A0A096MTV9_PAPAN Loading...

Testis specific 13

AlphaFold DB , UniProt , Accession A0A096MTV9, Species PAPAN (Papio anubis, Olive baboon), Gene TSGA13, Length 275 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
1M35.4Very low35Very low246 Ų246181.1 Ų181.1100%1.21287%0.871SS**  0137.30-73.8-72.5-138.100108.8
2S31.9Very low34.6Very low120 Ų120172.8 Ų172.884%0.83987%0.868SS**  trans-71.2148.5-149.9-61.40000119.4
3Q34.3Very low34.9Very low182 Ų182175.8 Ų175.885%0.8587%0.872SS**  trans10.5136.1137.9-66.3-175.4-12.400122.3
4K41Very low35.2Very low193 Ų193172.4 Ų172.484%0.83987%0.873SS**  trans24.8134.5132.8-77.1176.9170.9174.20118.8
5R35.7Very low35.1Very low244 Ų244173.7 Ų173.792%0.92187%0.871SS**  179149.1105.1-96.3168.5-173.5-173.72.7113.4
6Q42.1Very low35.1Very low189 Ų189170.8 Ų170.888%0.88387%0.865SS**  trans-70.5158.4167.4-64170.4-29.300111.7
7T35Very low34.8Very low141 Ų141168.1 Ų168.187%0.86587%0.865SS**  trans-143.9129.3155.9-1.80000112.1
8K34.2Very low34.6Very low179 Ų179167.4 Ų167.478%0.77886%0.858SS**  trans-81.2-179.8167.7-86176.5170.7176.40110.8
9F31.3Very low34.4Very low169 Ų169165.9 Ų165.974%0.74185%0.852SS**  trans117.5104.7151.8-65.7-72.7000112.9
10Q32.4Very low34.4Very low167 Ų167163.8 Ų163.878%0.7885%0.852SS**  88121.169.1-87.3-162.2-400114.3
11N31.7Very low34.5Very low162 Ų162161.6 Ų161.687%0.86685%0.851SS**  trans14.9123141.4-78.4-17.7000119.2
12G29.7Very low34.4Very low81 Ų81154.7 Ų154.784%0.83583%0.833SS**  trans-129.4109152.800000110.4
13K38.5Very low34.6Very low213 Ų213158.9 Ų158.993%0.92684%0.836SS**  trans-71.5143.3161.5-79.6175.9172.7176.30108.8
14S39.2Very low34.5Very low127 Ų127162.4 Ų162.489%0.88884%0.842SS**  trans-124.3142.5152.153.80000110.2
15K34.4Very low34.3Very low193 Ų193162 Ų16284%0.83984%0.843SS**  trans-94.5145.5-166.1-85.9176.8173.3179.70111.7
16T34.1Very low34.5Very low126 Ų126160.4 Ų160.477%0.77384%0.842SS**  trans40126.2143.9-8.50000121.2
17S29.8Very low33.8Very low125 Ų125155 Ų15587%0.87484%0.837SS**  trans-149140.3130.5-169.10000110.4
18E31.7Very low33.5Very low156 Ų156156.6 Ų156.673%0.72984%0.837SS**  trans-84.3161.9-166.9-113172.8169.300113.4
19N30.6Very low33.4Very low139 Ų139154.1 Ų154.174%0.74384%0.837SS**  trans84106.5153.8-55.4-23.8000119.3
20S34.3Very low33.7Very low123 Ų123151.9 Ų151.986%0.8684%0.836SS**  -178.3141.8105.645.60000112.3
21S37.1Very low33.8Very low118 Ų118150.8 Ų150.883%0.82584%0.836SS**  trans-74.7135179.450.80000113
22A33.4Very low34.3Very low101 Ų101146.1 Ų146.184%0.83583%0.826SS**  trans-169.4136.214200000111.9
23K35.7Very low34.8Very low208 Ų208152 Ų15290%0.90483%0.828SS**  trans-35.8131.5177.3-71.3165.3171.2175.70114.9
24R33.5Very low35.2Very low257 Ų257148.4 Ų148.497%0.9782%0.815SS**  trans-93.3109.1155.5-85.2-167.5176-170.7-0.4109.5
25E35.3Very low35.4Very low185 Ų185150 Ų15086%0.86481%0.812SS**  trans-82160.1165-154.5168.8-170.600110.2
26K40.8Very low35.8Very low209 Ų209149.9 Ų149.991%0.90981%0.808SS**  trans-57.2155.8-161.9-66.8164.4174.4172.70116.2
27G27.4Very low36.3Very low75 Ų75150.4 Ų150.477%0.77381%0.806SS**  trans126.696140.700000114.9
28M28.5Very low37.3Very low176 Ų176149.6 Ų149.687%0.86781%0.807SS**  trans-108.678.4161.1-155175.978.700108.5V30M28-V30 HydrophobicContact CE-CG2 4.37Å
29V31.8Very low38.1Very low126 Ų126148 Ų14876%0.76481%0.807SS**  trans-79.6109.1161.4171.60000106N31V29-N31 PolarHBondContact O-N 3.18Å
30V38Very low39.2Very low122 Ų122144.6 Ų144.674%0.73981%0.805SS**  trans-70.998.9172171.80000107.1M28 G32M28-V30 HydrophobicContact CE-CG2 4.37Å; V30-G32 PolarHBondContact O-N 3.39Å
31N34.8Very low40.2Very low145 Ų145150.1 Ų150.178%0.77581%0.807SS**  trans-71.7108.2-179.3-146.814.4000108.9V29 K33V29-N31 PolarHBondContact O-N 3.18Å; N31-K33 PolarHBondContact O-N 3.42Å
32G41.8Very low41.5Very low63 Ų63148.1 Ų148.165%0.64979%0.793SS**  trans-63.9120.2168.500000108.9V30 E34V30-G32 PolarHBondContact O-N 3.39Å; G32-E34 PolarHBondContact O-N 3.33Å
33K39.7Very low42.9Very low204 Ų204153.1 Ų153.189%0.88780%0.796SS**  trans-63.999.4175-75.3179.2176.4-178.30109.3N31 I35N31-K33 PolarHBondContact O-N 3.42Å; K33-I35 PolarHBondContact O-N 3.4Å
34E46.8Very low44.1Very low139 Ų139152.3 Ų152.365%0.6579%0.793SS**  trans-64.4119.9157.6-80.4178.2156.600108.1G32 Y36G32-E34 PolarHBondContact O-N 3.33Å; E34-Y36 HydrophobicContact CB-CD2 4.06Å; E34-Y36 HydrophobicContact CB-CE2 3.58Å; E34-Y36 PolarHBondContact O-N 3.01Å; E34-Y36 WeakPolarHBondContact OE2-CE2 3.03Å; E34-Y36 VanDerWaalsContact OE2-CZ 3.29Å; E34-Y36 PolarHBondContact OE2-OH 3.49Å
35I44.7Very low45.4Very low160 Ų160144.5 Ų144.582%0.82177%0.774SS**  trans-74102.3170.6-60.5169.7000106.1K33 D37K33-I35 PolarHBondContact O-N 3.4Å; I35-D37 PolarHBondContact O-N 2.75Å
36Y42.2Very low47Very low191 Ų191140.7 Ų140.775%0.74976%0.758SS**  trans-84.5101.4166.8-73.6-88.1000107.9E34 A38E34-Y36 HydrophobicContact CB-CD2 4.06Å; E34-Y36 HydrophobicContact CB-CE2 3.58Å; E34-Y36 PolarHBondContact O-N 3.01Å; E34-Y36 WeakPolarHBondContact OE2-CE2 3.03Å; E34-Y36 VanDerWaalsContact OE2-CZ 3.29Å; E34-Y36 PolarHBondContact OE2-OH 3.49Å; Y36-A38 PolarHBondContact O-N 3.03Å
37D44.1Very low48.3Very low137 Ų137139.4 Ų139.473%0.73376%0.756SS**  trans-67.5122165.2-119.2-16.4000108.1I35 V39I35-D37 PolarHBondContact O-N 2.75Å; D37-V39 PolarHBondContact O-N 3.1Å
38A50.4Low50.1Low108 Ų108139.6 Ų139.689%0.89374%0.739SS**  trans-77.144.2-178.500000112.3Y36Y36-A38 PolarHBondContact O-N 3.03Å
39V49.1Very low52.1Low121 Ų121135.5 Ų135.573%0.73372%0.72SS**SBendtrans-108.2125.8174.4-177.40000107.4D37D37-V39 PolarHBondContact O-N 3.1Å
40G54.3Low53.9Low69 Ų69139.6 Ų139.671%0.71172%0.722SS**  trans-43.9139-169.700000114S42G40-S42 PolarHBondContact O-N 3.42Å
41R55.6Low55.4Low239 Ų239140.4 Ų140.490%0.90272%0.717SS**  trans-48.6114.5179.4-69.9-172.7-179.6-173.62.1110
42S64Low56.9Low75 Ų75141 Ų14152%0.52471%0.71SS.*  trans-52.4139.1172.3173.80000110G40 F44 V45G40-S42 PolarHBondContact O-N 3.42Å; S42-F44 PolarHBondContact O-N 2.97Å; S42-F44 PolarHBondContact OG-N 2.7Å; S42-V45 WeakPolarHBondContact O-CG2 3.42Å; S42-V45 PolarHBondContact O-N 3.04Å
43K62.8Low58.1Low207 Ų207141.4 Ų141.490%0.970%0.7SS**THydrogen-bonded Turntrans-64.4-7.5176.6-69.6179.9176.71790113.3
44F59.8Low59.7Low191 Ų191137 Ų13784%0.83869%0.69SS**THydrogen-bonded Turntrans-111.544.1178.9-58.3-77000112S42 L46S42-F44 PolarHBondContact O-N 2.97Å; S42-F44 PolarHBondContact OG-N 2.7Å; F44-L46 PolarHBondContact O-N 2.8Å
