A0A3Q0KGK1_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KGK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 283 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low34Very low169 Ų169103.7 Ų103.783%0.83359%0.588SS**  0109.40-174.4177.4-93.900106.7M10M1-M10 HydrophobicContact CE-CE 3.99Å; M1-M10 HydrophobicContact CE-SD 3.45Å; M1-M10 WeakPolarHBondContact CE-SD 3.47Å; M1-M10 HydrophobicContact CG-CG 3.94Å; M1-M10 HydrophobicContact CG-SD 3.76Å; M1-M10 HydrophobicContact SD-CG 4.36Å; M1-M10 HydrophobicContact SD-SD 3.37Å
2F30.5Very low34.5Very low174 Ų17499.8 Ų99.876%0.76356%0.564SS**  trans-90.4116.4-175.4-73.7-83.8000109.6
3Y25.9Very low34.6Very low185 Ų18598.2 Ų98.273%0.72556%0.56SS**BIsolated β-bridgetrans-92.2110.7175.5-136.1-92000108P5Y3-P5 WeakPolarHBondContact O-CD 3.45Å
4G34.8Very low34.6Very low29 Ų29103.7 Ų103.730%0.29958%0.578SS.*  trans-86.7111.217200000110S6 G8G4-S6 PolarHBondContact O-N 3.03Å; G4-S6 VanDerWaalsContact O-N 3.09Å; G4-G8 PolarHBondContact O-N 2.96Å
5P31.6Very low34.9Very low129 Ų129101.7 Ų101.784%0.83857%0.57SS**THydrogen-bonded Turntrans-72.7-0.1-171.827-32.6000114.9Y3Y3-P5 WeakPolarHBondContact O-CD 3.45Å
6S35.1Very low35Very low97 Ų9798.6 Ų98.668%0.67857%0.568SS**THydrogen-bonded Turntrans-102.4-10.7-178.957.90000115.2G4G4-S6 PolarHBondContact O-N 3.03Å; G4-S6 VanDerWaalsContact O-N 3.09Å
7T35Very low34.8Very low99 Ų9997.2 Ų97.261%0.60756%0.558SS**THydrogen-bonded Turntrans-133.2-13.8-178.157.30000114.4V9T7-V9 WeakPolarHBondContact O-CG2 3.46Å; T7-V9 PolarHBondContact O-N 3.05Å; T7-V9 VanDerWaalsContact O-N 3.12Å
8G30.1Very low35.1Very low59 Ų5996.4 Ų96.461%0.60855%0.55SS**  trans63.413.3-176.800000113.8G4G4-G8 PolarHBondContact O-N 2.96Å
9V35.7Very low35.3Very low58 Ų5894.6 Ų94.635%0.35254%0.543SS..  trans-99.8124.6-179.1-169.60000109.8T7 L18 P19T7-V9 WeakPolarHBondContact O-CG2 3.46Å; T7-V9 PolarHBondContact O-N 3.05Å; T7-V9 VanDerWaalsContact O-N 3.12Å; V9-L18 HydrophobicContact CB-CD2 4.35Å; V9-L18 HydrophobicContact CG1-CD2 3.56Å; V9-P19 HydrophobicContact CG1-CG 4.34Å
10M38.4Very low35.4Very low85 Ų8595.3 Ų95.342%0.41955%0.554SS.*BIsolated β-bridgetrans-90.2111.8178.7-164.3175.765.100109M1 P19M1-M10 HydrophobicContact CE-CE 3.99Å; M1-M10 HydrophobicContact CE-SD 3.45Å; M1-M10 WeakPolarHBondContact CE-SD 3.47Å; M1-M10 HydrophobicContact CG-CG 3.94Å; M1-M10 HydrophobicContact CG-SD 3.76Å; M1-M10 HydrophobicContact SD-CG 4.36Å; M1-M10 HydrophobicContact SD-SD 3.37Å; M10-P19 VanDerWaalsContact O-CD 3.27Å; M10-P19 WeakPolarHBondContact O-CD 3.13Å; M10-P19 WeakPolarHBondContact O-CG 3.27Å
11V39.6Very low35.4Very low57 Ų5794.7 Ų94.735%0.34555%0.552SS.*  trans-85.8134.9178.2-1650000109P13 L18V11-P13 WeakPolarHBondContact O-CD 3.43Å; V11-L18 HydrophobicContact CG2-CD2 4.11Å
12N39.1Very low35Very low56 Ų5688.9 Ų88.930%0.29952%0.523SS..  trans-67.5118.6176.4-179.9-24000109.3H14 T15 G16 L17N12-H14 PolarHBondContact O-N 3.17Å; N12-H14 WeakPolarHBondContact OD1-CB 3.36Å; N12-H14 PolarHBondContact OD1-N 2.96Å; N12-T15 WeakPolarHBondContact CB-OG1 3.36Å; N12-T15 PolarHBondContact O-N 2.86Å; N12-G16 PolarHBondContact O-N 2.87Å; N12-L17 PolarHBondContact N-O 3.12Å
13P36.2Very low35.1Very low80 Ų8084.8 Ų84.852%0.51951%0.509SS..THydrogen-bonded Turntrans-71.1-14.1-174.829.6-35.2000113.7V11V11-P13 WeakPolarHBondContact O-CD 3.43Å
14H35Very low35.4Very low175 Ų17580.8 Ų80.881%0.8151%0.506SS*.THydrogen-bonded Turntrans-91.4-20.4178.1-63.6-61.1000113.2N12N12-H14 PolarHBondContact O-N 3.17Å; N12-H14 WeakPolarHBondContact OD1-CB 3.36Å; N12-H14 PolarHBondContact OD1-N 2.96Å
15T38.4Very low35.3Very low73 Ų7385.7 Ų85.745%0.44853%0.526SS..THydrogen-bonded Turntrans-122.4-14.9-17661.80000113.9N12 L17N12-T15 WeakPolarHBondContact CB-OG1 3.36Å; N12-T15 PolarHBondContact O-N 2.86Å; T15-L17 PolarHBondContact O-N 2.87Å; T15-L17 VanDerWaalsContact O-N 3.12Å
16G36.3Very low35.3Very low52 Ų5285.7 Ų85.754%0.53651%0.514SS..  trans667.2-17500000113.9N12N12-G16 PolarHBondContact O-N 2.87Å
17L32.1Very low35.3Very low76 Ų7686.5 Ų86.540%0.39851%0.51SS..  trans-91.2139.1-176.4-68.7180000111.1N12 T15 T21N12-L17 PolarHBondContact N-O 3.12Å; T15-L17 PolarHBondContact O-N 2.87Å; T15-L17 VanDerWaalsContact O-N 3.12Å; L17-T21 WeakPolarHBondContact CB-OG1 3.37Å
18L41Very low35Very low82 Ų8292.5 Ų92.543%0.42952%0.521SS..  trans-66.1146.7168.2-68.5162.2000108.6V9 V11 S20 T21V9-L18 HydrophobicContact CB-CD2 4.35Å; V9-L18 HydrophobicContact CG1-CD2 3.56Å; V11-L18 HydrophobicContact CG2-CD2 4.11Å; L18-S20 PolarHBondContact O-N 3.16Å; L18-T21 PolarHBondContact O-N 3.33Å; L18-T21 PolarHBondContact O-OG1 2.92Å
19P37.3Very low34.9Very low62 Ų6296.3 Ų96.340%0.40353%0.528SS..G310 helixtrans-55.9-22.1-177.6-25.133.4000114.4V9 M10V9-P19 HydrophobicContact CG1-CG 4.34Å; M10-P19 VanDerWaalsContact O-CD 3.27Å; M10-P19 WeakPolarHBondContact O-CD 3.13Å; M10-P19 WeakPolarHBondContact O-CG 3.27Å
20S37.9Very low34.7Very low109 Ų109102 Ų10276%0.76255%0.551SS**G310 helixtrans-84-5.2-179.353.90000115.2L18L18-S20 PolarHBondContact O-N 3.16Å
21T35.6Very low34.3Very low83 Ų83104.4 Ų104.451%0.50957%0.565SS.*G310 helixtrans-99.5-0.7174.458.20000113.2L17 L18L17-T21 WeakPolarHBondContact CB-OG1 3.37Å; L18-T21 PolarHBondContact O-N 3.33Å; L18-T21 PolarHBondContact O-OG1 2.92Å
22L30Very low33.7Very low46 Ų46106.2 Ų106.224%0.24158%0.581CS.*SBendtrans-84.6119.5168.8-69167.6000108.2I27L22-I27 HydrophobicContact CB-CD1 4.4Å; L22-I27 HydrophobicContact CB-CG1 4.13Å
23D32.2Very low33Very low88 Ų88112.3 Ų112.347%0.47161%0.607SS.*  trans-46.2130.1169.4-165.6-37.5000108.2N25 Q26D23-N25 PolarHBondContact O-N 2.88Å; D23-N25 PolarHBondContact OD1-N 3.16Å; D23-N25 PolarHBondContact OD1-ND2 3.38Å; D23-Q26 HydrophobicContact CB-CG 4.31Å; D23-Q26 WeakPolarHBondContact O-CB 3.43Å; D23-Q26 PolarHBondContact O-N 3.38Å
24P32.4Very low32.5Very low102 Ų102114.1 Ų114.166%0.66262%0.617SS**THydrogen-bonded Turntrans-54.7-17.6-177.615.6-28.6000113.6
25N31.9Very low32Very low132 Ų132112.3 Ų112.371%0.70661%0.613SS**THydrogen-bonded Turntrans-77.6-13.2172.4-63.8-50000114.9D23D23-N25 PolarHBondContact O-N 2.88Å; D23-N25 PolarHBondContact OD1-N 3.16Å; D23-N25 PolarHBondContact OD1-ND2 3.38Å
26Q33.2Very low31.2Very low128 Ų128113.8 Ų113.860%0.59863%0.626SS**THydrogen-bonded Turntrans-93.4-16.6176.5-68.6-170.9-1400113.6D23 R28D23-Q26 HydrophobicContact CB-CG 4.31Å; D23-Q26 WeakPolarHBondContact O-CB 3.43Å; D23-Q26 PolarHBondContact O-N 3.38Å; Q26-R28 PolarHBondContact O-N 3.3Å
27I35.1Very low30.6Very low115 Ų115122.5 Ų122.559%0.5965%0.645SS**THydrogen-bonded Turntrans-75.9-13.6178.8-62.7174.6000111.6L22L22-I27 HydrophobicContact CB-CD1 4.4Å; L22-I27 HydrophobicContact CB-CG1 4.13Å
28R28.3Very low30.1Very low224 Ų224125.4 Ų125.485%0.84566%0.661SS**THydrogen-bonded Turntrans-99.88.3-167.8-137.8175.2-173.9168.11.8116.5Q26Q26-R28 PolarHBondContact O-N 3.3Å
29N27.7Very low29.3Very low140 Ų140130 Ų13075%0.74969%0.685SS**SBendtrans-142.831.7-172.7-99.3-13.7000115.9
30Q31.3Very low28.6Very low178 Ų178134.6 Ų134.683%0.83271%0.705SS**SBendtrans-125.786.3162.1-72.2-163.5-14.200110.1
31D28.9Very low28Very low135 Ų135136.9 Ų136.972%0.72271%0.709SS**  trans35.7105130.1-56.6-31.9000116
