.33Å; I274-I284 HydrophobicContact CD1-CD1 3.79Å; I274-I284 HydrophobicContact CD1-CG1 3.93Å; I274-I284 HydrophobicContact CD1-CG2 3.44Å; I274-I284 VanDerWaalsContact CD1-CG2 3.44Å
275K36.5Very low32.8Very low141 Ų14192 Ų9261%0.61351%0.511SS*.EExtended strand (participates in β ladder)trans-90.2109.7171.6-66.4-174.3171.2-178.70108.7I235I235-K275 HydrophobicContact CD1-CD 4.19Å; I235-K275 HydrophobicContact CG2-CB 3.79Å; I235-K275 HydrophobicContact CG2-CG 3.84Å
276V35.7Very low33.1Very low5 Ų586.5 Ų86.53%0.0349%0.489CS..EExtended strand (participates in β ladder)trans-101.8126.8175.4178.40000109Y238 I274 A278 V282Y238-V276 HydrophobicContact CE2-CG2 4.3Å; I274-V276 HydrophobicContact CG2-CG2 3.83Å; V276-A278 PolarHBondContact O-N 3.16Å; V276-V282 HydrophobicContact CB-CG2 4.4Å; V276-V282 HydrophobicContact CG1-CB 3.94Å; V276-V282 HydrophobicContact CG1-CG2 3.4Å; V276-V282 HydrophobicContact CG2-CB 4.1Å; V276-V282 HydrophobicContact CG2-CG1 4.15Å; V276-V282 HydrophobicContact CG2-CG2 4.15Å
277P32Very low33.3Very low61 Ų6185.8 Ų85.840%0.39648%0.479SS..EExtended strand (participates in β ladder)trans-62131.5172.2-16.828.6000110.3A279 S280P277-A279 PolarHBondContact O-N 2.95Å; P277-S280 WeakPolarHBondContact O-CB 3.36Å; P277-S280 PolarHBondContact O-N 3.06Å; P277-S280 VanDerWaalsContact O-N 3.11Å; P277-S280 PolarHBondContact O-OG 3.12Å
278A27Very low33.2Very low67 Ų6781.5 Ų81.555%0.55447%0.468SS*.THydrogen-bonded Turntrans-49.4135.4168.700000110.2G234 V276G234-A278 WeakPolarHBondContact O-CB 3.47Å; G234-A278 PolarHBondContact O-N 3.06Å; G234-A278 VanDerWaalsContact O-N 3.16Å; V276-A278 PolarHBondContact O-N 3.16Å
279A26.2Very low33.2Very low114 Ų11479.3 Ų79.394%0.94245%0.445SS*.THydrogen-bonded Turntrans83.511.6-171.400000117.3P277P277-A279 PolarHBondContact O-N 2.95Å
280S30.2Very low33Very low56 Ų5688 Ų8839%0.39248%0.475SS..  trans-100.7122173.2-47.80000111.3P277 V282P277-S280 WeakPolarHBondContact O-CB 3.36Å; P277-S280 PolarHBondContact O-N 3.06Å; P277-S280 VanDerWaalsContact O-N 3.11Å; P277-S280 PolarHBondContact O-OG 3.12Å; S280-V282 VanDerWaalsContact C-N 3.32Å; S280-V282 PolarHBondContact O-N 3.39Å
281D33.4Very low32.8Very low181 Ų18194.1 Ų94.197%0.96850%0.498SS*.  trans-71.490.9162-75.9-32.5000108
282V34.5Very low32.8Very low72 Ų7295.2 Ų95.244%0.43651%0.507SS..  trans-104.4119.7177.3-178.30000109.7V276 S280 I284V276-V282 HydrophobicContact CB-CG2 4.4Å; V276-V282 HydrophobicContact CG1-CB 3.94Å; V276-V282 HydrophobicContact CG1-CG2 3.4Å; V276-V282 HydrophobicContact CG2-CB 4.1Å; V276-V282 HydrophobicContact CG2-CG1 4.15Å; V276-V282 HydrophobicContact CG2-CG2 4.15Å; S280-V282 VanDerWaalsContact C-N 3.32Å; S280-V282 PolarHBondContact O-N 3.39Å; V282-I284 HydrophobicContact CG1-CG1 4.07Å