45V62.3Low60.8Low93 Ų93137.7 Ų137.756%0.56469%0.693SS**  trans-75111.6167.3172.90000107.5S42 E47S42-V45 WeakPolarHBondContact O-CG2 3.42Å; S42-V45 PolarHBondContact O-N 3.04Å; V45-E47 PolarHBondContact O-N 3.49Å; V45-E47 VanDerWaalsContact O-N 3.07Å
46L67.3Low62.3Low104 Ų104134.2 Ų134.255%0.54568%0.68SS.*  trans-58.2113.9174.2-158.881.9000107.9F44 N48 L49 Y52F44-L46 PolarHBondContact O-N 2.8Å; L46-N48 PolarHBondContact O-N 2.93Å; L46-L49 HydrophobicContact CB-CB 4.19Å; L46-L49 WeakPolarHBondContact O-CB 3.41Å; L46-L49 PolarHBondContact O-N 3.39Å; L46-Y52 HydrophobicContact CD2-CD2 3.89Å; L46-Y52 HydrophobicContact CD2-CE2 4.15Å
47E69.7Low63.9Low183 Ų183129.6 Ų129.686%0.85567%0.669SS**THydrogen-bonded Turntrans-55.7-30.4-174.9-167.1169.8-165.300112.1V45V45-E47 PolarHBondContact O-N 3.49Å; V45-E47 VanDerWaalsContact O-N 3.07Å
48N65.3Low65.5Low79 Ų79127.6 Ų127.642%0.42266%0.658SS.*THydrogen-bonded Turntrans-95.911.8177.6-69-40.9000114.6L46 R50 H51 Y52L46-N48 PolarHBondContact O-N 2.93Å; N48-R50 PolarHBondContact O-N 3.15Å; N48-R50 VanDerWaalsContact O-N 3.12Å; N48-H51 WeakPolarHBondContact O-CA 3.31Å; N48-H51 WeakPolarHBondContact O-CB 3.41Å; N48-H51 PolarHBondContact O-N 3.26Å; N48-H51 PolarHBondContact OD1-ND1 3.26Å; N48-Y52 HydrophobicContact CB-CD2 4.13Å; N48-Y52 HydrophobicContact CB-CE2 3.59Å; N48-Y52 WeakPolarHBondContact O-CD2 3.44Å; N48-Y52 PolarHBondContact O-N 3.3Å
49L70.1Confident66.7Low89 Ų89125.9 Ų125.947%0.46664%0.643SS.*Hα-helixtrans-51.7-40.6-178.9-173.265.9000111.5L46 H51 Y52 T53L46-L49 HydrophobicContact CB-CB 4.19Å; L46-L49 WeakPolarHBondContact O-CB 3.41Å; L46-L49 PolarHBondContact O-N 3.39Å; L49-H51 PolarHBondContact O-N 3.46Å; L49-Y52 CarbonylContact O-C 3.37Å; L49-Y52 PolarHBondContact O-N 2.75Å; L49-T53 HydrophobicContact CD1-CG2 4.06Å; L49-T53 HydrophobicContact CG-CG2 3.8Å; L49-T53 VanDerWaalsContact O-CG2 3.3Å; L49-T53 WeakPolarHBondContact O-CG2 3.44Å; L49-T53 PolarHBondContact O-N 3.47Å; L49-T53 PolarHBondContact O-OG1 2.87Å; L49-T53 VanDerWaalsContact O-OG1 3.06Å
50R69.1Low67.8Low212 Ų212127.2 Ų127.280%0.864%0.641SS**Hα-helixtrans-58.1-30.2177.9-63.2-175.3178.2-169.1-2.4113.6N48 T53N48-R50 PolarHBondContact O-N 3.15Å; N48-R50 VanDerWaalsContact O-N 3.12Å; R50-T53 WeakPolarHBondContact CA-OG1 3.16Å; R50-T53 PolarHBondContact O-OG1 2.86Å
51H68.6Low68.7Low139 Ų139132.8 Ų132.864%0.64464%0.642SS**Hα-helixtrans-80.4-22.7177.9-57.9106.6000112.5N48 L49N48-H51 WeakPolarHBondContact O-CA 3.31Å; N48-H51 WeakPolarHBondContact O-CB 3.41Å; N48-H51 PolarHBondContact O-N 3.26Å; N48-H51 PolarHBondContact OD1-ND1 3.26Å; L49-H51 PolarHBondContact O-N 3.46Å
52Y67.1Low69.7Low157 Ų157129.5 Ų129.562%0.61663%0.631SS**Hα-helixtrans-101.9-14.7-179.9-58.8-66.9000113.7L46 N48 L49 V54L46-Y52 HydrophobicContact CD2-CD2 3.89Å; L46-Y52 HydrophobicContact CD2-CE2 4.15Å; N48-Y52 HydrophobicContact CB-CD2 4.13Å; N48-Y52 HydrophobicContact CB-CE2 3.59Å; N48-Y52 WeakPolarHBondContact O-CD2 3.44Å; N48-Y52 PolarHBondContact O-N 3.3Å; L49-Y52 CarbonylContact O-C 3.37Å; L49-Y52 PolarHBondContact O-N 2.75Å; Y52-V54 VanDerWaalsContact C-N 3.32Å
53T66.6Low70.4Confident73 Ų73135 Ų13545%0.44865%0.646SS.*SBendtrans-78.5-15.117645.30000113.5L49 R50 H55L49-T53 HydrophobicContact CD1-CG2 4.06Å; L49-T53 HydrophobicContact CG-CG2 3.8Å; L49-T53 VanDerWaalsContact O-CG2 3.3Å; L49-T53 WeakPolarHBondContact O-CG2 3.44Å; L49-T53 PolarHBondContact O-N 3.47Å; L49-T53 PolarHBondContact O-OG1 2.87Å; L49-T53 VanDerWaalsContact O-OG1 3.06Å; R50-T53 WeakPolarHBondContact CA-OG1 3.16Å; R50-T53 PolarHBondContact O-OG1 2.86Å; T53-H55 PolarHBondContact O-N 3.13Å
54V72.9Confident70.8Confident112 Ų112130.8 Ų130.868%0.67964%0.639SS**  trans-77.383.6174.9-173.90000108.1Y52 P56Y52-V54 VanDerWaalsContact C-N 3.32Å; V54-P56 WeakPolarHBondContact O-CD 3.26Å
55H70.4Confident71.6Confident153 Ų153126.8 Ų126.871%0.70863%0.626SS**  trans-66.6122.8169.3-63.5-61.2000108.2T53 N57T53-H55 PolarHBondContact O-N 3.13Å; H55-N57 PolarHBondContact O-N 3.23Å
56P76.9Confident72.6Confident86 Ų86130.5 Ų130.556%0.55864%0.635SS**  trans-56.4137.2172.723.7-32000108V54 L58V54-P56 WeakPolarHBondContact O-CD 3.26Å; P56-L58 HydrophobicContact CB-CD2 4.26Å; P56-L58 HydrophobicContact CG-CD2 3.92Å; P56-L58 HydrophobicContact CG-CG 4.32Å; P56-L58 WeakPolarHBondContact O-CG 3.48Å; P56-L58 PolarHBondContact O-N 2.75Å
57N75.7Confident73.2Confident95 Ų95129.6 Ų129.651%0.50864%0.642SS.*  trans-7081.9176.4-173.3-7000109.1H55 A59 Q60H55-N57 PolarHBondContact O-N 3.23Å; N57-A59 PolarHBondContact O-N 3.33Å; N57-A59 VanDerWaalsContact O-N 3.12Å; N57-A59 VanDerWaalsContact OD1-CB 3.26Å; N57-A59 WeakPolarHBondContact OD1-CB 3.47Å; N57-A59 PolarHBondContact OD1-N 3.05Å; N57-Q60 HydrophobicContact CB-CG 4.42Å; N57-Q60 PolarHBondContact O-N 3.02Å; N57-Q60 VanDerWaalsContact O-N 3.17Å
58L77.4Confident73.8Confident95 Ų95125.2 Ų125.250%0.49763%0.628SS.*G310 helixtrans-62.5-20.7-176.5-64.1179.6000111.7P56 Q60 Y61 Y62P56-L58 HydrophobicContact CB-CD2 4.26Å; P56-L58 HydrophobicContact CG-CD2 3.92Å; P56-L58 HydrophobicContact CG-CG 4.32Å; P56-L58 WeakPolarHBondContact O-CG 3.48Å; P56-L58 PolarHBondContact O-N 2.75Å; L58-Q60 PolarHBondContact O-N 2.83Å; L58-Q60 VanDerWaalsContact O-N 3.13Å; L58-Y61 PolarHBondContact O-N 2.9Å; L58-Y62 HydrophobicContact CB-CD2 4.2Å; L58-Y62 HydrophobicContact CB-CE2 3.98Å; L58-Y62 WeakPolarHBondContact O-CD2 3.36Å; L58-Y62 PolarHBondContact O-N 3.27Å
59A75.8Confident74.7Confident71 Ų71123.3 Ų123.359%0.58762%0.623SS**G310 helixtrans-59.3-24.8177.300000112.7N57 Y61 Y62N57-A59 PolarHBondContact O-N 3.33Å; N57-A59 VanDerWaalsContact O-N 3.12Å; N57-A59 VanDerWaalsContact OD1-CB 3.26Å; N57-A59 WeakPolarHBondContact OD1-CB 3.47Å; N57-A59 PolarHBondContact OD1-N 3.05Å; A59-Y61 VanDerWaalsContact C-N 3.26Å; A59-Y61 PolarHBondContact O-N 3.49Å; A59-Y62 PolarHBondContact O-N 3.39Å
60Q72.5Confident75.6Confident149 Ų149123 Ų12370%0.69662%0.622SS**G310 helixtrans-68.3-25.1175.1-62.7-177.80.500113N57 L58N57-Q60 HydrophobicContact CB-CG 4.42Å; N57-Q60 PolarHBondContact O-N 3.02Å; N57-Q60 VanDerWaalsContact O-N 3.17Å; L58-Q60 PolarHBondContact O-N 2.83Å; L58-Q60 VanDerWaalsContact O-N 3.13Å
61Y73.8Confident76.5Confident187 Ų187119.5 Ų119.573%0.73361%0.614SS**THydrogen-bonded Turntrans-96-16179.6-60.1-77.8000112.8L58 A59 K63L58-Y61 PolarHBondContact O-N 2.9Å; A59-Y61 VanDerWaalsContact C-N 3.26Å; A59-Y61 PolarHBondContact O-N 3.49Å; Y61-K63 PolarHBondContact O-N 3.44Å