32S27.1Very low27.3Very low95 Ų95138.3 Ų138.366%0.66472%0.722SS**  45.2110.485.473.20000112.9
33Q25Very low27Very low183 Ų183140 Ų14086%0.85574%0.738SS**  trans87.399.7178.5-50.7178.4-1.500114.4
34T25.6Very low26.8Very low119 Ų119141.6 Ų141.673%0.7376%0.756SS**  157.8132.687.2-8.50000111.7
35N24.2Very low26.5Very low137 Ų137143.6 Ų143.673%0.73376%0.761SS**  trans74.692.8147.7-59-18.6000122.3
36S22.1Very low26.3Very low103 Ų103142.9 Ų142.972%0.7276%0.757SS**  trans1.1131133.1-43.60000120
37Y23Very low26.1Very low236 Ų236143.8 Ų143.893%0.92577%0.765SS**  trans-136.5105.1136.7-80.5-79.2000109.5
38D22.8Very low25.6Very low137 Ų137142.2 Ų142.273%0.73376%0.764SS**  trans-62.5126.5161.8-90.5-45.8000109.9
39L24.2Very low25.4Very low179 Ų179138.3 Ų138.394%0.93776%0.759SS**  trans-14368.5148.8-79.5179.8000109.1
40L22.7Very low25.3Very low157 Ų157138.4 Ų138.482%0.82276%0.759SS**  trans-85.3144.5148.5-72.5170.6000108.1
41N24.3Very low25Very low157 Ų157135.1 Ų135.184%0.8475%0.751SS**  trans109.490.9143.7-15018.2000117.6
42S22Very low24.8Very low113 Ų113136.6 Ų136.679%0.7975%0.753SS**SBendtrans-17166.4133.357.40000112.5
43S24Very low24.5Very low82 Ų82136.3 Ų136.357%0.57375%0.752SS**  trans178.2108.6145.427.40000111.1N45S43-N45 PolarHBondContact O-N 3.41Å
44S26.8Very low24.5Very low121 Ų121135.7 Ų135.785%0.84675%0.753SS**THydrogen-bonded Turntrans-74.318.7-178.738.50000115.1
45N27.6Very low24.4Very low145 Ų145137.4 Ų137.478%0.77575%0.753SS**THydrogen-bonded Turntrans-1243.3-176.8-101.1-25.1000115.3S43S43-N45 PolarHBondContact O-N 3.41Å
46L26.4Very low24.3Very low117 Ų117136.4 Ų136.461%0.61375%0.754SS**SBendtrans-101.6-3.8177.5-74.8169000114S48L46-S48 VanDerWaalsContact C-N 3.26Å; L46-S48 PolarHBondContact O-N 2.87Å
47L28.2Very low24.5Very low147 Ų147139 Ų13977%0.7776%0.758SS**THydrogen-bonded Turntrans-74.6-13.1-176.2-156.868.1000113.6
48S25.4Very low24.4Very low82 Ų82136.1 Ų136.157%0.57375%0.753SS**THydrogen-bonded Turntrans-92.3-9.2-178.659.10000114.9L46L46-S48 VanDerWaalsContact C-N 3.26Å; L46-S48 PolarHBondContact O-N 2.87Å
49L25.3Very low24.4Very low141 Ų141135.3 Ų135.374%0.73876%0.758SS**SBendtrans-93.3-11.2175.7-109.882.1000113.9
50L25.3Very low24.3Very low143 Ų143132.5 Ų132.575%0.74975%0.748SS**SBendtrans-95.93.7-177.4-80.1161000114.2
51T25.2Very low24.2Very low108 Ų108128.5 Ų128.566%0.66374%0.738SS**  trans-96.214.6-178.257.50000114.6S53T51-S53 PolarHBondContact O-N 2.86Å
52H23.3Very low24.1Very low166 Ų166130.2 Ų130.277%0.76974%0.739SS**SBendtrans-75.776.7162.4-68.676.1000108.6L54H52-L54 PolarHBondContact O-N 2.81Å; H52-L54 VanDerWaalsContact O-N 3.12Å
53S22Very low24Very low90 Ų90129.9 Ų129.963%0.62973%0.732SS**  trans34.174.1145.4168.80000114T51 Q55T51-S53 PolarHBondContact O-N 2.86Å; S53-Q55 PolarHBondContact O-N 2.69Å
54L23.9Very low24Very low169 Ų169132.1 Ų132.189%0.88574%0.742SS**  trans-6781.9152.7-72.1166000106.5H52H52-L54 PolarHBondContact O-N 2.81Å; H52-L54 VanDerWaalsContact O-N 3.12Å
55Q23.8Very low23.8Very low155 Ų155129.6 Ų129.672%0.72473%0.725SS**  trans-56.4129.9156.6-79.5-171.9-27.800105.7S53 I57S53-Q55 PolarHBondContact O-N 2.69Å; Q55-I57 PolarHBondContact O-N 3.26Å
56P23.2Very low23.6Very low117 Ų117130.7 Ų130.776%0.7673%0.73SS**  trans-54.7112.6171.721.6-29.7000106.5Q58P56-Q58 VanDerWaalsContact C-N 3.34Å; P56-Q58 PolarHBondContact O-N 3.18Å
57I25.4Very low23.3Very low157 Ų157132.6 Ų132.681%0.80574%0.736SS**  trans-55.4111.6162.4-64.9171.4000103.3Q55 S59Q55-I57 PolarHBondContact O-N 3.26Å; I57-S59 PolarHBondContact O-N 3.26Å; I57-S59 VanDerWaalsContact O-N 3.16Å
58Q21.1Very low23.1Very low175 Ų175132.3 Ų132.382%0.81873%0.731SS**  trans-45.3127.9174.8-76-179.4-45.400107.3P56 T60P56-Q58 VanDerWaalsContact C-N 3.34Å; P56-Q58 PolarHBondContact O-N 3.18Å; Q58-T60 PolarHBondContact O-N 2.76Å
59S21.9Very low23Very low121 Ų121135.5 Ų135.585%0.84674%0.739SS**  trans-48.8105.6176.2-55.90000108.7I57 A61I57-S59 PolarHBondContact O-N 3.26Å; I57-S59 VanDerWaalsContact O-N 3.16Å; S59-A61 PolarHBondContact O-N 2.93Å
60T22.5Very low22.9Very low119 Ų119133.4 Ų133.473%0.7373%0.734SS**  trans-68.190.4159.342.80000104.9Q58 F62Q58-T60 PolarHBondContact O-N 2.76Å; T60-F62 PolarHBondContact O-N 3.12Å; T60-F62 VanDerWaalsContact O-N 3.14Å
61A20.7Very low22.8Very low74 Ų74133.7 Ų133.761%0.61274%0.735SS**  trans-51.1121.316100000106.3S59 V63S59-A61 PolarHBondContact O-N 2.93Å; A61-V63 HydrophobicContact CB-CG2 4.06Å; A61-V63 PolarHBondContact O-N 3.09Å
62F23.3Very low22.7Very low193 Ų193136.1 Ų136.185%0.84674%0.742SS**  trans-62.583.4155.6-75.6-91.3000106T60 T64T60-F62 PolarHBondContact O-N 3.12Å; T60-F62 VanDerWaalsContact O-N 3.14Å; F62-T64 VanDerWaalsContact C-N 3.29Å; F62-T64 PolarHBondContact O-N 3.48Å; F62-T64 VanDerWaalsContact O-N 3.11Å
63V19.7Very low22.7Very low106 Ų106133.9 Ų133.964%0.64274%0.74SS**  trans-71.7102.2158.9-167.90000103.2A61 S65A61-V63 HydrophobicContact CB-CG2 4.06Å; A61-V63 PolarHBondContact O-N 3.09Å; V63-S65 PolarHBondContact O-N 3.14Å
64T24.4Very low22.7Very low128 Ų128136.8 Ų136.879%0.78575%0.749SS**  trans-64.766.7153.446.40000106.8F62 N66F62-T64 VanDerWaalsContact C-N 3.29Å; F62-T64 PolarHBondContact O-N 3.48Å; F62-T64 VanDerWaalsContact O-N 3.11Å; T64-N66 PolarHBondContact O-N 2.76Å
65S20.9Very low22.9Very low69 Ų69134.9 Ų134.948%0.48375%0.745SS.*  trans-73.391.716758.50000104.6V63 Q67V63-S65 PolarHBondContact O-N 3.14Å; S65-Q67 PolarHBondContact O-N 2.77Å
66N23.2Very low22.9Very low167 Ų167133 Ų13389%0.89374%0.744SS**  trans-58.764.2139.3-73.2-30.6000107.7T64T64-N66 PolarHBondContact O-N 2.76Å
67Q21.7Very low23Very low157 Ų157134.1 Ų134.173%0.73474%0.744SS**  trans-92.2107.5159.5-86.8-170.7-4.100105S65 I69S65-Q67 PolarHBondContact O-N 2.77Å; Q67-I69 PolarHBondContact O-N 3.11Å
68H23.1Very low23.2Very low142 Ų142134.1 Ų134.166%0.65775%0.745SS**  trans-39.593.1172-153.8-88.6000110.5P70H68-P70 VanDerWaalsContact O-CD 3.27Å; H68-P70 WeakPolarHBondContact O-CD 3.47Å
69I23.2Very low23.6Very low148 Ų148129.3 Ų129.376%0.75974%0.742SS**  trans-71.3115168-59.7177.7000105.2Q67 I71Q67-I69 PolarHBondContact O-N 3.11Å; I69-I71 PolarHBondContact O-N 3.17Å
70P22.6Very low24Very low97 Ų97131.5 Ų131.563%0.6375%0.745SS**  trans-68.8117.9176.3-7.924.2000107.8H68 I72H68-P70 VanDerWaalsContact O-CD 3.27Å; H68-P70 WeakPolarHBondContact O-CD 3.47Å; P70-I72 PolarHBondContact O-N 2.89Å
71I24.2Very low24.4Very low149 Ų149133.1 Ų133.176%0.76475%0.749SS**  trans-69.5111.6165.5-61174.1000106.1I69 T73I69-I71 PolarHBondContact O-N 3.17Å; I71-T73 PolarHBondContact O-N 2.87Å; I71-T73 VanDerWaalsContact O-N 3.14Å
72I22Very low24.8Very low159 Ų159138.8 Ų138.882%0.81576%0.76SS**  trans-71103.1174.6-59.8173.1000107.3P70P70-I72 PolarHBondContact O-N 2.89Å
73T24.9Very low25Very low119 Ų119136.5 Ų136.573%0.7376%0.756SS**  trans-88.8112.9167.438.80000109.8I71 T75I71-T73 PolarHBondContact O-N 2.87Å; I71-T73 VanDerWaalsContact O-N 3.14Å; T73-T75 PolarHBondContact O-N 2.93Å
74N21.9Very low25.3Very low151 Ų151139.7 Ų139.781%0.80777%0.77SS**  trans-85.4101.5173.5-147.50.8000108.2
75T26.8Very low25.4Very low130 Ų130140.6 Ų140.680%0.79877%0.765SS**  trans-135116.8158.744.20000109.3T73T73-T75 PolarHBondContact O-N 2.93Å