283E35.2Very low32.6Very low158 Ų15898.5 Ų98.574%0.73853%0.525SS*.  trans-87.6117.7164.4-170.1176.5-172.200109I285E283-I285 HydrophobicContact CG-CG1 3.96Å
284I38.6Very low32.3Very low34 Ų34100.1 Ų100.117%0.17453%0.53CS..  trans-93.8104.9174.5-60.3168.6000107.8I222 Y238 I274 V282 V286I222-I284 HydrophobicContact CD1-CB 4.35Å; I222-I284 HydrophobicContact CD1-CG2 4.37Å; Y238-I284 HydrophobicContact CD1-CD1 4.28Å; Y238-I284 HydrophobicContact CD2-CD1 3.49Å; Y238-I284 VanDerWaalsContact CD2-CD1 3.49Å; Y238-I284 HydrophobicContact CE2-CD1 3.87Å; Y238-I284 HydrophobicContact CG-CD1 3.73Å; I274-I284 HydrophobicContact CB-CD1 4.46Å; I274-I284 HydrophobicContact CD1-CB 4.33Å; I274-I284 HydrophobicContact CD1-CD1 3.79Å; I274-I284 HydrophobicContact CD1-CG1 3.93Å; I274-I284 HydrophobicContact CD1-CG2 3.44Å; I274-I284 VanDerWaalsContact CD1-CG2 3.44Å; V282-I284 HydrophobicContact CG1-CG1 4.07Å; I284-V286 HydrophobicContact CG2-CG2 4.04Å
285I34Very low31.9Very low102 Ų102103.7 Ų103.752%0.52355%0.55SS..  trans-95106.5175.4-54.8176.8000108.6E283 K287E283-I285 HydrophobicContact CG-CG1 3.96Å; I285-K287 HydrophobicContact CG2-CG 4.27Å
286V35.7Very low31.6Very low51 Ų51101.4 Ų101.431%0.30955%0.546SS..  trans-92.1100.7171.2-174.20000108.6V240 W244 I284 G288V240-V286 HydrophobicContact CG2-CG2 4.45Å; W244-V286 HydrophobicContact CD2-CG1 4.01Å; W244-V286 HydrophobicContact CE3-CG1 3.67Å; W244-V286 HydrophobicContact CG-CG1 4.48Å; W244-V286 HydrophobicContact CZ3-CG1 4.07Å; I284-V286 HydrophobicContact CG2-CG2 4.04Å; V286-G288 PolarHBondContact O-N 3.32Å
287K31.4Very low31.3Very low133 Ų133107.8 Ų107.858%0.57858%0.58SS**  trans-82.4110.6168.7-77.2-173.1-176.2178.20109.7E249 I285 G289E249-K287 IonicContact OE2-NZ 3.82Å; E249-K287 PolarHBondContact OE2-NZ 3.02Å; I285-K287 HydrophobicContact CG2-CG 4.27Å; K287-G289 PolarHBondContact O-N 2.97Å
288G29.3Very low31.3Very low49 Ų49111.1 Ų111.151%0.50559%0.593SS.*BIsolated β-bridgetrans-77.3112.1168.600000111.2V286V286-G288 PolarHBondContact O-N 3.32Å
289G26.5Very low31.6Very low23 Ų23114.5 Ų114.524%0.23760%0.596CS.*  trans-86127.6166.400000111T245 K287T245-G289 WeakPolarHBondContact CB-O 3.47Å; T245-G289 PolarHBondContact OG1-O 2.96Å; K287-G289 PolarHBondContact O-N 2.97Å
290R26.8Very low32Very low227 Ų227114.6 Ų114.686%0.85757%0.567SS**  trans-63.7140.7165-77.2-176.2175.1179.1-1.5109.4
291R28.7Very low32.2Very low289 Ų289119.9 Ų119.9100%1.09158%0.583SS**  trans-63.30168.2-77.2-175.6172.9-178.5-2.2110.7

Retrieved 291 of 291 residues in 79.6 ms (Link to these results)