62Y76.4Confident77.5Confident170 Ų170120.5 Ų120.567%0.66762%0.617SS**  trans-90.7103177.2-76-73.1000110.8L58 A59 P64L58-Y62 HydrophobicContact CB-CD2 4.2Å; L58-Y62 HydrophobicContact CB-CE2 3.98Å; L58-Y62 WeakPolarHBondContact O-CD2 3.36Å; L58-Y62 PolarHBondContact O-N 3.27Å; A59-Y62 PolarHBondContact O-N 3.39Å; Y62-P64 WeakPolarHBondContact O-CD 3.49Å
63K76.9Confident78.6Confident191 Ų191118.8 Ų118.883%0.8361%0.613SS**PPolyproline II helixtrans-76.1120.9162.7-168.3170.7-174.5170.10108.5Y61 L65Y61-K63 PolarHBondContact O-N 3.44Å; K63-L65 PolarHBondContact O-N 3.08Å
64P73Confident79.9Confident117 Ų117119 Ų11976%0.7661%0.611SS**PPolyproline II helixtrans-55.3130.8176.5-22.831.9000109.8Y62 K66Y62-P64 WeakPolarHBondContact O-CD 3.49Å; P64-K66 PolarHBondContact O-N 3.44Å
65L74.9Confident80.9Confident108 Ų108115.9 Ų115.957%0.56560%0.597SS**PPolyproline II helixtrans-58.2138.3172.2-81.397.1000108.5K63 A67 A69 L70K63-L65 PolarHBondContact O-N 3.08Å; L65-A67 PolarHBondContact O-N 3.28Å; L65-A69 HydrophobicContact CB-CB 4.44Å; L65-A69 HydrophobicContact CD2-CB 4.05Å; L65-L70 HydrophobicContact CB-CB 4.17Å
66K84.1Confident82Confident171 Ų171114.8 Ų114.874%0.74359%0.592SS**PPolyproline II helixtrans-50.3138.4169.9-67-177.4178.4-178.90108.4P64 T68 A69 L70P64-K66 PolarHBondContact O-N 3.44Å; K66-T68 PolarHBondContact O-N 3.41Å; K66-A69 HydrophobicContact CB-CB 4.45Å; K66-A69 WeakPolarHBondContact O-CA 3.31Å; K66-A69 WeakPolarHBondContact O-CB 3.42Å; K66-A69 PolarHBondContact O-N 3.13Å; K66-L70 PolarHBondContact O-N 2.91Å
67A79.1Confident82.8Confident84 Ų84114.4 Ų114.469%0.69459%0.585SS**Hα-helixtrans-50.2-37.3-174.300000113L65 Q71L65-A67 PolarHBondContact O-N 3.28Å; A67-Q71 WeakPolarHBondContact O-CB 3.39Å; A67-Q71 PolarHBondContact O-N 3.45Å
68T83.7Confident83.7Confident91 Ų91119 Ų11956%0.55860%0.595SS**Hα-helixtrans-68.2-35.9175.137.60000114.4K66 K72K66-T68 PolarHBondContact O-N 3.41Å; T68-K72 VanDerWaalsContact O-CG 3.31Å; T68-K72 WeakPolarHBondContact O-CG 3.36Å; T68-K72 PolarHBondContact O-N 2.94Å; T68-K72 VanDerWaalsContact O-N 3.11Å
69A84.3Confident84.6Confident40 Ų40122 Ų12233%0.33161%0.605SS.*Hα-helixtrans-72.6-39.5175.900000111.3L65 K66 K72 F73L65-A69 HydrophobicContact CB-CB 4.44Å; L65-A69 HydrophobicContact CD2-CB 4.05Å; K66-A69 HydrophobicContact CB-CB 4.45Å; K66-A69 WeakPolarHBondContact O-CA 3.31Å; K66-A69 WeakPolarHBondContact O-CB 3.42Å; K66-A69 PolarHBondContact O-N 3.13Å; A69-K72 PolarHBondContact O-N 3.17Å; A69-F73 WeakPolarHBondContact O-CB 3.42Å; A69-F73 PolarHBondContact O-N 3.11Å
70L87.9Confident85.5Confident83 Ų83122.1 Ų122.144%0.43560%0.598SS.*Hα-helixtrans-62.9-43.8174.3-175.8145.9000111.2L65 K66 K72 F73 L74L65-L70 HydrophobicContact CB-CB 4.17Å; K66-L70 PolarHBondContact O-N 2.91Å; L70-K72 PolarHBondContact O-N 3.37Å; L70-F73 PolarHBondContact O-N 3.02Å; L70-L74 HydrophobicContact CD2-CD1 3.53Å; L70-L74 HydrophobicContact CD2-CG 4.13Å; L70-L74 HydrophobicContact CG-CD1 4.47Å; L70-L74 WeakPolarHBondContact O-CG 3.3Å; L70-L74 PolarHBondContact O-N 3Å
71Q88.4Confident86.5Confident138 Ų138118.4 Ų118.465%0.64559%0.586SS**Hα-helixtrans-63.2-41.6176.9-169.3-179.3900112.2A67 L74 A75A67-Q71 WeakPolarHBondContact O-CB 3.39Å; A67-Q71 PolarHBondContact O-N 3.45Å; Q71-L74 PolarHBondContact O-N 2.98Å; Q71-A75 VanDerWaalsContact O-CB 3.31Å; Q71-A75 WeakPolarHBondContact O-CB 3.11Å; Q71-A75 PolarHBondContact O-N 3.37Å
72K89.7Confident87.4Confident159 Ų159112.5 Ų112.569%0.69157%0.572SS**Hα-helixtrans-61.7-44.8173.9-75.9178.3-178.6-174.50111.8T68 A69 L70 A75 Q76T68-K72 VanDerWaalsContact O-CG 3.31Å; T68-K72 WeakPolarHBondContact O-CG 3.36Å; T68-K72 PolarHBondContact O-N 2.94Å; T68-K72 VanDerWaalsContact O-N 3.11Å; A69-K72 PolarHBondContact O-N 3.17Å; L70-K72 PolarHBondContact O-N 3.37Å; K72-A75 PolarHBondContact O-N 2.99Å; K72-Q76 WeakPolarHBondContact O-CB 3.41Å; K72-Q76 PolarHBondContact O-N 3.26Å
73F91Very high88.3Confident122 Ų122111 Ų11154%0.53557%0.569SS.*Hα-helixtrans-61.2-47.8177.3177.1-98.8000111.7A69 L70 A75 Q76 N77A69-F73 WeakPolarHBondContact O-CB 3.42Å; A69-F73 PolarHBondContact O-N 3.11Å; L70-F73 PolarHBondContact O-N 3.02Å; F73-A75 VanDerWaalsContact C-N 3.34Å; F73-A75 PolarHBondContact O-N 2.79Å; F73-Q76 PolarHBondContact O-N 3.42Å; F73-N77 WeakPolarHBondContact O-CB 3.34Å; F73-N77 PolarHBondContact O-N 2.88Å
74L93.2Very high89.1Confident77 Ų77107.5 Ų107.540%0.40356%0.557SS.*Hα-helixtrans-62.7-40.8177.2-70.3-179.4000112.2L70 Q71 N77 R78L70-L74 HydrophobicContact CD2-CD1 3.53Å; L70-L74 HydrophobicContact CD2-CG 4.13Å; L70-L74 HydrophobicContact CG-CD1 4.47Å; L70-L74 WeakPolarHBondContact O-CG 3.3Å; L70-L74 PolarHBondContact O-N 3Å; Q71-L74 PolarHBondContact O-N 2.98Å; L74-N77 PolarHBondContact O-N 3.04Å; L74-R78 WeakPolarHBondContact O-CB 3.37Å; L74-R78 VanDerWaalsContact O-CG 3.31Å; L74-R78 WeakPolarHBondContact O-CG 3.41Å; L74-R78 PolarHBondContact O-N 3.33Å
75A92.8Very high90Very high47 Ų47106.4 Ų106.439%0.38854%0.544SS..Hα-helixtrans-64.2-40.9176.500000111.8Q71 K72 F73 K79Q71-A75 VanDerWaalsContact O-CB 3.31Å; Q71-A75 WeakPolarHBondContact O-CB 3.11Å; Q71-A75 PolarHBondContact O-N 3.37Å; K72-A75 PolarHBondContact O-N 2.99Å; F73-A75 VanDerWaalsContact C-N 3.34Å; F73-A75 PolarHBondContact O-N 2.79Å; A75-K79 WeakPolarHBondContact O-CG 3.49Å; A75-K79 PolarHBondContact O-N 3.32Å
76Q93.7Very high90.7Very high129 Ų129107.7 Ų107.760%0.60355%0.545SS*.Hα-helixtrans-65.8-45.1174.7-176.2169.84.800111.4K72 F73 R78 K79 T80K72-Q76 WeakPolarHBondContact O-CB 3.41Å; K72-Q76 PolarHBondContact O-N 3.26Å; F73-Q76 PolarHBondContact O-N 3.42Å; Q76-R78 VanDerWaalsContact C-N 3.35Å; Q76-R78 PolarHBondContact O-N 2.72Å; Q76-K79 WeakPolarHBondContact O-CB 3.41Å; Q76-K79 PolarHBondContact O-N 3.29Å; Q76-K79 VanDerWaalsContact O-N 3.11Å; Q76-T80 PolarHBondContact O-N 3.26Å; Q76-T80 PolarHBondContact O-OG1 3.47Å
77N94.8Very high90.8Very high78 Ų78102 Ų10242%0.41753%0.525SS..Hα-helixtrans-59.7-46.7178.8-164.422.8000110.9F73 L74 K79 T80 T81F73-N77 WeakPolarHBondContact O-CB 3.34Å; F73-N77 PolarHBondContact O-N 2.88Å; L74-N77 PolarHBondContact O-N 3.04Å; N77-K79 VanDerWaalsContact C-N 3.28Å; N77-K79 PolarHBondContact O-N 3.46Å; N77-T80 PolarHBondContact O-N 2.9Å; N77-T80 VanDerWaalsContact O-N 3.1Å; N77-T81 PolarHBondContact O-N 2.88Å; N77-T81 PolarHBondContact O-OG1 3.12Å