76T25.2Very low25.8Very low116 Ų116144.7 Ų144.771%0.71278%0.781SS**  trans-66.8145.2178.7-180000112
77D25.1Very low25.9Very low140 Ų140142.2 Ų142.275%0.74977%0.767SS**  trans86.1116.6149.9-62.4-29.9000122.6
78N29.7Very low26.2Very low156 Ų156143 Ų14383%0.83477%0.773SS**  trans8769.4149.9-67.1-15.1000119.8
79G28.1Very low26.2Very low74 Ų74144.4 Ų144.476%0.76377%0.774SS**  68.488.793.700000117.9
80N31.4Very low26.3Very low168 Ų168145.1 Ų145.190%0.89878%0.779SS**  -157.4112.2126.2-130.3-11.6000109.8K82N80-K82 PolarHBondContact O-N 3.36Å
81D31.6Very low26.4Very low153 Ų153146.2 Ų146.282%0.81878%0.784SS**  trans-61.8120.7-176.2-68.5-54.9000112.5
82K27.7Very low26.3Very low193 Ų193144 Ų14484%0.83978%0.778SS**  trans176.1120136.8-93.1153.5-170.5-177.40108.5N80N80-K82 PolarHBondContact O-N 3.36Å
83N28.2Very low26.5Very low144 Ų144143 Ų14377%0.7777%0.774SS**  trans102.969.6174.8-51.4-24.5000115.8H85N83-H85 PolarHBondContact O-N 2.86Å
84N25.9Very low26.5Very low173 Ų173142 Ų14293%0.92577%0.772SS**  trans-69.183148.5-86.9-20.3000109.2
85H27.1Very low26.6Very low147 Ų147141.9 Ų141.968%0.68177%0.771SS**  trans-126.9123.9158.8-81.5-76000107.6N83 N87N83-H85 PolarHBondContact O-N 2.86Å; H85-N87 PolarHBondContact O-N 3.26Å
86L27.8Very low26.5Very low156 Ų156142.1 Ų142.182%0.81778%0.776SS**  trans-58.177.7162.3-82153.2000108.6M88L86-M88 PolarHBondContact O-N 3.31Å
87N26.5Very low26.4Very low114 Ų114144 Ų14461%0.6178%0.782SS**  trans-84.586.5173.4-102-2000107.6H85 Y89H85-N87 PolarHBondContact O-N 3.26Å; N87-Y89 HydrophobicContact CB-CD2 3.8Å; N87-Y89 HydrophobicContact CB-CE2 4.32Å; N87-Y89 VanDerWaalsContact CG-CD2 3.44Å; N87-Y89 VanDerWaalsContact CG-CE2 3.46Å; N87-Y89 PolarHBondContact O-N 3Å; N87-Y89 VanDerWaalsContact OD1-CE2 3.27Å; N87-Y89 WeakPolarHBondContact OD1-CE2 3.16Å
88M27.2Very low26.3Very low173 Ų173142.6 Ų142.685%0.85278%0.783SS**  trans-75.862.2162.4-148.7-178-57.400108.3L86L86-M88 PolarHBondContact O-N 3.31Å
89Y24.3Very low26.2Very low173 Ų173143.7 Ų143.768%0.67879%0.787SS**  trans-85.5108.5164.2-80.1-76.3000107.3N87 T91N87-Y89 HydrophobicContact CB-CD2 3.8Å; N87-Y89 HydrophobicContact CB-CE2 4.32Å; N87-Y89 VanDerWaalsContact CG-CD2 3.44Å; N87-Y89 VanDerWaalsContact CG-CE2 3.46Å; N87-Y89 PolarHBondContact O-N 3Å; N87-Y89 VanDerWaalsContact OD1-CE2 3.27Å; N87-Y89 WeakPolarHBondContact OD1-CE2 3.16Å; Y89-T91 PolarHBondContact O-N 3.47Å; Y89-T91 PolarHBondContact O-OG1 3.03Å
90N24.2Very low26Very low163 Ų163146.3 Ų146.387%0.87278%0.784SS**  trans-5794.7158.7-109.2-13.5000107.4T92N90-T92 PolarHBondContact O-N 3.39Å
91T23.9Very low25.7Very low119 Ų119145.9 Ų145.973%0.7378%0.782SS**  trans-90.993170.7-37.50000105.1Y89 N93Y89-T91 PolarHBondContact O-N 3.47Å; Y89-T91 PolarHBondContact O-OG1 3.03Å; T91-N93 PolarHBondContact O-N 2.89Å
92T23.2Very low25.3Very low103 Ų103143.5 Ų143.563%0.63278%0.777SS**  trans-68.682.6169.5-230000107.2N90 S94N90-T92 PolarHBondContact O-N 3.39Å; T92-S94 PolarHBondContact O-N 3.01Å
93N25.2Very low25.1Very low139 Ų139140.6 Ų140.674%0.74378%0.779SS**  trans-82.196172.1-162.23.4000108.4T91 N95T91-N93 PolarHBondContact O-N 2.89Å; N93-N95 PolarHBondContact O-N 3.11Å
94S25.2Very low24.9Very low97 Ų97142.1 Ų142.168%0.67879%0.788SS**  trans-59.592.716644.80000110.4T92T92-S94 PolarHBondContact O-N 3.01Å
95N24.6Very low24.9Very low149 Ų149145.1 Ų145.180%0.79779%0.786SS**  trans162.588.2150.1-89.3-14.9000109.6N93N93-N95 PolarHBondContact O-N 3.11Å
96C25.3Very low24.8Very low134 Ų134142.3 Ų142.391%0.90578%0.783SS**  trans-141.293.4159-87.70000109.4
97N22.7Very low24.8Very low156 Ų156140.8 Ų140.883%0.83478%0.78SS**  trans-66.9139.1157.7-76.7-33.4000108.7
98S23.8Very low24.9Very low110 Ų110138.9 Ų138.977%0.76978%0.78SS**  trans60.9110.8166.571.50000118.5
99I27.6Very low24.9Very low179 Ų179138.6 Ų138.692%0.91878%0.777SS**  trans-86105.4151.9-64.8175.5000106.7
100N23.1Very low25.2Very low130 Ų130136.2 Ų136.270%0.69578%0.775SS**  trans-77.6134.2175.4-166.36.8000110S102N100-S102 PolarHBondContact O-N 2.95Å
101N24.2Very low25.5Very low159 Ų159134.6 Ų134.685%0.8576%0.761SS**  trans-57.1113.1170.3-107.4-22.1000110.6
102S23.4Very low25.8Very low103 Ų103137 Ų13772%0.7276%0.764SS**  trans-178.181.3153.643.80000112.4N100N100-S102 PolarHBondContact O-N 2.95Å
103C24.4Very low26Very low132 Ų132138.7 Ų138.789%0.89277%0.765SS**  trans-147.678.8155.3-1000000110.2R105C103-R105 PolarHBondContact O-N 2.78Å; C103-R105 VanDerWaalsContact O-N 3.14Å
104N23.8Very low26.2Very low176 Ų176139.5 Ų139.594%0.94176%0.764SS**  trans-72.489.4160.7-84.9-16.9000108.7
105R25.9Very low26.4Very low236 Ų236137.7 Ų137.789%0.89176%0.755SS**  trans-131121.4159.4-109-175.8175.4-171.7-1.3108.8C103 T107C103-R105 PolarHBondContact O-N 2.78Å; C103-R105 VanDerWaalsContact O-N 3.14Å; R105-T107 PolarHBondContact O-N 2.97Å
106S24.1Very low26.5Very low88 Ų88133.2 Ų133.262%0.61574%0.739SS**  trans-52.1117.8-177.8167.40000112.3A108S106-A108 PolarHBondContact O-N 2.97Å; S106-A108 PolarHBondContact OG-N 3.47Å
107T28.5Very low26.6Very low124 Ų124134.3 Ų134.376%0.76173%0.73SS**THydrogen-bonded Turntrans-71.42.9173.121.90000113.8R105R105-T107 PolarHBondContact O-N 2.97Å
108A28.4Very low26.9Very low73 Ų73132.8 Ų132.860%0.60372%0.717SS**THydrogen-bonded Turntrans-82.4-20.7-175.400000114.6S106S106-A108 PolarHBondContact O-N 2.97Å; S106-A108 PolarHBondContact OG-N 3.47Å
109Q28.1Very low27.2Very low168 Ų168132.7 Ų132.779%0.78571%0.706SS**SBendtrans-96.3-9.4-172.7-75.3-175.4-38.300115.7
110N29.6Very low27.3Very low122 Ų122131.4 Ų131.465%0.65270%0.701SS**SBendtrans-99.2-2.9-179.8-81.5-21.8000114.5
111K31.3Very low27.5Very low129 Ų129128.6 Ų128.656%0.56169%0.692SS**Hα-helixtrans-75.7-27.7-177.9-77.7-171170.8-170.60113.8D162K111-D162 WeakPolarHBondContact CE-OD2 3.26Å; K111-D162 IonicContact NZ-OD2 2.64Å; K111-D162 PolarHBondContact NZ-OD2 3.39Å
112E30.2Very low27.9Very low169 Ų169128.2 Ų128.279%0.7969%0.69SS**Hα-helixtrans-83.1-25.7-174.1-68.9-176.5167.600114
113Q27Very low28.2Very low140 Ų140134.6 Ų134.665%0.65470%0.698SS**Hα-helixtrans-79.9-34.8-178-91179.7-2800114.1E117Q113-E117 PolarHBondContact O-N 2.84Å
114Q30.2Very low28.7Very low155 Ų155132.1 Ų132.172%0.72469%0.687SS**Hα-helixtrans-77.5-28.8-177.7-74.8-175.7-3.300113.6
115A27.8Very low29.1Very low60 Ų60129 Ų12950%0.49667%0.671SS.*Hα-helixtrans-72.1-35173.500000111.9I119A115-I119 WeakPolarHBondContact O-CD1 3.43Å; A115-I119 WeakPolarHBondContact O-CG1 3.21Å
116A26.9Very low29.2Very low55 Ų55122.5 Ų122.546%0.45565%0.648SS.*Hα-helixtrans-70.9-36.3-178.500000113.2
117E26.9Very low29.6Very low156 Ų156124.4 Ų124.473%0.72965%0.651SS**Hα-helixtrans-72.2-29.2177.9-78.7-174.4154.400113.2Q113 I119Q113-E117 PolarHBondContact O-N 2.84Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 2.84Å
118F29.9Very low29.9Very low125 Ų125123.2 Ų123.255%0.54864%0.637SS.*Hα-helixtrans-73-26.2179-139-93.4000113N120F118-N120 VanDerWaalsContact C-N 3.32Å; F118-N120 PolarHBondContact O-N 3.34Å
119I30.6Very low30.1Very low108 Ų108125.7 Ų125.755%0.55463%0.634SS**Hα-helixtrans-74.5-23.7-177.5-67.3168.9000112.1A115 E117 K126A115-I119 WeakPolarHBondContact O-CD1 3.43Å; A115-I119 WeakPolarHBondContact O-CG1 3.21Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 2.84Å; I119-K126 PolarHBondContact O-NZ 3.19Å