78R95.1Very high90.9Very high192 Ų192101.5 Ų101.573%0.72551%0.513SS*.Hα-helixtrans-55.6-40.4174.6-74.3176.4-178.1-174.40.7112.9L74 Q76 S82L74-R78 WeakPolarHBondContact O-CB 3.37Å; L74-R78 VanDerWaalsContact O-CG 3.31Å; L74-R78 WeakPolarHBondContact O-CG 3.41Å; L74-R78 PolarHBondContact O-N 3.33Å; Q76-R78 VanDerWaalsContact C-N 3.35Å; Q76-R78 PolarHBondContact O-N 2.72Å; R78-S82 WeakPolarHBondContact O-CB 3.41Å; R78-S82 PolarHBondContact O-N 3.48Å
79K94.8Very high91Very high159 Ų159102.1 Ų102.169%0.69151%0.509SS*.Hα-helixtrans-64.9-46.4175.8-71.6174.8-179.6-1750111.5A75 Q76 N77 S82 F83A75-K79 WeakPolarHBondContact O-CG 3.49Å; A75-K79 PolarHBondContact O-N 3.32Å; Q76-K79 WeakPolarHBondContact O-CB 3.41Å; Q76-K79 PolarHBondContact O-N 3.29Å; Q76-K79 VanDerWaalsContact O-N 3.11Å; N77-K79 VanDerWaalsContact C-N 3.28Å; N77-K79 PolarHBondContact O-N 3.46Å; K79-S82 PolarHBondContact O-N 2.82Å; K79-F83 WeakPolarHBondContact O-CB 3.34Å; K79-F83 PolarHBondContact O-N 3.39Å
80T94.7Very high90.9Very high72 Ų72107 Ų10744%0.44252%0.52SS..Hα-helixtrans-62.4-46.4178.3-54.50000111.4Q76 N77 S82 F83 M84Q76-T80 PolarHBondContact O-N 3.26Å; Q76-T80 PolarHBondContact O-OG1 3.47Å; N77-T80 PolarHBondContact O-N 2.9Å; N77-T80 VanDerWaalsContact O-N 3.1Å; T80-S82 PolarHBondContact O-N 3.44Å; T80-F83 PolarHBondContact O-N 3.36Å; T80-M84 WeakPolarHBondContact O-CG 3.31Å; T80-M84 PolarHBondContact O-N 2.93Å
81T94.3Very high90.4Very high72 Ų72106.2 Ų106.244%0.44252%0.517SS..Hα-helixtrans-63.2-44178-43.40000111.3N77 F83 M84 L85N77-T81 PolarHBondContact O-N 2.88Å; N77-T81 PolarHBondContact O-OG1 3.12Å; T81-F83 VanDerWaalsContact C-N 3.3Å; T81-F83 PolarHBondContact O-N 2.93Å; T81-M84 PolarHBondContact O-N 2.9Å; T81-L85 WeakPolarHBondContact O-CB 3.19Å; T81-L85 PolarHBondContact O-N 3.28Å
82S93.5Very high89.8Confident63 Ų63105.6 Ų105.644%0.44151%0.514SS..Hα-helixtrans-59-41.6174.7163.10000112.2R78 K79 T80 K86R78-S82 WeakPolarHBondContact O-CB 3.41Å; R78-S82 PolarHBondContact O-N 3.48Å; K79-S82 PolarHBondContact O-N 2.82Å; T80-S82 PolarHBondContact O-N 3.44Å; S82-K86 WeakPolarHBondContact O-CG 3.09Å; S82-K86 PolarHBondContact O-N 3.35Å
83F94.5Very high89Confident137 Ų137103.1 Ų103.160%0.60151%0.508SS*.Hα-helixtrans-65.9-49.4177.6175.6-99.1000111.2K79 T80 T81 L85 K86 V87K79-F83 WeakPolarHBondContact O-CB 3.34Å; K79-F83 PolarHBondContact O-N 3.39Å; T80-F83 PolarHBondContact O-N 3.36Å; T81-F83 VanDerWaalsContact C-N 3.3Å; T81-F83 PolarHBondContact O-N 2.93Å; F83-L85 VanDerWaalsContact C-N 3.28Å; F83-L85 PolarHBondContact O-N 3.03Å; F83-K86 PolarHBondContact O-N 3.38Å; F83-V87 HydrophobicContact CD1-CG2 4.17Å; F83-V87 HydrophobicContact CE1-CG2 3.7Å; F83-V87 HydrophobicContact CE2-CG2 4.13Å; F83-V87 HydrophobicContact CZ-CG2 3.68Å; F83-V87 WeakPolarHBondContact O-CG2 3.21Å; F83-V87 PolarHBondContact O-N 3.41Å
84M92.8Very high88.3Confident118 Ų118101.7 Ų101.758%0.58150%0.502SS*.Hα-helixtrans-57.7-42.1177.4-69.5-137.8-5100111.9T80 T81 K86 V87 T88T80-M84 WeakPolarHBondContact O-CG 3.31Å; T80-M84 PolarHBondContact O-N 2.93Å; T81-M84 PolarHBondContact O-N 2.9Å; M84-K86 VanDerWaalsContact C-N 3.32Å; M84-K86 PolarHBondContact O-N 2.87Å; M84-V87 PolarHBondContact O-N 3.19Å; M84-V87 VanDerWaalsContact O-N 3.14Å; M84-T88 WeakPolarHBondContact O-CG2 3.33Å; M84-T88 PolarHBondContact O-N 3.29Å; M84-T88 PolarHBondContact O-OG1 3.32Å
85L91.9Very high87.5Confident94 Ų94101.9 Ų101.949%0.49251%0.506SS..Hα-helixtrans-62-40.5-179.6-163.4137.5000111.9T81 F83 T88 E89T81-L85 WeakPolarHBondContact O-CB 3.19Å; T81-L85 PolarHBondContact O-N 3.28Å; F83-L85 VanDerWaalsContact C-N 3.28Å; F83-L85 PolarHBondContact O-N 3.03Å; L85-T88 WeakPolarHBondContact CA-OG1 3.38Å; L85-T88 PolarHBondContact O-N 3.02Å; L85-T88 PolarHBondContact O-OG1 3.14Å; L85-E89 WeakPolarHBondContact CD2-OE1 3.49Å; L85-E89 WeakPolarHBondContact O-CG 3.42Å; L85-E89 PolarHBondContact O-N 3.06Å
86K90Very high86.8Confident136 Ų136104.9 Ų104.959%0.59152%0.515SS*.Hα-helixtrans-66.8-38.4173.4-72.1-178.7177.3-174.50113.1S82 F83 M84 T88 E89 Y90S82-K86 WeakPolarHBondContact O-CG 3.09Å; S82-K86 PolarHBondContact O-N 3.35Å; F83-K86 PolarHBondContact O-N 3.38Å; M84-K86 VanDerWaalsContact C-N 3.32Å; M84-K86 PolarHBondContact O-N 2.87Å; K86-T88 VanDerWaalsContact C-N 3.33Å; K86-E89 PolarHBondContact O-N 2.97Å; K86-Y90 PolarHBondContact O-N 3.21Å
87V85.9Confident85.9Confident52 Ų52103.8 Ų103.832%0.31551%0.513SS..Hα-helixtrans-63.3-43.4175.1172.50000109.9F83 M84 E89 Y90 D91F83-V87 HydrophobicContact CD1-CG2 4.17Å; F83-V87 HydrophobicContact CE1-CG2 3.7Å; F83-V87 HydrophobicContact CE2-CG2 4.13Å; F83-V87 HydrophobicContact CZ-CG2 3.68Å; F83-V87 WeakPolarHBondContact O-CG2 3.21Å; F83-V87 PolarHBondContact O-N 3.41Å; M84-V87 PolarHBondContact O-N 3.19Å; M84-V87 VanDerWaalsContact O-N 3.14Å; V87-E89 PolarHBondContact O-N 2.87Å; V87-Y90 PolarHBondContact O-N 2.82Å; V87-D91 WeakPolarHBondContact O-CB 3.45Å; V87-D91 PolarHBondContact O-N 2.83Å
88T82.8Confident85Confident73 Ų73105 Ų10545%0.44852%0.518SS..Hα-helixtrans-65.7-37.5177.452.70000112.9M84 L85 K86 D91 Q92M84-T88 WeakPolarHBondContact O-CG2 3.33Å; M84-T88 PolarHBondContact O-N 3.29Å; M84-T88 PolarHBondContact O-OG1 3.32Å; L85-T88 WeakPolarHBondContact CA-OG1 3.38Å; L85-T88 PolarHBondContact O-N 3.02Å; L85-T88 PolarHBondContact O-OG1 3.14Å; K86-T88 VanDerWaalsContact C-N 3.33Å; T88-D91 PolarHBondContact O-N 3.16Å; T88-Q92 WeakPolarHBondContact O-CB 3.39Å; T88-Q92 VanDerWaalsContact O-CG 3.23Å; T88-Q92 WeakPolarHBondContact O-CG 3.45Å; T88-Q92 PolarHBondContact O-N 3.12Å
89E85.8Confident84Confident103 Ų103100.3 Ų100.348%0.48151%0.506SS..Hα-helixtrans-63.1-42.2173.2-75.4172.6176.300111.6L85 K86 V87 Q92 D93L85-E89 WeakPolarHBondContact CD2-OE1 3.49Å; L85-E89 WeakPolarHBondContact O-CG 3.42Å; L85-E89 PolarHBondContact O-N 3.06Å; K86-E89 PolarHBondContact O-N 2.97Å; V87-E89 PolarHBondContact O-N 2.87Å; E89-Q92 WeakPolarHBondContact O-CB 3.2Å; E89-Q92 PolarHBondContact O-N 2.84Å; E89-D93 PolarHBondContact O-N 3.05Å
90Y81Confident82.9Confident142 Ų14297.4 Ų97.456%0.55750%0.501SS*.Hα-helixtrans-68.2-38.2176.8178.9-110.1000112.9K86 V87 Q92 D93 K94K86-Y90 PolarHBondContact O-N 3.21Å; V87-Y90 PolarHBondContact O-N 2.82Å; Y90-Q92 VanDerWaalsContact C-N 3.32Å; Y90-D93 PolarHBondContact O-N 2.75Å; Y90-K94 HydrophobicContact CE1-CD 4.25Å; Y90-K94 VanDerWaalsContact CZ-CE 3.46Å; Y90-K94 PolarHBondContact O-N 3.42Å; Y90-K94 WeakPolarHBondContact OH-CE 3.41Å
91D77.6Confident82Confident68 Ų6899.1 Ų99.136%0.36451%0.508SS..Hα-helixtrans-74.7-22.9176.7-74.2-19.5000112.3V87 T88 K94 T95V87-D91 WeakPolarHBondContact O-CB 3.45Å; V87-D91 PolarHBondContact O-N 2.83Å; T88-D91 PolarHBondContact O-N 3.16Å; D91-K94 PolarHBondContact O-N 3.23Å; D91-K94 IonicContact OD1-NZ 3.89Å; D91-T95 WeakPolarHBondContact O-CB 3.42Å; D91-T95 PolarHBondContact O-N 3.5Å; D91-T95 PolarHBondContact O-OG1 2.89Å
92Q75.7Confident81.1Confident124 Ų124101.2 Ų101.258%0.57952%0.517SS*.Hα-helixtrans-60.9-44.4168.5-81.71701.700111.1T88 E89 Y90 K94 T95 L96T88-Q92 WeakPolarHBondContact O-CB 3.39Å; T88-Q92 VanDerWaalsContact O-CG 3.23Å; T88-Q92 WeakPolarHBondContact O-CG 3.45Å; T88-Q92 PolarHBondContact O-N 3.12Å; E89-Q92 WeakPolarHBondContact O-CB 3.2Å; E89-Q92 PolarHBondContact O-N 2.84Å; Y90-Q92 VanDerWaalsContact C-N 3.32Å; Q92-K94 VanDerWaalsContact C-N 3.29Å; Q92-K94 PolarHBondContact O-N 2.96Å; Q92-T95 PolarHBondContact O-N 3.26Å; Q92-L96 VanDerWaalsContact O-CB 3.25Å; Q92-L96 WeakPolarHBondContact O-CB 3.49Å; Q92-L96 PolarHBondContact O-N 3.2Å
93D73.3Confident80Confident108 Ų108101.1 Ų101.158%0.57851%0.514SS*.Hα-helixtrans-61.8-39.2177-76.5-14.3000111.8E89 Y90 L97E89-D93 PolarHBondContact O-N 3.05Å; Y90-D93 PolarHBondContact O-N 2.75Å; D93-L97 WeakPolarHBondContact O-CB 3.41Å; D93-L97 PolarHBondContact O-N 3.1Å
94K76Confident78.6Confident92 Ų9298.2 Ų98.240%0.451%0.509SS..Hα-helixtrans-68.7-42.3175.5-68.9-180177.4172.10112.4Y90 D91 Q92 L96 L97 I98Y90-K94 HydrophobicContact CE1-CD 4.25Å; Y90-K94 VanDerWaalsContact CZ-CE 3.46Å; Y90-K94 PolarHBondContact O-N 3.42Å; Y90-K94 WeakPolarHBondContact OH-CE 3.41Å; D91-K94 PolarHBondContact O-N 3.23Å; D91-K94 IonicContact OD1-NZ 3.89Å; Q92-K94 VanDerWaalsContact C-N 3.29Å; Q92-K94 PolarHBondContact O-N 2.96Å; K94-L96 VanDerWaalsContact C-N 3.32Å; K94-L97 WeakPolarHBondContact O-CB 3.33Å; K94-L97 PolarHBondContact O-N 2.92Å; K94-I98 VanDerWaalsContact O-CG1 3.27Å; K94-I98 WeakPolarHBondContact O-CG1 3.3Å; K94-I98 PolarHBondContact O-N 3.41Å
95T76Confident77.2Confident81 Ų8195 Ų9550%0.49750%0.497SS..Hα-helixtrans-64.1-42.4177-55.70000109.9D91 Q92 I98 M99D91-T95 WeakPolarHBondContact O-CB 3.42Å; D91-T95 PolarHBondContact O-N 3.5Å; D91-T95 PolarHBondContact O-OG1 2.89Å; Q92-T95 PolarHBondContact O-N 3.26Å; T95-I98 PolarHBondContact O-N 2.88Å; T95-M99 HydrophobicContact CG2-CG 4.27Å; T95-M99 VanDerWaalsContact O-CB 3.32Å; T95-M99 WeakPolarHBondContact O-CB 3.44Å; T95-M99 WeakPolarHBondContact O-CG 3.38Å; T95-M99 PolarHBondContact O-N 3.11Å
96L77.9Confident75.6Confident109 Ų10994.3 Ų94.357%0.57150%0.499SS*.Hα-helixtrans-61.5-43.9174.3-177.161.7000111.4Q92 K94 I98 M99 T100Q92-L96 VanDerWaalsContact O-CB 3.25Å; Q92-L96 WeakPolarHBondContact O-CB 3.49Å; Q92-L96 PolarHBondContact O-N 3.2Å; K94-L96 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.22Å; L96-M99 PolarHBondContact O-N 3.25Å; L96-T100 WeakPolarHBondContact O-CB 3.34Å; L96-T100 PolarHBondContact O-N 2.93Å; L96-T100 PolarHBondContact O-OG1 3.4Å
97L74.8Confident73.8Confident107 Ų10793.1 Ų93.156%0.5651%0.508SS*.Hα-helixtrans-60.7-43.7174.7-176.766.4000112D93 K94 T100 N101D93-L97 WeakPolarHBondContact O-CB 3.41Å; D93-L97 PolarHBondContact O-N 3.1Å; K94-L97 WeakPolarHBondContact O-CB 3.33Å; K94-L97 PolarHBondContact O-N 2.92Å; L97-T100 PolarHBondContact O-N 3.42Å; L97-N101 VanDerWaalsContact CD1-ND2 3.35Å; L97-N101 WeakPolarHBondContact CD1-ND2 3.37Å; L97-N101 WeakPolarHBondContact O-CB 3.35Å; L97-N101 PolarHBondContact O-N 2.95Å; L97-N101 VanDerWaalsContact O-N 3.08Å; L97-N101 PolarHBondContact O-ND2 2.6Å
98I76.4Confident72.3Confident104 Ų10494.8 Ų94.853%0.53351%0.514SS..Hα-helixtrans-64.6-45.1177.4-69.1164.7000110.5K94 T95 L96 T100 N101 N102K94-I98 VanDerWaalsContact O-CG1 3.27Å; K94-I98 WeakPolarHBondContact O-CG1 3.3Å; K94-I98 PolarHBondContact O-N 3.41Å; T95-I98 PolarHBondContact O-N 2.88Å; L96-I98 PolarHBondContact O-N 3.22Å; I98-T100 VanDerWaalsContact C-N 3.34Å; I98-T100 PolarHBondContact O-N 3.31Å; I98-N101 PolarHBondContact O-N 2.95Å; I98-N102 WeakPolarHBondContact O-CA 3.43Å; I98-N102 WeakPolarHBondContact O-CB 3.23Å; I98-N102 PolarHBondContact O-N 3.07Å
99M75.4Confident70.9Confident92 Ų9296.3 Ų96.345%0.45352%0.524SS..Hα-helixtrans-67.9-31.1-180-70.5-70.6-6600112.8T95 L96 N102 P103 P104T95-M99 HydrophobicContact CG2-CG 4.27Å; T95-M99 VanDerWaalsContact O-CB 3.32Å; T95-M99 WeakPolarHBondContact O-CB 3.44Å; T95-M99 WeakPolarHBondContact O-CG 3.38Å; T95-M99 PolarHBondContact O-N 3.11Å; L96-M99 PolarHBondContact O-N 3.25Å; M99-N102 CarbonylContact O-C 3.57Å; M99-P103 WeakPolarHBondContact O-CA 3.48Å; M99-P103 VanDerWaalsContact O-N 3.12Å; M99-P104 VanDerWaalsContact CE-CD 3.49Å; M99-P104 HydrophobicContact CE-CG 3.67Å
100T71.4Confident69.3Low98 Ų98100 Ų10060%0.60154%0.54SS*.Hα-helixtrans-77.5-36.7177.9-47.30000111.4L96 L97 I98L96-T100 WeakPolarHBondContact O-CB 3.34Å; L96-T100 PolarHBondContact O-N 2.93Å; L96-T100 PolarHBondContact O-OG1 3.4Å; L97-T100 PolarHBondContact O-N 3.42Å; I98-T100 VanDerWaalsContact C-N 3.34Å; I98-T100 PolarHBondContact O-N 3.31Å
101N75.1Confident68Low109 Ų109101.9 Ų101.958%0.58355%0.554SS**Hα-helixtrans-80.7-26.6177.1-70.5-49.3000113L97 I98L97-N101 VanDerWaalsContact CD1-ND2 3.35Å; L97-N101 WeakPolarHBondContact CD1-ND2 3.37Å; L97-N101 WeakPolarHBondContact O-CB 3.35Å; L97-N101 PolarHBondContact O-N 2.95Å; L97-N101 VanDerWaalsContact O-N 3.08Å; L97-N101 PolarHBondContact O-ND2 2.6Å; I98-N101 PolarHBondContact O-N 2.95Å
102N76.4Confident66.7Low116 Ų116102 Ų10262%0.6256%0.555SS**SBendtrans-132.271178-56.9-73.7000109.1I98 M99I98-N102 WeakPolarHBondContact O-CA 3.43Å; I98-N102 WeakPolarHBondContact O-CB 3.23Å; I98-N102 PolarHBondContact O-N 3.07Å; M99-N102 CarbonylContact O-C 3.57Å
103P68.9Low65.6Low60 Ų60105 Ų10539%0.3957%0.566SS.*PPolyproline II helixtrans-59.212917724.8-32.7000108.5M99M99-P103 WeakPolarHBondContact O-CA 3.48Å; M99-P103 VanDerWaalsContact O-N 3.12Å
104P65.4Low64.6Low77 Ų77109.1 Ų109.150%0.558%0.582SS.*PPolyproline II helixtrans-59.7145.6172.827.4-34.3000108.2M99 C106M99-P104 VanDerWaalsContact CE-CD 3.49Å; M99-P104 HydrophobicContact CE-CG 3.67Å; P104-C106 PolarHBondContact O-N 3.28Å