120N29.3Very low30.4Very low152 Ų152121.1 Ų121.181%0.81362%0.618SS**THydrogen-bonded Turntrans-96.60.2-174.4-86.4-24.8000115.6F118F118-N120 VanDerWaalsContact C-N 3.32Å; F118-N120 PolarHBondContact O-N 3.34Å
121S27.3Very low30.6Very low71 Ų71119.2 Ų119.250%0.49761%0.607SS.*SBendtrans-102.5146.217665.80000112.4
122N33.2Very low30.7Very low151 Ų151117 Ų11781%0.80760%0.601SS**  trans-20.7130.1-169.3-94.7-39.5000119.3A124N122-A124 PolarHBondContact O-N 3.47Å
123R29.5Very low30.6Very low237 Ų237110.9 Ų110.989%0.89458%0.577SS**THydrogen-bonded Turntrans-55-8-173.2-71.5-178.1173.5-179.5-2.7117.8
124A33.8Very low30.8Very low79 Ų79109.3 Ų109.365%0.65357%0.571SS**THydrogen-bonded Turntrans-82.6-28.5-174.800000114.2N122N122-A124 PolarHBondContact O-N 3.47Å
125N32Very low30.8Very low112 Ų112105.6 Ų105.660%0.59956%0.559SS**Hα-helixtrans-92.2-6.2-170.6-71.9-16.1000114.7Q128 F129N125-Q128 PolarHBondContact O-N 3.46Å; N125-F129 WeakPolarHBondContact O-CB 3.27Å; N125-F129 PolarHBondContact O-N 3.49Å
126K29.7Very low30.9Very low98 Ų98106.9 Ų106.943%0.42656%0.557SS.*Hα-helixtrans-67.3-41.3179.3-71.2-173-180-178.60112I119 V130I119-K126 PolarHBondContact O-NZ 3.19Å; K126-V130 WeakPolarHBondContact O-CB 3.23Å; K126-V130 WeakPolarHBondContact O-CG2 3.45Å; K126-V130 PolarHBondContact O-N 3.23Å
127L32.3Very low30.8Very low128 Ų128108.7 Ų108.767%0.6756%0.559SS**Hα-helixtrans-67.6-41.1177.7-145.492.1000111V130 L131L127-V130 PolarHBondContact O-N 3Å; L127-L131 HydrophobicContact CD2-CD1 4Å; L127-L131 HydrophobicContact CG-CD1 4.23Å; L127-L131 WeakPolarHBondContact O-CB 3.3Å; L127-L131 WeakPolarHBondContact O-CD1 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.32Å; L127-L131 PolarHBondContact O-N 3.2Å
128Q34.9Very low30.9Very low99 Ų99104.4 Ų104.446%0.46355%0.546SS..Hα-helixtrans-64.4-42178.3-169.564.954.300112N125 L131 N132N125-Q128 PolarHBondContact O-N 3.46Å; Q128-L131 PolarHBondContact O-N 2.84Å; Q128-N132 PolarHBondContact NE2-OD1 3.38Å; Q128-N132 VanDerWaalsContact O-CB 3.29Å; Q128-N132 WeakPolarHBondContact O-CB 3.48Å; Q128-N132 PolarHBondContact O-N 3.36Å; Q128-N132 PolarHBondContact O-OD1 3.02Å
129F32.1Very low30.8Very low126 Ų126104.1 Ų104.155%0.55355%0.548SS*.Hα-helixtrans-64.4-44175.3-177.9-94.7000111.7N125 N132 S133N125-F129 WeakPolarHBondContact O-CB 3.27Å; N125-F129 PolarHBondContact O-N 3.49Å; F129-N132 PolarHBondContact O-N 2.69Å; F129-S133 WeakPolarHBondContact O-CB 3.35Å; F129-S133 PolarHBondContact O-N 3.35Å; F129-S133 PolarHBondContact O-OG 2.88Å
130V33.5Very low30.7Very low71 Ų71103.9 Ų103.943%0.4355%0.547SS..Hα-helixtrans-64.4-39.9177.5168.10000111.8K126 L127 S133 M134K126-V130 WeakPolarHBondContact O-CB 3.23Å; K126-V130 WeakPolarHBondContact O-CG2 3.45Å; K126-V130 PolarHBondContact O-N 3.23Å; L127-V130 PolarHBondContact O-N 3Å; V130-S133 WeakPolarHBondContact CA-OG 3.47Å; V130-S133 PolarHBondContact O-OG 3.12Å; V130-S133 VanDerWaalsContact O-OG 3.13Å; V130-M134 HydrophobicContact CG1-CE 3.44Å; V130-M134 VanDerWaalsContact CG1-CE 3.44Å; V130-M134 WeakPolarHBondContact O-CB 3.32Å; V130-M134 PolarHBondContact O-N 3.17Å
131L33.7Very low30.6Very low82 Ų82103.3 Ų103.343%0.42954%0.54SS..Hα-helixtrans-69.1-41.9176.2-71.4167.3000111.7L127 Q128 M134 T135L127-L131 HydrophobicContact CD2-CD1 4Å; L127-L131 HydrophobicContact CG-CD1 4.23Å; L127-L131 WeakPolarHBondContact O-CB 3.3Å; L127-L131 WeakPolarHBondContact O-CD1 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.32Å; L127-L131 PolarHBondContact O-N 3.2Å; Q128-L131 PolarHBondContact O-N 2.84Å; L131-M134 PolarHBondContact O-N 3.28Å; L131-T135 WeakPolarHBondContact O-CB 3.49Å; L131-T135 PolarHBondContact O-N 2.98Å; L131-T135 PolarHBondContact O-OG1 2.89Å
132N33.6Very low30.8Very low82 Ų82105.2 Ų105.244%0.43954%0.544SS..Hα-helixtrans-66.4-37.9176.8-71.7-2.9000111.9Q128 F129 T135 I136Q128-N132 PolarHBondContact NE2-OD1 3.38Å; Q128-N132 VanDerWaalsContact O-CB 3.29Å; Q128-N132 WeakPolarHBondContact O-CB 3.48Å; Q128-N132 PolarHBondContact O-N 3.36Å; Q128-N132 PolarHBondContact O-OD1 3.02Å; F129-N132 PolarHBondContact O-N 2.69Å; N132-T135 PolarHBondContact O-N 3.4Å; N132-I136 WeakPolarHBondContact O-CG1 3.4Å; N132-I136 PolarHBondContact O-N 3.48Å; N132-I136 VanDerWaalsContact O-N 3.14Å
133S29.2Very low30.5Very low42 Ų42100.1 Ų100.129%0.29453%0.527SS..Hα-helixtrans-73.7-34.8177.8450000113.1F129 V130 N137F129-S133 WeakPolarHBondContact O-CB 3.35Å; F129-S133 PolarHBondContact O-N 3.35Å; F129-S133 PolarHBondContact O-OG 2.88Å; V130-S133 WeakPolarHBondContact CA-OG 3.47Å; V130-S133 PolarHBondContact O-OG 3.12Å; V130-S133 VanDerWaalsContact O-OG 3.13Å; S133-N137 PolarHBondContact O-N 3.49Å; S133-N137 VanDerWaalsContact O-N 3.11Å
134M30.4Very low30.4Very low107 Ų10796.4 Ų96.453%0.52752%0.52SS..Hα-helixtrans-63.8-42.5169.1-93.9-173.6-8200112.1V130 L131 I136 N137 S138V130-M134 HydrophobicContact CG1-CE 3.44Å; V130-M134 VanDerWaalsContact CG1-CE 3.44Å; V130-M134 WeakPolarHBondContact O-CB 3.32Å; V130-M134 PolarHBondContact O-N 3.17Å; L131-M134 PolarHBondContact O-N 3.28Å; M134-I136 VanDerWaalsContact C-N 3.35Å; M134-I136 PolarHBondContact O-N 3.45Å; M134-N137 PolarHBondContact O-N 3.04Å; M134-S138 PolarHBondContact O-N 2.94Å; M134-S138 PolarHBondContact O-OG 3.39Å; M134-S138 VanDerWaalsContact O-OG 3.09Å
135T31.4Very low30.1Very low77 Ų7798.7 Ų98.747%0.47253%0.526SS..Hα-helixtrans-64.2-40.2-178.7-490000111.5L131 N132 M139L131-T135 WeakPolarHBondContact O-CB 3.49Å; L131-T135 PolarHBondContact O-N 2.98Å; L131-T135 PolarHBondContact O-OG1 2.89Å; N132-T135 PolarHBondContact O-N 3.4Å; T135-M139 HydrophobicContact CG2-CE 4.09Å; T135-M139 WeakPolarHBondContact O-CG 3.33Å; T135-M139 PolarHBondContact O-N 2.9Å
136I28.4Very low29.9Very low86 Ų8698.3 Ų98.344%0.44153%0.528SS..Hα-helixtrans-72.6-40.7179.3-67.6167.8000111.9N132 M134 S138 M139 L140N132-I136 WeakPolarHBondContact O-CG1 3.4Å; N132-I136 PolarHBondContact O-N 3.48Å; N132-I136 VanDerWaalsContact O-N 3.14Å; M134-I136 VanDerWaalsContact C-N 3.35Å; M134-I136 PolarHBondContact O-N 3.45Å; I136-S138 VanDerWaalsContact C-N 3.31Å; I136-S138 PolarHBondContact O-N 2.98Å; I136-M139 HydrophobicContact CG1-CE 3.97Å; I136-M139 PolarHBondContact O-N 3.04Å; I136-M139 VanDerWaalsContact O-N 3.14Å; I136-L140 HydrophobicContact CG2-CD1 3.69Å; I136-L140 HydrophobicContact CG2-CG 4.31Å; I136-L140 WeakPolarHBondContact O-CG 3.39Å; I136-L140 PolarHBondContact O-N 2.9Å
137N26.3Very low29.6Very low94 Ų94101 Ų10150%0.50355%0.547SS..Hα-helixtrans-63.8-37175.3-83.4-25.1000112.3S133 M134 Q141S133-N137 PolarHBondContact O-N 3.49Å; S133-N137 VanDerWaalsContact O-N 3.11Å; M134-N137 PolarHBondContact O-N 3.04Å; N137-Q141 WeakPolarHBondContact O-CB 3.33Å; N137-Q141 WeakPolarHBondContact O-CG 3.27Å; N137-Q141 PolarHBondContact O-N 2.64Å
138S27.7Very low29.1Very low66 Ų66104.5 Ų104.546%0.46256%0.56SS.*Hα-helixtrans-70-30.5173.3-59.30000113M134 I136 N142M134-S138 PolarHBondContact O-N 2.94Å; M134-S138 PolarHBondContact O-OG 3.39Å; M134-S138 VanDerWaalsContact O-OG 3.09Å; I136-S138 VanDerWaalsContact C-N 3.31Å; I136-S138 PolarHBondContact O-N 2.98Å; S138-N142 VanDerWaalsContact O-CB 3.28Å; S138-N142 WeakPolarHBondContact O-CB 3.37Å; S138-N142 VanDerWaalsContact O-CG 3.24Å; S138-N142 PolarHBondContact O-N 3.13Å; S138-N142 PolarHBondContact O-ND2 2.73Å
139M29Very low28.6Very low119 Ų119104.6 Ų104.659%0.58657%0.571SS**Hα-helixtrans-74.8-35.5174.4-73.6-174.6-62.800112.6T135 I136 G143T135-M139 HydrophobicContact CG2-CE 4.09Å; T135-M139 WeakPolarHBondContact O-CG 3.33Å; T135-M139 PolarHBondContact O-N 2.9Å; I136-M139 HydrophobicContact CG1-CE 3.97Å; I136-M139 PolarHBondContact O-N 3.04Å; I136-M139 VanDerWaalsContact O-N 3.14Å; M139-G143 PolarHBondContact O-N 3.14Å
140L27.4Very low28.2Very low102 Ų102103.9 Ų103.953%0.53458%0.579SS.*Hα-helixtrans-79.1-38.8-179.5-69.7170.4000112.6I136 N142 G143I136-L140 HydrophobicContact CG2-CD1 3.69Å; I136-L140 HydrophobicContact CG2-CG 4.31Å; I136-L140 WeakPolarHBondContact O-CG 3.39Å; I136-L140 PolarHBondContact O-N 2.9Å; L140-N142 VanDerWaalsContact C-N 3.26Å; L140-N142 PolarHBondContact O-N 3.19Å; L140-G143 PolarHBondContact O-N 3.27Å
141Q28.4Very low27.6Very low141 Ų141108.6 Ų108.666%0.65960%0.601SS**Hα-helixtrans-68.2-25.1173.1-74-178.8-9.700113N137N137-Q141 WeakPolarHBondContact O-CB 3.33Å; N137-Q141 WeakPolarHBondContact O-CG 3.27Å; N137-Q141 PolarHBondContact O-N 2.64Å
142N30.1Very low27.1Very low110 Ų110112.1 Ų112.159%0.58862%0.619SS**THydrogen-bonded Turntrans-87.8-4.7174.5-72.1-40.8000113.8S138 L140S138-N142 VanDerWaalsContact O-CB 3.28Å; S138-N142 WeakPolarHBondContact O-CB 3.37Å; S138-N142 VanDerWaalsContact O-CG 3.24Å; S138-N142 PolarHBondContact O-N 3.13Å; S138-N142 PolarHBondContact O-ND2 2.73Å; L140-N142 VanDerWaalsContact C-N 3.26Å; L140-N142 PolarHBondContact O-N 3.19Å
143G27.3Very low26.5Very low44 Ų44114.6 Ų114.645%0.45463%0.632SS.*THydrogen-bonded Turntrans-94-13.4171.800000114.2M139 L140 T146M139-G143 PolarHBondContact O-N 3.14Å; L140-G143 PolarHBondContact O-N 3.27Å; G143-T146 PolarHBondContact O-OG1 3.2Å
144E26.8Very low26.3Very low159 Ų159117.4 Ų117.474%0.74365%0.652SS**THydrogen-bonded Turntrans-95.915-168.6-132.4176.5-171.200114.6
145T28.5Very low25.9Very low128 Ų128118 Ų11879%0.78566%0.662SS**THydrogen-bonded Turntrans-110.92.4172.552.90000114.1
146T26.6Very low25.6Very low103 Ų103120.2 Ų120.263%0.63268%0.675SS**SBendtrans-105.9108.5170.633.10000110.5G143G143-T146 PolarHBondContact O-OG1 3.2Å
147N24.9Very low25.3Very low154 Ų154125.5 Ų125.582%0.82470%0.697SS**  trans86.592.5165-55.3-33.6000117.4S149N147-S149 PolarHBondContact O-N 3.08Å; N147-S149 VanDerWaalsContact O-N 3.07Å
148H21.8Very low25.1Very low203 Ų203125.6 Ų125.694%0.9471%0.705SS**  trans-49.5106.1139-72.6-69.7000110.4
149S23.1Very low24.9Very low100 Ų100130.3 Ų130.370%0.69973%0.725SS**  -179.7117125.2-165.50000109.4N147N147-S149 PolarHBondContact O-N 3.08Å; N147-S149 VanDerWaalsContact O-N 3.07Å
150P23.6Very low24.7Very low111 Ų111132.6 Ų132.672%0.72173%0.734SS**  trans-87.2114.1-178.133.2-27.7000109.7
151L22.2Very low24.7Very low170 Ų170132.4 Ų132.489%0.8974%0.737SS**  trans-11698.4152.7-115.989.4000108.8N153L151-N153 PolarHBondContact O-N 3.45Å
152I22.5Very low24.3Very low157 Ų157129.9 Ų129.981%0.80573%0.728SS**  trans-55120.7172.4-55.7156.5000108
153N22.1Very low24.1Very low134 Ų134132.1 Ų132.172%0.71774%0.739SS**  trans-122109.2157.1-158-6.3000108.4L151 T155L151-N153 PolarHBondContact O-N 3.45Å; N153-T155 PolarHBondContact O-N 3.34Å; N153-T155 VanDerWaalsContact O-N 3.17Å
154S23.8Very low23.8Very low101 Ų101137.6 Ų137.671%0.70676%0.757SS**THydrogen-bonded Turntrans-77.791.4-177.457.70000109.5
155T22.8Very low23.6Very low120 Ų120132.2 Ų132.274%0.73674%0.743SS**THydrogen-bonded Turntrans-167.9-2.4163.512.10000116.2N153N153-T155 PolarHBondContact O-N 3.34Å; N153-T155 VanDerWaalsContact O-N 3.17Å
156T23.7Very low23.5Very low122 Ų122131.1 Ų131.175%0.74875%0.747SS**  trans-98.3126.4177.241.90000111.5S158T156-S158 PolarHBondContact O-N 2.89Å
157H23Very low23.3Very low197 Ų197134.5 Ų134.591%0.91276%0.756SS**  trans-63.381.5169.7-65.1-80.5000110
158S22.8Very low23.3Very low96 Ų96133.4 Ų133.467%0.67175%0.75SS**  trans-66.6136.7160.539.20000108.3T156 Q160T156-S158 PolarHBondContact O-N 2.89Å; S158-Q160 VanDerWaalsContact C-N 3.26Å; S158-Q160 PolarHBondContact O-N 3.05Å
159L23.3Very low23.5Very low165 Ų165131.8 Ų131.886%0.86475%0.749SS**  trans-51.898.7160.9-86.9154.3000107.1T161L159-T161 PolarHBondContact O-N 2.85Å
160Q23.4Very low23.5Very low167 Ų167135 Ų13578%0.7875%0.753SS**  trans-72.980.7170.9-172.9169.6-13.700106.3S158 D162S158-Q160 VanDerWaalsContact C-N 3.26Å; S158-Q160 PolarHBondContact O-N 3.05Å; Q160-D162 PolarHBondContact O-N 2.87Å
161T27Very low23.6Very low98 Ų98135.3 Ų135.360%0.60175%0.752SS**  trans-70.3113.615439.70000105.6L159 L163L159-T161 PolarHBondContact O-N 2.85Å; T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 3.11Å
162D21.7Very low23.6Very low88 Ų88135.9 Ų135.947%0.47175%0.75SS.*  trans-49.1104.4166.9-78.8-24.8000107.5K111 Q160 I164K111-D162 WeakPolarHBondContact CE-OD2 3.26Å; K111-D162 IonicContact NZ-OD2 2.64Å; K111-D162 PolarHBondContact NZ-OD2 3.39Å; Q160-D162 PolarHBondContact O-N 2.87Å; D162-I164 PolarHBondContact O-N 3.11Å
163L24.3Very low23.6Very low157 Ų157134.8 Ų134.882%0.82275%0.745SS**  trans-62.893.6161.2-81.6156.2000105T161 G165T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 3.11Å; L163-G165 PolarHBondContact O-N 3.11Å
164I22.7Very low23.6Very low160 Ų160132.5 Ų132.582%0.82174%0.739SS**  trans-69.790.9160.7-55.1176000103.9D162D162-I164 PolarHBondContact O-N 3.11Å
165G22.3Very low23.7Very low45 Ų45136 Ų13646%0.46474%0.744SS.*  trans-52.7146.6165.700000108.5L163 E167L163-G165 PolarHBondContact O-N 3.11Å; G165-E167 PolarHBondContact O-N 3.05Å
166A25.7Very low23.6Very low105 Ų105138.6 Ų138.687%0.86875%0.748SS**  trans-69.767.5168.200000109.2N168A166-N168 VanDerWaalsContact C-N 3.3Å; A166-N168 PolarHBondContact O-N 3.45Å
167E23.4Very low23.7Very low174 Ų174137.5 Ų137.581%0.81375%0.745SS**  trans-94.768.2165.5-65.2-166.8-156.700107.3G165G165-E167 PolarHBondContact O-N 3.05Å
168N24.2Very low23.8Very low131 Ų131136.5 Ų136.570%0.70174%0.74SS**  trans-166.494160.2-88.7-40.3000108.1A166 Q170A166-N168 VanDerWaalsContact C-N 3.3Å; A166-N168 PolarHBondContact O-N 3.45Å; N168-Q170 PolarHBondContact O-N 3.03Å; N168-Q170 VanDerWaalsContact O-N 3.13Å
169D26.4Very low23.9Very low170 Ų170136.8 Ų136.891%0.90974%0.742SS**SBendtrans-66.3-2.5173.1-87.7-32.8000113.6
170Q23.4Very low23.9Very low168 Ų168136.6 Ų136.679%0.78574%0.741SS**  trans-148.7118.1171.2-66.4-162.4-12.300110.9N168N168-Q170 PolarHBondContact O-N 3.03Å; N168-Q170 VanDerWaalsContact O-N 3.13Å
171V24.5Very low24Very low117 Ų117134.4 Ų134.471%0.70974%0.739SS**  trans-10097.6161.41790000106.9I173V171-I173 HydrophobicContact CG1-CG1 4.16Å; V171-I173 PolarHBondContact O-N 3.44Å
172E21.8Very low23.9Very low181 Ų181135.5 Ų135.585%0.84674%0.742SS**  trans-79.2106.6171.9-160.8176.4-15500108.6S174E172-S174 PolarHBondContact O-N 3.44Å
173I23.9Very low24.1Very low135 Ų135140 Ų14069%0.69276%0.759SS**  trans-83.393174-55.8175.7000107.6V171 Q175V171-I173 HydrophobicContact CG1-CG1 4.16Å; V171-I173 PolarHBondContact O-N 3.44Å; I173-Q175 HydrophobicContact CG2-CG 4.25Å; I173-Q175 PolarHBondContact O-N 3.14Å; I173-Q175 VanDerWaalsContact O-N 3.08Å