105P63.6Low63.6Low49 Ų49106.5 Ų106.532%0.31858%0.575SS.*PPolyproline II helixtrans-56.6137.5174.923.6-31.9000109.5S107 P117 Y119P105-S107 PolarHBondContact O-N 3.27Å; P105-P117 HydrophobicContact CB-CB 3.35Å; P105-P117 HydrophobicContact CG-CB 3.72Å; P105-Y119 HydrophobicContact CB-CD1 4.41Å; P105-Y119 HydrophobicContact CB-CE1 4.35Å
106C57.4Low62.7Low80 Ų80106.2 Ų106.254%0.54158%0.581SS.*PPolyproline II helixtrans-52.5129.9-178.4-66.30000109.4P104 I108 K118P104-C106 PolarHBondContact O-N 3.28Å; C106-I108 PolarHBondContact O-N 2.79Å; C106-K118 PolarHBondContact N-O 3.27Å
107S53.7Low61.6Low111 Ų111104.2 Ų104.278%0.77658%0.575SS**PPolyproline II helixtrans-57.9118.7177.753.50000108.6P105 T109P105-S107 PolarHBondContact O-N 3.27Å; S107-T109 PolarHBondContact O-N 3.5Å
108I54Low60.9Low88 Ų88103.6 Ų103.645%0.45157%0.567SS.*  trans-45.8106.4173.3-68.8156.9000108C106 H110 D112C106-I108 PolarHBondContact O-N 2.79Å; I108-H110 PolarHBondContact O-N 2.94Å; I108-D112 WeakPolarHBondContact CG2-O 3.41Å
109T53.4Low59.9Low105 Ų105105.3 Ų105.364%0.64457%0.568SS**  trans-53.7128.9162.832.10000106.9S107 Q111 D112S107-T109 PolarHBondContact O-N 3.5Å; T109-Q111 PolarHBondContact O-N 3.22Å; T109-D112 PolarHBondContact O-N 2.79Å
110H52.5Low59.1Low179 Ų179107.1 Ų107.183%0.82957%0.574SS**THydrogen-bonded Turntrans-542.2-172.3-78.2-79.6000116.7I108I108-H110 PolarHBondContact O-N 2.94Å
111Q52.2Low58.7Low183 Ų183104.8 Ų104.886%0.85556%0.562SS**THydrogen-bonded Turntrans-81.5-29.9169.7-95.1-175.1-10.300114.4T109 K113T109-Q111 PolarHBondContact O-N 3.22Å; Q111-K113 PolarHBondContact O-N 2.8Å
112D51.6Low58.2Low70 Ų70106 Ų10637%0.37456%0.562SS.*  trans-101.870.7-174.8-86.9-9.1000110.8I108 T109 E114I108-D112 WeakPolarHBondContact CG2-O 3.41Å; T109-D112 PolarHBondContact O-N 2.79Å; D112-E114 PolarHBondContact O-N 2.77Å; D112-E114 VanDerWaalsContact O-N 3.11Å
113K52.5Low57.7Low187 Ų187107.9 Ų107.981%0.81357%0.566SS**THydrogen-bonded Turntrans-67.6-4.7-179-74.2-177178.3179.50115.2Q111Q111-K113 PolarHBondContact O-N 2.8Å
114E51.4Low57.3Low195 Ų195109.8 Ų109.891%0.91157%0.573SS**THydrogen-bonded Turntrans-128.63.7-178.7-71.1-177.8171.700114.4D112D112-E114 PolarHBondContact O-N 2.77Å; D112-E114 VanDerWaalsContact O-N 3.11Å
115S55.6Low57.2Low37 Ų37110.5 Ų110.526%0.25957%0.572SS.*  trans-89.5126-179.4-147.60000111K118S115-K118 VanDerWaalsContact OG-CE 3.29Å; S115-K118 WeakPolarHBondContact OG-CE 3.4Å; S115-K118 PolarHBondContact OG-NZ 3.33Å; S115-K118 VanDerWaalsContact OG-NZ 3.15Å
116A56.7Low57.2Low75 Ų75113 Ų11362%0.6258%0.582SS**  trans-51.9145.1171.900000110.8K118A116-K118 PolarHBondContact O-N 2.95Å
117P55Low57.4Low67 Ų67116.4 Ų116.444%0.43559%0.588SS.*  trans-51.8114.8178.512.8-24.6000110.9P105P105-P117 HydrophobicContact CB-CB 3.35Å; P105-P117 HydrophobicContact CG-CB 3.72Å
118K60.8Low57.7Low93 Ų93113.2 Ų113.240%0.40457%0.568SS.*  trans-88.9120.7-180-73173-174.9162.60109.2C106 S115 A116 F120C106-K118 PolarHBondContact N-O 3.27Å; S115-K118 VanDerWaalsContact OG-CE 3.29Å; S115-K118 WeakPolarHBondContact OG-CE 3.4Å; S115-K118 PolarHBondContact OG-NZ 3.33Å; S115-K118 VanDerWaalsContact OG-NZ 3.15Å; A116-K118 PolarHBondContact O-N 2.95Å; K118-F120 PolarHBondContact O-N 3.1Å
119Y55.7Low58Low141 Ų141114.1 Ų114.155%0.55357%0.572SS**SBendtrans-72.2-15.9176.6-71.3-85.6000113.3P105P105-Y119 HydrophobicContact CB-CD1 4.41Å; P105-Y119 HydrophobicContact CB-CE1 4.35Å
120F58.8Low58Low129 Ų129116 Ų11657%0.56657%0.573SS**SBendtrans-134.3144.6-176.1-60.8-75.7000111.4K118 L125K118-F120 PolarHBondContact O-N 3.1Å; F120-L125 HydrophobicContact CB-CD2 4.5Å; F120-L125 HydrophobicContact CB-CG 4.27Å
121S61.3Low58.3Low50 Ų50111.3 Ų111.335%0.3556%0.561SS.*  trans-65.8149.5174.263.70000110.7E123 L124 L125S121-E123 PolarHBondContact O-N 2.98Å; S121-E123 VanDerWaalsContact O-N 3.16Å; S121-L124 PolarHBondContact O-N 2.74Å; S121-L124 VanDerWaalsContact O-N 3.12Å; S121-L124 PolarHBondContact OG-N 2.99Å; S121-L125 PolarHBondContact O-N 3.2Å
122K65.6Low58.2Low134 Ų134109.3 Ų109.358%0.58355%0.551SS**Hα-helixtrans-55.7-32.7176.4-65178.8-1761740111.2L125 L126K122-L125 PolarHBondContact O-N 3.33Å; K122-L126 WeakPolarHBondContact O-CB 3.5Å; K122-L126 WeakPolarHBondContact O-CD1 3.27Å; K122-L126 VanDerWaalsContact O-CG 3.23Å; K122-L126 WeakPolarHBondContact O-CG 3.33Å; K122-L126 PolarHBondContact O-N 2.84Å
123E64.8Low58.1Low155 Ų155111.9 Ų111.972%0.72456%0.561SS**Hα-helixtrans-67-40.7177.4-66.2173.8-17500113.7S121 L126 K127S121-E123 PolarHBondContact O-N 2.98Å; S121-E123 VanDerWaalsContact O-N 3.16Å; E123-L126 PolarHBondContact O-N 2.93Å; E123-K127 WeakPolarHBondContact O-CB 3.32Å; E123-K127 PolarHBondContact O-N 3.41Å
124L61.8Low57.8Low101 Ų101111.6 Ų111.653%0.52956%0.562SS.*Hα-helixtrans-68.6-37.4175.9-79.8171.3000111.7S121 K127 A128S121-L124 PolarHBondContact O-N 2.74Å; S121-L124 VanDerWaalsContact O-N 3.12Å; S121-L124 PolarHBondContact OG-N 2.99Å; L124-K127 PolarHBondContact O-N 3.14Å; L124-A128 WeakPolarHBondContact O-CB 3.35Å; L124-A128 PolarHBondContact O-N 3.35Å
125L63.2Low57.4Low92 Ų92110.1 Ų110.148%0.48256%0.555SS.*Hα-helixtrans-66-41.4174.4-70.2170.6000111.7F120 S121 K122 A128 M129F120-L125 HydrophobicContact CB-CD2 4.5Å; F120-L125 HydrophobicContact CB-CG 4.27Å; S121-L125 PolarHBondContact O-N 3.2Å; K122-L125 PolarHBondContact O-N 3.33Å; L125-A128 PolarHBondContact O-N 3.25Å; L125-M129 WeakPolarHBondContact O-CB 3.25Å; L125-M129 PolarHBondContact O-N 2.94Å
126L63.5Low56.8Low102 Ų102117.7 Ų117.753%0.53458%0.583SS.*Hα-helixtrans-64.1-42.6175.4-76.2165.7000111.6K122 E123 A128 M129 E130K122-L126 WeakPolarHBondContact O-CB 3.5Å; K122-L126 WeakPolarHBondContact O-CD1 3.27Å; K122-L126 VanDerWaalsContact O-CG 3.23Å; K122-L126 WeakPolarHBondContact O-CG 3.33Å; K122-L126 PolarHBondContact O-N 2.84Å; E123-L126 PolarHBondContact O-N 2.93Å; L126-A128 VanDerWaalsContact C-N 3.35Å; L126-A128 PolarHBondContact O-N 2.95Å; L126-M129 PolarHBondContact O-N 3.45Å; L126-E130 WeakPolarHBondContact O-CB 3.12Å; L126-E130 PolarHBondContact O-N 3.11Å
127K61.7Low56.3Low151 Ų151120 Ų12066%0.65759%0.592SS**Hα-helixtrans-66.3-36.3176.5-163.8170.9-174.8174.90112.5E123 L124 S131E123-K127 WeakPolarHBondContact O-CB 3.32Å; E123-K127 PolarHBondContact O-N 3.41Å; L124-K127 PolarHBondContact O-N 3.14Å; K127-S131 PolarHBondContact O-N 3.17Å
128A59.6Low55.7Low44 Ų44123.2 Ų123.236%0.36461%0.611SS.*Hα-helixtrans-67.2-42.1172.300000111.5L124 L125 L126 S131 H132L124-A128 WeakPolarHBondContact O-CB 3.35Å; L124-A128 PolarHBondContact O-N 3.35Å; L125-A128 PolarHBondContact O-N 3.25Å; L126-A128 VanDerWaalsContact C-N 3.35Å; L126-A128 PolarHBondContact O-N 2.95Å; A128-S131 PolarHBondContact O-N 3.42Å; A128-S131 PolarHBondContact O-OG 3.04Å; A128-H132 PolarHBondContact O-CD2 3.41Å; A128-H132 PolarHBondContact O-N 3.36Å
129M59.7Low55.3Low106 Ų106127 Ų12752%0.52263%0.63SS.*Hα-helixtrans-62.5-45.8172.8-98.7176.267.800112.4L125 L126 S131 H132 H133L125-M129 WeakPolarHBondContact O-CB 3.25Å; L125-M129 PolarHBondContact O-N 2.94Å; L126-M129 PolarHBondContact O-N 3.45Å; M129-S131 VanDerWaalsContact C-N 3.29Å; M129-S131 PolarHBondContact O-N 3.4Å; M129-H132 CarbonylContact O-C 3.51Å; M129-H132 WeakPolarHBondContact O-CA 3.36Å; M129-H132 PolarHBondContact O-N 3.34Å; M129-H133 PolarHBondContact O-CD2 3.22Å; M129-H133 VanDerWaalsContact O-CG 3.23Å; M129-H133 PolarHBondContact O-N 2.89Å; M129-H133 VanDerWaalsContact O-N 3.12Å; M129-H133 PolarHBondContact O-NE2 2.85Å
130E54.9Low54.6Low145 Ų145127.3 Ų127.368%0.67864%0.641SS**Hα-helixtrans-58.6-38.6174.9-96.5178.8155.900112.4L126 H132 H133L126-E130 WeakPolarHBondContact O-CB 3.12Å; L126-E130 PolarHBondContact O-N 3.11Å; E130-H132 PolarHBondContact O-N 3.07Å; E130-H133 PolarHBondContact O-N 3.03Å
131S57.5Low54.3Low81 Ų81129.2 Ų129.257%0.56666%0.656SS**Hα-helixtrans-68-24.3174.576.50000113.5K127 A128 M129K127-S131 PolarHBondContact O-N 3.17Å; A128-S131 PolarHBondContact O-N 3.42Å; A128-S131 PolarHBondContact O-OG 3.04Å; M129-S131 VanDerWaalsContact C-N 3.29Å; M129-S131 PolarHBondContact O-N 3.4Å
132H51.4Low53.3Low140 Ų140137.7 Ų137.765%0.64868%0.68SS**Hα-helixtrans-88.3-9.8176.3-72.8-51.8000113.8A128 M129 E130 Q134 H135A128-H132 PolarHBondContact O-CD2 3.41Å; A128-H132 PolarHBondContact O-N 3.36Å; M129-H132 CarbonylContact O-C 3.51Å; M129-H132 WeakPolarHBondContact O-CA 3.36Å; M129-H132 PolarHBondContact O-N 3.34Å; E130-H132 PolarHBondContact O-N 3.07Å; H132-Q134 PolarHBondContact O-N 2.98Å; H132-H135 PolarHBondContact O-N 3.12Å
133H48.4Very low52.6Low125 Ų125139 Ų13958%0.57969%0.693SS**THydrogen-bonded Turntrans-78.26.4-178.3-68.4-37000115.2M129 E130 H135M129-H133 PolarHBondContact O-CD2 3.22Å; M129-H133 VanDerWaalsContact O-CG 3.23Å; M129-H133 PolarHBondContact O-N 2.89Å; M129-H133 VanDerWaalsContact O-N 3.12Å; M129-H133 PolarHBondContact O-NE2 2.85Å; E130-H133 PolarHBondContact O-N 3.03Å; H133-H135 VanDerWaalsContact C-N 3.29Å
134Q46Very low51.6Low181 Ų181137.1 Ų137.185%0.84669%0.694SS**THydrogen-bonded Turntrans-80.7-4.6167.7-73.5-161.4-9.300114.2H132H132-Q134 PolarHBondContact O-N 2.98Å
135H44Very low50.9Low164 Ų164143.7 Ų143.776%0.75971%0.712SS**SBendtrans-110.2122.5171.7-69.9-66.6000110.8H132 H133H132-H135 PolarHBondContact O-N 3.12Å; H133-H135 VanDerWaalsContact C-N 3.29Å
136K42.7Very low50Low195 Ų195146.5 Ų146.585%0.84873%0.725SS**  trans-48.1139.1176.6-73.7177.1173.4179.70111.1T138K136-T138 PolarHBondContact O-N 2.92Å
137P45.7Very low49Very low123 Ų123146.7 Ų146.780%0.79973%0.732SS**  trans-79.9111.6169.332.4-26.8000107.7
138T43.7Very low48.5Very low136 Ų136148.7 Ų148.783%0.83474%0.743SS**  trans-85.9113.3155.1-640000105.9K136 D140K136-T138 PolarHBondContact O-N 2.92Å; T138-D140 PolarHBondContact O-N 3.04Å
139E50.8Low48.1Very low173 Ų173154.3 Ų154.381%0.80876%0.76SS**  trans-52.4117.1171.5-64176.2162.900109.5
140D41.4Very low48Very low146 Ų146159.5 Ų159.578%0.78178%0.779SS**  trans-170.1111.9130.1-96-26.6000110.6T138 W142T138-D140 PolarHBondContact O-N 3.04Å; D140-W142 VanDerWaalsContact C-N 3.35Å; D140-W142 PolarHBondContact O-N 2.97Å
141L53.5Low47.6Very low169 Ų169160.9 Ų160.989%0.88578%0.783SS**  trans-72.976.1174-80.7159.5000110.9
142W40.3Very low47.1Very low228 Ų228164.8 Ų164.886%0.86480%0.797SS**  trans-144.1112.1163.6-62.890.4000110.8D140D140-W142 VanDerWaalsContact C-N 3.35Å; D140-W142 PolarHBondContact O-N 2.97Å
143L49.8Very low47Very low161 Ų161170.2 Ų170.284%0.84381%0.812SS**  trans-47.3140.1160.1-71.4164.1000108.6R145L143-R145 PolarHBondContact O-N 3.45Å
144P43.9Very low47Very low116 Ų116169 Ų16975%0.75382%0.817SS**  trans-63.499.3176.8-14.126.7000108.9M146P144-M146 VanDerWaalsContact C-N 3.32Å; P144-M146 PolarHBondContact O-N 3.44Å
145R46.5Very low47.3Very low240 Ų240170.4 Ų170.491%0.90682%0.82SS**  trans-71.295.5171.3-173.6176.8176.9-173.2-0.6106.8L143L143-R145 PolarHBondContact O-N 3.45Å
146M44.6Very low47.5Very low151 Ų151170.4 Ų170.474%0.74483%0.825SS**  trans-52130.5176.7-69.3-68.6-80.100109.8P144 Q148P144-M146 VanDerWaalsContact C-N 3.32Å; P144-M146 PolarHBondContact O-N 3.44Å; M146-Q148 PolarHBondContact O-N 3.28Å
147P42.2Very low48.2Very low106 Ų106169.8 Ų169.869%0.68882%0.822SS**  trans-68.4111.4178.525.4-30.7000108.9K149P147-K149 PolarHBondContact O-N 3.48Å
148Q53Low48.2Very low192 Ų192169.4 Ų169.490%0.89782%0.82SS**  trans-69.678.4166.5-75.4-169.6-7.700109.2M146 K150M146-Q148 PolarHBondContact O-N 3.28Å; Q148-K150 PolarHBondContact O-N 2.91Å; Q148-K150 VanDerWaalsContact O-N 3.13Å
149K50.2Low48.5Very low162 Ų162170 Ų17070%0.70482%0.817SS**  trans-67.7107.2160.3-77.2-174.5176.3179.20106.9P147 K151P147-K149 PolarHBondContact O-N 3.48Å; K149-K151 HydrophobicContact CB-CG 4.29Å; K149-K151 PolarHBondContact O-N 3.48Å
150K57Low48.2Very low216 Ų216169.8 Ų169.894%0.93981%0.813SS**  trans-56.489.8161-74178.1178.3177.60107.8Q148Q148-K150 PolarHBondContact O-N 2.91Å; Q148-K150 VanDerWaalsContact O-N 3.13Å
151K46.2Very low48.3Very low173 Ų173168.6 Ų168.675%0.75281%0.813SS**  trans-93.5122.1167.5-69.5-155.5176.7-171.90107.6K149K149-K151 HydrophobicContact CB-CG 4.29Å; K149-K151 PolarHBondContact O-N 3.48Å
152L46.8Very low47.9Very low163 Ų163166.6 Ų166.685%0.85380%0.803SS**  trans-36.9138.5166-11081.6000110.2S154L152-S154 PolarHBondContact O-N 3.45Å
153R50.5Low48Very low255 Ų255161.7 Ų161.796%0.96280%0.798SS**  trans-47.298.3171.6-81.4-179.4173.6178.4-1.7109.8
154S47.9Very low47.9Very low98 Ų98160.2 Ų160.269%0.68579%0.79SS**  trans-86.4128.7158.753.80000106.2L152 L156L152-S154 PolarHBondContact O-N 3.45Å; S154-L156 PolarHBondContact O-N 2.98Å
155K53.3Low48Very low211 Ų211158.9 Ų158.992%0.91778%0.784SS**  trans-46.5108.7178.4-74.1173.3174.3178.40109K157K155-K157 PolarHBondContact O-N 3.35Å; K155-K157 VanDerWaalsContact O-N 3.15Å
156L47.9Very low47.8Very low164 Ų164154.1 Ų154.186%0.85978%0.777SS**PPolyproline II helixtrans-59.7117.3172.1-74.1164.6000107.2S154S154-L156 PolarHBondContact O-N 2.98Å