174S21.5Very low24.3Very low85 Ų85140.3 Ų140.359%0.59476%0.761SS**  trans-67.1102.3168.8173.90000110.1E172 H176E172-S174 PolarHBondContact O-N 3.44Å; S174-H176 VanDerWaalsContact C-N 3.31Å; S174-H176 PolarHBondContact O-N 3.09Å
175Q25.7Very low24.5Very low176 Ų176138 Ų13882%0.82276%0.757SS**  trans-86.373.4165.5-67.5-170.943.400109.5I173 S177I173-Q175 HydrophobicContact CG2-CG 4.25Å; I173-Q175 PolarHBondContact O-N 3.14Å; I173-Q175 VanDerWaalsContact O-N 3.08Å; Q175-S177 PolarHBondContact O-N 3.11Å
176H21.7Very low24.7Very low174 Ų174144.5 Ų144.581%0.80677%0.774SS**  trans-92.287.8162.7-84.4-16.2000110S174S174-H176 VanDerWaalsContact C-N 3.31Å; S174-H176 PolarHBondContact O-N 3.09Å
177S24.7Very low24.6Very low98 Ų98144.7 Ų144.769%0.68577%0.769SS**SBendtrans-154.499.9161.9-510000110.3Q175Q175-S177 PolarHBondContact O-N 3.11Å
178H25.6Very low24.7Very low177 Ų177147.1 Ų147.182%0.81977%0.772SS**  trans71.586.1158.8-48.6-60.4000119L180H178-L180 PolarHBondContact O-N 2.95Å
179S23.9Very low24.7Very low102 Ų102145.7 Ų145.771%0.71377%0.773SS**  trans-51118.7146.9163.60000111.2
180L24.9Very low24.6Very low160 Ų160142.8 Ų142.884%0.83876%0.761SS**  trans-134.177.7149.9-111.2112000108.1H178 N182H178-L180 PolarHBondContact O-N 2.95Å; L180-N182 PolarHBondContact O-N 3.37Å
181T24.2Very low24.6Very low121 Ų121145.1 Ų145.174%0.74276%0.764SS**  trans-69.3104.8162.742.70000109.6
182N24.7Very low24.7Very low122 Ų122144 Ų14465%0.65276%0.762SS**  trans-128.3122.6146.9-86.7-30.3000103.5L180L180-N182 PolarHBondContact O-N 3.37Å
183H25.9Very low24.8Very low181 Ų181143.8 Ų143.884%0.83876%0.761SS**  -151.3131.161.5-65.1-77.8000112.2
184L28.4Very low25.1Very low165 Ų165146.3 Ų146.386%0.86477%0.77SS**  trans-73.3135.1159.3-149.375.5000108.6H186L184-H186 PolarHBondContact O-N 3.1Å
185P28Very low25.3Very low112 Ų112149.9 Ų149.973%0.72778%0.782SS**  trans-75.9121.3171.130-28.8000109.5
186H26.5Very low25.4Very low180 Ų180149.1 Ų149.183%0.83378%0.778SS**  trans38.6105.1156.1-59.9-19.6000119L184L184-H186 PolarHBondContact O-N 3.1Å
187S24Very low25.6Very low109 Ų109147.4 Ų147.476%0.76278%0.783SS**  trans-163.9117.9137-90.40000112.3
188Y24.5Very low25.6Very low225 Ų225150.7 Ų150.788%0.88279%0.787SS**  trans65.8120.9153.8-69.7-87.3000122.7
189S24.1Very low25.5Very low101 Ų101150 Ų15071%0.70679%0.788SS**  trans91.5108.7134-136.80000121.9
190T25Very low25.4Very low109 Ų109153.8 Ų153.867%0.66980%0.795SS**  trans42.4134.6130.660.20000123
191Y23.5Very low25.4Very low217 Ų217152.9 Ų152.985%0.85179%0.79SS**  trans103.7113.7153.7-75.7-82.5000119.5
192S26.5Very low25.3Very low94 Ų94154.5 Ų154.566%0.65779%0.793SS**  trans80.2111.4131.5-126.50000122.1
193Q24.4Very low25.3Very low177 Ų177155.3 Ų155.383%0.82780%0.797SS**  37.1115.3125.8-60-177.9-6.400119.1
194H28.7Very low25.2Very low188 Ų188152.3 Ų152.387%0.8779%0.794SS**  -150.5115.5129.3-127.3-69.6000111.6
195N25.6Very low25Very low159 Ų159149.6 Ų149.685%0.8579%0.789SS**  trans-70.3123.3168.9-76.8-39.3000109.9
196Q28.8Very low24.8Very low160 Ų160154.1 Ų154.175%0.74880%0.797SS**  trans-138.5130.1150.2-81.4-166.2-16.300108.1Q198Q196-Q198 VanDerWaalsContact C-N 3.28Å; Q196-Q198 PolarHBondContact O-N 3.39Å
197P25.6Very low24.7Very low139 Ų139151.6 Ų151.690%0.90379%0.794SS**  trans-74.98916830.3-28.2000107.7
198Q25.7Very low24.7Very low167 Ų167154.9 Ų154.978%0.7880%0.797SS**  trans-81.9125173.5-151.61729.800108Q196 Q200Q196-Q198 VanDerWaalsContact C-N 3.28Å; Q196-Q198 PolarHBondContact O-N 3.39Å; Q198-Q200 PolarHBondContact O-N 3.11Å
199L23.2Very low24.7Very low161 Ų161149.7 Ų149.784%0.84379%0.794SS**  trans-45.8112.4172.7-78.8149000109.6I201L199-I201 PolarHBondContact O-N 2.88Å
200Q22.3Very low24.7Very low182 Ų182150.8 Ų150.885%0.8580%0.796SS**  trans-67.289167.8-99.1177-200107.9Q198 L202Q198-Q200 PolarHBondContact O-N 3.11Å; Q200-L202 PolarHBondContact O-N 2.64Å
201I23.3Very low24.7Very low142 Ų142152.7 Ų152.773%0.72880%0.797SS**  trans-67.9105.9154-59.6175.6000104L199 D203L199-I201 PolarHBondContact O-N 2.88Å; I201-D203 PolarHBondContact O-N 2.74Å
202L22.3Very low24.7Very low154 Ų154151.1 Ų151.181%0.80680%0.798SS**  trans-59.1105.7166.4-82.7118.3000106.9Q200Q200-L202 PolarHBondContact O-N 2.64Å
203D24.4Very low24.7Very low140 Ų140151.3 Ų151.375%0.74980%0.799SS**  trans-53.3129.3166.1-80.1-39.3000107.7I201 S205I201-D203 PolarHBondContact O-N 2.74Å; D203-S205 PolarHBondContact O-N 3.05Å; D203-S205 VanDerWaalsContact O-N 3.16Å
204P24.1Very low24.7Very low117 Ų117148 Ų14876%0.7680%0.796SS**  trans-55.8128.5173.921.9-29.7000107.9K206P204-K206 PolarHBondContact O-N 3.29Å
205S24.2Very low24.7Very low109 Ų109146.3 Ų146.376%0.76279%0.791SS**  trans-41.3126.2176.4-1570000109D203 V207D203-S205 PolarHBondContact O-N 3.05Å; D203-S205 VanDerWaalsContact O-N 3.16Å; S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 WeakPolarHBondContact O-CG2 3.44Å; S205-V207 PolarHBondContact O-N 2.75Å
206K25Very low24.8Very low207 Ų207144.2 Ų144.290%0.979%0.789SS**  trans-54.493.2178.9-75.6-178.5178.5178.70108.8P204 Q208P204-K206 PolarHBondContact O-N 3.29Å; K206-Q208 PolarHBondContact O-N 3.14Å
207V23.3Very low24.7Very low127 Ų127139.5 Ų139.577%0.7778%0.783SS**  trans-66.9119.1166.1-173.20000104.3S205 S209S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 WeakPolarHBondContact O-CG2 3.44Å; S205-V207 PolarHBondContact O-N 2.75Å; V207-S209 PolarHBondContact O-N 3.42Å; V207-S209 VanDerWaalsContact O-N 3.17Å
208Q23.8Very low24.9Very low177 Ų177138.5 Ų138.583%0.82777%0.769SS**  trans-47.5127.7170.3-81.2177.4-26.600107.7K206 V210K206-Q208 PolarHBondContact O-N 3.14Å; Q208-V210 PolarHBondContact O-N 3.37Å
209S24.4Very low24.9Very low116 Ų116137.8 Ų137.881%0.81177%0.771SS**  trans-49.7110.3171.950.40000107.5V207 Q211V207-S209 PolarHBondContact O-N 3.42Å; V207-S209 VanDerWaalsContact O-N 3.17Å; S209-Q211 PolarHBondContact O-N 2.82Å
210V24.4Very low25.1Very low124 Ų124139 Ų13975%0.75277%0.766SS**  trans-59.7110.9173.6-177.80000105Q208 Q212Q208-V210 PolarHBondContact O-N 3.37Å; V210-Q212 PolarHBondContact O-N 3.2Å
211Q24.6Very low25.3Very low149 Ų149138.7 Ų138.770%0.69676%0.764SS**  trans-52.9110.6176.8-172.6171.6-0.300107.1S209 S213S209-Q211 PolarHBondContact O-N 2.82Å; Q211-S213 PolarHBondContact O-N 3.42Å; Q211-S213 VanDerWaalsContact O-N 3.11Å
212Q24.4Very low25.4Very low184 Ų184136.9 Ų136.986%0.8676%0.761SS**  trans-51.1122177.4-93.1177.7-30.900107.8V210 S214V210-Q212 PolarHBondContact O-N 3.2Å; Q212-S214 PolarHBondContact O-N 3.38Å
213S25.5Very low25.6Very low99 Ų99135 Ų13569%0.69276%0.759SS**  trans-59.4110.9175-47.90000108Q211 I215Q211-S213 PolarHBondContact O-N 3.42Å; Q211-S213 VanDerWaalsContact O-N 3.11Å; S213-I215 PolarHBondContact O-N 2.88Å
214S24.7Very low25.5Very low108 Ų108134.9 Ų134.976%0.75576%0.763SS**  trans-74.1123169.551.70000108.3Q212 S216Q212-S214 PolarHBondContact O-N 3.38Å; S214-S216 PolarHBondContact O-N 3.13Å; S214-S216 VanDerWaalsContact O-N 3.11Å
215I29.8Very low25.5Very low151 Ų151135.9 Ų135.977%0.77477%0.766SS**  trans-74.9101.4169.6-62.8171.1000106.5S213 G217S213-I215 PolarHBondContact O-N 2.88Å; I215-G217 PolarHBondContact O-N 2.64Å
216S26.2Very low25.5Very low115 Ų115135.4 Ų135.480%0.80476%0.763SS**  trans-84.689.5173.21590000109.2S214S214-S216 PolarHBondContact O-N 3.13Å; S214-S216 VanDerWaalsContact O-N 3.11Å
217G27.6Very low25.4Very low61 Ų61134.1 Ų134.163%0.62976%0.76SS**  trans85.8132.3165.900000115.4I215I215-G217 PolarHBondContact O-N 2.64Å
218I29.6Very low25.5Very low118 Ų118136.4 Ų136.461%0.60577%0.768SS**  trans-102.3109.2165.2-58.6171.2000105.7Y220I218-Y220 HydrophobicContact CB-CE2 4.02Å; I218-Y220 HydrophobicContact CG2-CD2 3.93Å; I218-Y220 HydrophobicContact CG2-CE1 4.36Å; I218-Y220 HydrophobicContact CG2-CE2 3.49Å; I218-Y220 VanDerWaalsContact CG2-CE2 3.49Å; I218-Y220 PolarHBondContact O-N 3.23Å
219N25.7Very low25.4Very low152 Ų152134.8 Ų134.881%0.81376%0.764SS**  trans-84.8108.7172.5-84.5-26.9000109.1
220Y27Very low25.5Very low187 Ų187136.2 Ų136.273%0.73377%0.768SS**  trans-81.7113.9169.8-69.3-89.5000108.9I218 P222I218-Y220 HydrophobicContact CB-CE2 4.02Å; I218-Y220 HydrophobicContact CG2-CD2 3.93Å; I218-Y220 HydrophobicContact CG2-CE1 4.36Å; I218-Y220 HydrophobicContact CG2-CE2 3.49Å; I218-Y220 VanDerWaalsContact CG2-CE2 3.49Å; I218-Y220 PolarHBondContact O-N 3.23Å; Y220-P222 VanDerWaalsContact O-CD 3.28Å; Y220-P222 WeakPolarHBondContact O-CD 3.45Å
221H26.5Very low25.5Very low176 Ų176135.4 Ų135.482%0.81576%0.764SS**  trans-87.9108.7161.7-83.4-69.9000108
222P25Very low25.6Very low104 Ų104135.9 Ų135.968%0.67577%0.771SS**  trans-63.5140.5170.525.7-31.4000108.9Y220 T224Y220-P222 VanDerWaalsContact O-CD 3.28Å; Y220-P222 WeakPolarHBondContact O-CD 3.45Å; P222-T224 PolarHBondContact O-N 3.35Å; P222-T224 VanDerWaalsContact O-N 3.14Å
223P27.4Very low25.6Very low115 Ų115130 Ų13075%0.74776%0.76SS**  trans-60.8119.6171.823.7-30.3000108.8V225P223-V225 PolarHBondContact O-N 2.98Å
224T22.7Very low25.7Very low137 Ų137132 Ų13284%0.8476%0.758SS**  trans-66.9105168.223.80000108.7P222 S226P222-T224 PolarHBondContact O-N 3.35Å; P222-T224 VanDerWaalsContact O-N 3.14Å; T224-S226 PolarHBondContact O-N 2.68Å
225V24.1Very low25.9Very low137 Ų137130.8 Ų130.883%0.8375%0.747SS**  trans-84.284.5172.2-163.30000107.7P223P223-V225 PolarHBondContact O-N 2.98Å
226S23.9Very low25.8Very low100 Ų100129.5 Ų129.570%0.69974%0.737SS**  trans-90.5112.6165.659.60000108.8T224T224-S226 PolarHBondContact O-N 2.68Å
227E23.2Very low25.9Very low180 Ų180130 Ų13084%0.84172%0.722SS**SBendtrans48.199.7158.4-60.8-177.7179.200117.5L229E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.08Å
228N24.7Very low25.9Very low174 Ų174132.8 Ų132.893%0.9372%0.722SS**SBendtrans57.316.7146.7-85.2-12.7000120.9
229L22.9Very low25.8Very low143 Ų143132.8 Ų132.875%0.74972%0.722SS**  trans-127.3102.8164.4-81.7153.9000109.4E227 T231E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.08Å; L229-T231 PolarHBondContact O-N 3.44Å
230V24.6Very low25.9Very low147 Ų147129.7 Ų129.789%0.89171%0.708SS**  trans-69.379.6159.4-176.80000106.4
231T24.7Very low25.9Very low107 Ų107122.4 Ų122.466%0.65669%0.691SS**  trans-69.1133.7158.442.60000106.3L229 G233L229-T231 PolarHBondContact O-N 3.44Å; T231-G233 VanDerWaalsContact C-N 3.25Å; T231-G233 PolarHBondContact O-N 2.76Å
232N27.4Very low25.8Very low159 Ų159117.8 Ų117.885%0.8568%0.683SS**  trans-50.792.3173.5-78.7-30000109.2Q234N232-Q234 PolarHBondContact O-N 3.05Å
233G23.7Very low25.8Very low61 Ų61116.6 Ų116.663%0.62968%0.675SS**  trans-73.597.7-17400000108.2T231 T235T231-G233 VanDerWaalsContact C-N 3.25Å; T231-G233 PolarHBondContact O-N 2.76Å; G233-T235 PolarHBondContact O-N 3.18Å; G233-T235 VanDerWaalsContact O-N 3.08Å
234Q28.6Very low25.8Very low139 Ų139116.7 Ų116.765%0.6567%0.669SS**  trans-54.2115.1164.3-70.4171.96.500107.1N232 H236N232-Q234 PolarHBondContact O-N 3.05Å; Q234-H236 PolarHBondContact O-CD2 3.37Å; Q234-H236 PolarHBondContact O-N 3.27Å; Q234-H236 VanDerWaalsContact O-N 3.11Å
235T29.3Very low25.9Very low84 Ų84114.2 Ų114.252%0.51567%0.671SS.*  trans-73.2101.9171.3-45.50000107.1G233 Y237G233-T235 PolarHBondContact O-N 3.18Å; G233-T235 VanDerWaalsContact O-N 3.08Å; T235-Y237 HydrophobicContact CG2-CD2 4.46Å; T235-Y237 HydrophobicContact CG2-CE1 4.15Å; T235-Y237 HydrophobicContact CG2-CE2 3.86Å; T235-Y237 PolarHBondContact O-N 2.97Å
236H27.9Very low25.9Very low123 Ų123111.4 Ų111.457%0.56965%0.654SS**  trans-81.3108.8175.7-68.2-103.4000109Q234Q234-H236 PolarHBondContact O-CD2 3.37Å; Q234-H236 PolarHBondContact O-N 3.27Å; Q234-H236 VanDerWaalsContact O-N 3.11Å
237Y28.3Very low26.1Very low126 Ų126111.3 Ų111.349%0.49465%0.646SS.*  trans-85.4112.5170.2-62.4-83.3000109.4T235T235-Y237 HydrophobicContact CG2-CD2 4.46Å; T235-Y237 HydrophobicContact CG2-CE1 4.15Å; T235-Y237 HydrophobicContact CG2-CE2 3.86Å; T235-Y237 PolarHBondContact O-N 2.97Å
238L26.5Very low26.6Very low119 Ų119109.3 Ų109.362%0.62365%0.648SS**  trans-88108165.2-101.188.4000109I253L238-I253 HydrophobicContact CD2-CG2 4.43Å
239I28.7Very low26.7Very low118 Ų118105.3 Ų105.361%0.60563%0.634SS**  trans-87.9107.4165.1-59.8173.2000106.8F254 I258I239-F254 VanDerWaalsContact O-CD2 3.23Å; I239-F254 WeakPolarHBondContact O-CD2 3.28Å; I239-I258 HydrophobicContact CD1-CD1 4.5Å
240T26.8Very low27Very low87 Ų87105.1 Ų105.153%0.53463%0.629SS.*  trans-9796.8170.451.40000109.2T251T240-T251 HydrophobicContact CG2-CG2 4.36Å
241G26.4Very low27.2Very low35 Ų35103.5 Ų103.536%0.36162%0.619SS.*  trans-97.9116.1167.600000110.2P243 F254G241-P243 VanDerWaalsContact O-CD 3.3Å; G241-P243 WeakPolarHBondContact O-CD 3.4Å; G241-F254 WeakPolarHBondContact O-CE2 3.37Å
242A24.3Very low27.3Very low78 Ų78101.6 Ų101.665%0.64561%0.608SS**  trans-80.7115.7166.500000108.1N244A242-N244 PolarHBondContact O-N 2.91Å
243P26.2Very low27.3Very low80 Ų8099.7 Ų99.752%0.51960%0.596SS.*  trans-61134168.523.8-29000108.4G241 G245 T246G241-P243 VanDerWaalsContact O-CD 3.3Å; G241-P243 WeakPolarHBondContact O-CD 3.4Å; P243-G245 PolarHBondContact O-N 2.81Å; P243-T246 PolarHBondContact O-N 2.87Å; P243-T246 PolarHBondContact O-OG1 3.2Å
244N25.9Very low27.5Very low117 Ų117101.6 Ų101.663%0.62659%0.587SS**THydrogen-bonded Turntrans-48115.3176.2-82.1-20.8000109.7A242A242-N244 PolarHBondContact O-N 2.91Å
245G25.4Very low27.3Very low84 Ų8499.2 Ų99.287%0.86659%0.592SS**THydrogen-bonded Turntrans121.6-3.3173.100000117.1P243P243-G245 PolarHBondContact O-N 2.81Å
246T25.1Very low27.2Very low79 Ų79100 Ų10049%0.48559%0.593SS.*SBendtrans-111.5130.7175.542.30000112.8P243P243-T246 PolarHBondContact O-N 2.87Å; P243-T246 PolarHBondContact O-OG1 3.2Å
247N27.2Very low27.1Very low98 Ų98101.2 Ų101.252%0.52460%0.598SS.*  trans-33.1130.1-179.6-170.4-11.7000114.3S249 H250N247-S249 PolarHBondContact O-N 2.78Å; N247-S249 PolarHBondContact OD1-N 2.92Å; N247-S249 PolarHBondContact OD1-OG 2.74Å; N247-S249 VanDerWaalsContact OD1-OG 3.11Å; N247-H250 PolarHBondContact O-N 2.83Å
248P33.8Very low27.1Very low137 Ų13799.3 Ų99.389%0.8960%0.596SS**THydrogen-bonded Turntrans-57.1-10.3179.421.2-33.8000115.2
249S28Very low27.1Very low90 Ų90101.5 Ų101.563%0.62960%0.603SS**THydrogen-bonded Turntrans-80.6-9.4173.7-370000114.7N247N247-S249 PolarHBondContact O-N 2.78Å; N247-S249 PolarHBondContact OD1-N 2.92Å; N247-S249 PolarHBondContact OD1-OG 2.74Å; N247-S249 VanDerWaalsContact OD1-OG 3.11Å
250H27.4Very low27.1Very low139 Ų13999.7 Ų99.764%0.64460%0.598SS**  trans-102.792.3-178.1-98.2-109.1000111.3N247 T252N247-H250 PolarHBondContact O-N 2.83Å; H250-T252 PolarHBondContact O-N 3.43Å; H250-T252 VanDerWaalsContact O-N 3.11Å
251T29.7Very low26.9Very low113 Ų113100 Ų10069%0.69360%0.604SS**  trans-68.6102.9165.3-5.90000108.1T240 I253T240-T251 HydrophobicContact CG2-CG2 4.36Å; T251-I253 PolarHBondContact O-N 2.86Å
252T27Very low26.8Very low67 Ų67103.6 Ų103.641%0.41162%0.62SS.*  trans-84104.8169.5-51.20000107.1H250 F254H250-T252 PolarHBondContact O-N 3.43Å; H250-T252 VanDerWaalsContact O-N 3.11Å; T252-F254 PolarHBondContact O-N 3.14Å
253I26.8Very low26.8Very low119 Ų119107.3 Ų107.361%0.6163%0.629SS**  trans-73.6110.5173.7-58.8172.5000106.6L238 T251 A255L238-I253 HydrophobicContact CD2-CG2 4.43Å; T251-I253 PolarHBondContact O-N 2.86Å; I253-A255 PolarHBondContact O-N 3.29Å; I253-A255 VanDerWaalsContact O-N 3.17Å
254F28.2Very low26.7Very low101 Ų101109.3 Ų109.344%0.44364%0.639SS.*  trans-70.8110.1166.6-70.2-88.4000107.7I239 G241 T252 N256I239-F254 VanDerWaalsContact O-CD2 3.23Å; I239-F254 WeakPolarHBondContact O-CD2 3.28Å; G241-F254 WeakPolarHBondContact O-CE2 3.37Å; T252-F254 PolarHBondContact O-N 3.14Å; F254-N256 PolarHBondContact O-N 2.85Å
255A24.4Very low26.5Very low90 Ų90111.2 Ų111.274%0.74465%0.649SS**  trans-72.952.6165.600000110.3I253I253-A255 PolarHBondContact O-N 3.29Å; I253-A255 VanDerWaalsContact O-N 3.17Å
256N27Very low26.5Very low101 Ų101113.4 Ų113.454%0.5464%0.639SS.*  trans-94.489.6160.4-78.1-15.2000105.7F254 I258F254-N256 PolarHBondContact O-N 2.85Å; N256-I258 VanDerWaalsContact C-N 3.26Å; N256-I258 PolarHBondContact O-N 3.14Å
257H26Very low26.4Very low147 Ų147114.2 Ų114.268%0.68165%0.646SS**  trans-52.8101.2154.4-87.2-96.9000106.5Q259H257-Q259 PolarHBondContact O-N 3Å
258I27.9Very low26.2Very low87 Ų87118.7 Ų118.745%0.44666%0.664SS.*  trans-68.386.8153.5-57.4-179.5000103.4I239 N256 T260I239-I258 HydrophobicContact CD1-CD1 4.5Å; N256-I258 VanDerWaalsContact C-N 3.26Å; N256-I258 PolarHBondContact O-N 3.14Å; I258-T260 HydrophobicContact CG2-CG2 4.07Å; I258-T260 PolarHBondContact O-N 2.82Å
259Q26.7Very low25.8Very low165 Ų165117.4 Ų117.477%0.77165%0.648SS**  trans-66.489.8159.7-149.8177.7-14.300103.4H257 S261H257-Q259 PolarHBondContact O-N 3Å; Q259-S261 PolarHBondContact O-N 3.43Å
260T28.7Very low25.5Very low80 Ų80119.1 Ų119.149%0.49165%0.65SS.*  trans-53118157.245.60000103.8I258I258-T260 HydrophobicContact CG2-CG2 4.07Å; I258-T260 PolarHBondContact O-N 2.82Å
261S23.9Very low25.3Very low94 Ų94122.2 Ų122.266%0.65766%0.658SS**  trans-44.1145166.7-81.40000107.5Q259 L263Q259-S261 PolarHBondContact O-N 3.43Å; S261-L263 PolarHBondContact O-N 3.01Å
262P22.8Very low25Very low109 Ų109123.1 Ų123.171%0.70866%0.658SS**  trans-46.7130.316823.5-31.8000105.7T264P262-T264 PolarHBondContact O-N 3.28Å
263L24.5Very low24.9Very low157 Ų157123.9 Ų123.982%0.82267%0.672SS**  trans-43.998.6164.9-81.7144000105.1S261 L265S261-L263 PolarHBondContact O-N 3.01Å; L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.21Å
264T24.1Very low24.7Very low122 Ų122124.1 Ų124.175%0.74868%0.682SS**  trans-59.1111.4169.9-49.40000101.2P262 I266P262-T264 PolarHBondContact O-N 3.28Å; T264-I266 VanDerWaalsContact C-N 3.32Å; T264-I266 PolarHBondContact O-N 2.95Å
265L22.4Very low24.4Very low157 Ų157125 Ų12582%0.82270%0.701SS**  trans-2799.8176.8-80.6134000108.3L263 P267L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.21Å; L265-P267 VanDerWaalsContact C-N 3.33Å; L265-P267 VanDerWaalsContact O-CD 3.26Å; L265-P267 WeakPolarHBondContact O-CD 3.28Å
266I24.5Very low24.4Very low129 Ų129127.8 Ų127.866%0.66270%0.702SS**  trans-58.8114156.7-61.2173.4000100.2T264 E268T264-I266 VanDerWaalsContact C-N 3.32Å; T264-I266 PolarHBondContact O-N 2.95Å; I266-E268 PolarHBondContact O-N 3.32Å
267P23Very low24.3Very low97 Ų97130.5 Ų130.563%0.6372%0.715SS**  trans-49.9128.118019-29.1000106.2L265 I269L265-P267 VanDerWaalsContact C-N 3.33Å; L265-P267 VanDerWaalsContact O-CD 3.26Å; L265-P267 WeakPolarHBondContact O-CD 3.28Å; P267-I269 VanDerWaalsContact C-N 3.28Å; P267-I269 PolarHBondContact O-N 3.07Å
268E24.4Very low24.3Very low192 Ų192129.6 Ų129.690%0.89771%0.711SS**  trans-48.3105.1168.8-88.4177.9143.400106I266 D270I266-E268 PolarHBondContact O-N 3.32Å; E268-D270 PolarHBondContact O-N 2.91Å
269I23.9Very low24.2Very low109 Ų109131.4 Ų131.456%0.55973%0.726SS**  trans-74.696.4165.1-58.7177.2000101.8P267 Y271P267-I269 VanDerWaalsContact C-N 3.28Å; P267-I269 PolarHBondContact O-N 3.07Å; I269-Y271 VanDerWaalsContact C-N 3.26Å; I269-Y271 HydrophobicContact CB-CD2 4.26Å; I269-Y271 HydrophobicContact CB-CE2 3.85Å; I269-Y271 HydrophobicContact CG2-CD2 4.12Å; I269-Y271 HydrophobicContact CG2-CE1 4.33Å; I269-Y271 HydrophobicContact CG2-CE2 3.78Å; I269-Y271 WeakPolarHBondContact O-CD2 3.09Å; I269-Y271 PolarHBondContact O-N 3.43Å
270D21.7Very low24.1Very low127 Ų127134.6 Ų134.668%0.67973%0.733SS**  trans-61.894.9175.6-154.4-11.1000106.5E268 N272E268-D270 PolarHBondContact O-N 2.91Å; D270-N272 PolarHBondContact O-N 3.17Å; D270-N272 PolarHBondContact OD1-ND2 3.07Å
271Y24Very low24Very low203 Ų203142.3 Ų142.380%0.79675%0.752SS**  trans-7538.7174.2-76.5-82.3000110.4I269 A273I269-Y271 VanDerWaalsContact C-N 3.26Å; I269-Y271 HydrophobicContact CB-CD2 4.26Å; I269-Y271 HydrophobicContact CB-CE2 3.85Å; I269-Y271 HydrophobicContact CG2-CD2 4.12Å; I269-Y271 HydrophobicContact CG2-CE1 4.33Å; I269-Y271 HydrophobicContact CG2-CE2 3.78Å; I269-Y271 WeakPolarHBondContact O-CD2 3.09Å; I269-Y271 PolarHBondContact O-N 3.43Å; Y271-A273 PolarHBondContact O-N 3.36Å
272N23.8Very low24.2Very low132 Ų132146 Ų14671%0.70677%0.765SS**  trans-90.2100.4165.4-90.6-36.6000109D270D270-N272 PolarHBondContact O-N 3.17Å; D270-N272 PolarHBondContact OD1-ND2 3.07Å
273A23.6Very low24.6Very low84 Ų84148.1 Ų148.169%0.69481%0.806SS**  trans-0.1132.4145.600000117Y271Y271-A273 PolarHBondContact O-N 3.36Å
274C22.6Very low24.6Very low123 Ų123147.7 Ų147.783%0.83181%0.806SS**  trans104.7111.4152-67.40000118.1
275S23.5Very low24.6Very low120 Ų120149 Ų14984%0.83981%0.809SS**  trans97.2108.3150.578.20000118.2
276I24.3Very low24.7Very low148 Ų148148.6 Ų148.676%0.75981%0.808SS**  trans-59.3138.5151-60.9162.8000108.3
277I25.1Very low24.7Very low159 Ų159149.7 Ų149.782%0.81582%0.816SS**  177134.9128.5-83.6152.3000110.2
278H25.9Very low24.9Very low128 Ų128153 Ų15359%0.59383%0.828SS**  trans-52.9162.4-178.9-62.5-100.3000114.6
279T24.7Very low24.9Very low124 Ų124150.4 Ų150.476%0.76182%0.823SS**  179.5147.151.8-35.50000108.9
280Y24Very low25Very low233 Ų233153.4 Ų153.491%0.91484%0.842SS**  trans-110.3122.6155.8-80.7-83.7000109.5
281R26.7Very low25.2Very low241 Ų241155.4 Ų155.491%0.90986%0.855SS**  trans-153.5124142.6-140.5175.9-170.4169.93.1110.9
282N29.8Very low25.3Very low172 Ų172151.4 Ų151.492%0.9286%0.86SS**  trans-61.2134.4165.6-77-34.6000110.3
283G29.9Very low25.4Very low153 Ų153153.2 Ų153.2100%1.57787%0.874SS**  trans159.60175.900000111.2

Retrieved 283 of 283 residues in 61.9 ms (Link to these results)