157K56.3Low48.1Very low183 Ų183152.2 Ų152.280%0.79677%0.769SS**PPolyproline II helixtrans-63.3134.6161.7-72.4-175.7175.9-1770107.2K155 I159K155-K157 PolarHBondContact O-N 3.35Å; K155-K157 VanDerWaalsContact O-N 3.15Å; K157-I159 PolarHBondContact O-N 3.01Å; K157-I159 VanDerWaalsContact O-N 3.15Å
158P47.5Very low48.4Very low115 Ų115153.4 Ų153.475%0.74778%0.777SS**PPolyproline II helixtrans-63.8120.7172.826.8-29.9000107.5F160P158-F160 PolarHBondContact O-N 3.47Å; P158-F160 VanDerWaalsContact O-N 3.11Å
159I49.6Very low48.3Very low149 Ų149150.2 Ų150.276%0.76477%0.771SS**SBendtrans-73.85.2-177.6-71.7170.6000111.9K157K157-I159 PolarHBondContact O-N 3.01Å; K157-I159 VanDerWaalsContact O-N 3.15Å
160F43.2Very low48.4Very low167 Ų167147.2 Ų147.273%0.73277%0.77SS**SBendtrans-141.7128.4172.1-77.1-86000110.4P158 L162P158-F160 PolarHBondContact O-N 3.47Å; P158-F160 VanDerWaalsContact O-N 3.11Å; F160-L162 PolarHBondContact O-N 3.17Å
161P43.9Very low48.3Very low122 Ų122146.5 Ų146.579%0.79277%0.767SS**  trans-70.791.1162.429.1-28.2000107.1T163P161-T163 VanDerWaalsContact C-N 3.33Å; P161-T163 PolarHBondContact O-N 3.21Å
162L44.3Very low48.3Very low126 Ų126148.1 Ų148.166%0.6677%0.769SS**  trans-77.495159-163.282.2000105.5F160 L164F160-L162 PolarHBondContact O-N 3.17Å; L162-L164 VanDerWaalsContact C-N 3.26Å; L162-L164 PolarHBondContact O-N 3.42Å
163T44.3Very low48.6Very low125 Ų125148.3 Ų148.377%0.76777%0.765SS**  trans-65.396.8163.346.30000106.5P161 S165P161-T163 VanDerWaalsContact C-N 3.33Å; P161-T163 PolarHBondContact O-N 3.21Å; T163-S165 VanDerWaalsContact C-N 3.27Å; T163-S165 PolarHBondContact O-N 3.38Å
164L46.5Very low48.7Very low130 Ų130144.7 Ų144.768%0.68176%0.759SS**  trans-66.498.5160-165.382.5000104.9L162 D166L162-L164 VanDerWaalsContact C-N 3.26Å; L162-L164 PolarHBondContact O-N 3.42Å; L164-D166 PolarHBondContact O-N 3.43Å
165S46Very low48.9Very low89 Ų89149.1 Ų149.162%0.62276%0.761SS**  trans-75.7115.9170-162.10000106.5T163 D167T163-S165 VanDerWaalsContact C-N 3.27Å; T163-S165 PolarHBondContact O-N 3.38Å; S165-D167 PolarHBondContact O-N 3.26Å
166D42.7Very low48.8Very low140 Ų140147.5 Ų147.575%0.74975%0.754SS**  trans-74.252.6-179.4-70.8-39.2000112L164L164-D166 PolarHBondContact O-N 3.43Å
167D51.4Low49.5Very low110 Ų110150.6 Ų150.659%0.58875%0.754SS**  trans-114.9115.7173.4-86.5-38.6000110.9S165 T169S165-D167 PolarHBondContact O-N 3.26Å; D167-T169 PolarHBondContact O-N 3.04Å; D167-T169 VanDerWaalsContact O-N 3.08Å
168P48.8Very low49.6Very low132 Ų132150.9 Ų150.986%0.85776%0.756SS**THydrogen-bonded Turntrans-77.612.3-173.729.9-33.9000114.7
169T49.4Very low50.1Low125 Ų125148 Ų14877%0.76774%0.739SS**THydrogen-bonded Turntrans-114.1-9.6-170.745.40000116.4D167 K171D167-T169 PolarHBondContact O-N 3.04Å; D167-T169 VanDerWaalsContact O-N 3.08Å; T169-K171 PolarHBondContact O-N 3.43Å
170S52.6Low51Low98 Ų98143.9 Ų143.969%0.68572%0.721SS**  trans-91.4109.4178.569.90000111.8R172S170-R172 PolarHBondContact O-N 3.4Å
171K54.5Low52Low201 Ų201142 Ų14287%0.87472%0.718SS**  trans-57109.5167.7-69.6179.4179.9176.80108.8T169 E173T169-K171 PolarHBondContact O-N 3.43Å; K171-E173 PolarHBondContact O-N 2.98Å
172R46.4Very low53Low207 Ų207141.3 Ų141.378%0.78171%0.708SS**  trans-74.593-178.6-163.6178.6-170.1-177.14.5109.2S170 Q174S170-R172 PolarHBondContact O-N 3.4Å; R172-Q174 PolarHBondContact O-N 3.36Å
173E53.7Low53.9Low167 Ų167139.9 Ų139.978%0.7870%0.701SS**  trans-61.2127.3165.7-76.8178.1168.800109K171 W175K171-E173 PolarHBondContact O-N 2.98Å; E173-W175 VanDerWaalsContact O-CD1 3.25Å; E173-W175 PolarHBondContact O-N 2.73Å
174Q52.2Low54.6Low179 Ų179141.4 Ų141.484%0.83670%0.697SS**  trans-74.6115.7-175.9-177.1174.9-17.400109R172 F176R172-Q174 PolarHBondContact O-N 3.36Å; Q174-F176 PolarHBondContact O-N 3.35Å
175W51.5Low55.1Low191 Ų191142.2 Ų142.272%0.72370%0.695SS**  trans-68.8118-179.8-68.562.1000109.6E173 R177 T180E173-W175 VanDerWaalsContact O-CD1 3.25Å; E173-W175 PolarHBondContact O-N 2.73Å; W175-R177 PolarHBondContact O-N 2.83Å; W175-T180 HydrophobicContact CZ3-CG2 4.45Å
176F52.5Low55.5Low177 Ų177142.7 Ų142.778%0.77670%0.699SS**  trans-57.7125.6162.3-74.1-88.3000107.6Q174 F178 S179Q174-F176 PolarHBondContact O-N 3.35Å; F176-F178 PolarHBondContact O-N 2.76Å; F176-S179 PolarHBondContact O-N 3.43Å
177R61.4Low56.2Low229 Ų229144.1 Ų144.186%0.86470%0.7SS**THydrogen-bonded Turntrans-63.7-5.2-168-72.1-168.2169.1-133.4-0.5115.7W175W175-R177 PolarHBondContact O-N 2.83Å
178F58.4Low56.5Low190 Ų190140.7 Ų140.783%0.83369%0.692SS**THydrogen-bonded Turntrans-138.710.7-171.8-59.1-71.8000114.5F176F176-F178 PolarHBondContact O-N 2.76Å
179S58.9Low56.8Low54 Ų54143.4 Ų143.438%0.37869%0.69SS.*  trans-140.9122.4176.5-56.10000110.2F176 D183F176-S179 PolarHBondContact O-N 3.43Å; S179-D183 WeakPolarHBondContact CA-OD2 3.17Å
180T68Low57.4Low63 Ų63147.1 Ų147.139%0.38769%0.691SS.*  trans-91.4156.2169.944.30000110.1W175 N182 D183W175-T180 HydrophobicContact CZ3-CG2 4.45Å; T180-N182 PolarHBondContact O-N 2.87Å; T180-D183 PolarHBondContact N-OD2 3.15Å; T180-D183 WeakPolarHBondContact O-CB 3.43Å; T180-D183 PolarHBondContact O-N 3.49Å; T180-D183 PolarHBondContact OG1-OD2 2.86Å
181D64.9Low58.3Low127 Ų127145.6 Ų145.668%0.67968%0.681SS**THydrogen-bonded Turntrans-55.8-21.5174.7-73.2-17.3000113.2
182N64.4Low59.4Low108 Ų108145 Ų14558%0.57868%0.678SS**THydrogen-bonded Turntrans-75.5-23.6174.9-67-34.5000113.5T180 F184 K185T180-N182 PolarHBondContact O-N 2.87Å; N182-F184 PolarHBondContact O-N 3.15Å; N182-K185 PolarHBondContact O-N 2.94Å; N182-K185 VanDerWaalsContact O-N 3.1Å; N182-K185 PolarHBondContact OD1-NZ 3.38Å
183D62.5Low60.9Low95 Ų95140.3 Ų140.351%0.50867%0.672SS.*THydrogen-bonded Turntrans-68.4-22.9176-63.5-42.2000111.6S179 T180S179-D183 WeakPolarHBondContact CA-OD2 3.17Å; T180-D183 PolarHBondContact N-OD2 3.15Å; T180-D183 WeakPolarHBondContact O-CB 3.43Å; T180-D183 PolarHBondContact O-N 3.49Å; T180-D183 PolarHBondContact OG1-OD2 2.86Å
184F59.3Low62.1Low157 Ų157139.3 Ų139.369%0.68966%0.662SS**THydrogen-bonded Turntrans-90.8-4174.8-59.4-78000113.4N182 S186N182-F184 PolarHBondContact O-N 3.15Å; F184-S186 PolarHBondContact O-N 3Å
185K57.9Low63.4Low148 Ų148133.4 Ų133.464%0.64364%0.644SS**  trans-88.732.1176.5-66.4-174.6-174.6171.40113.2N182 E187N182-K185 PolarHBondContact O-N 2.94Å; N182-K185 VanDerWaalsContact O-N 3.1Å; N182-K185 PolarHBondContact OD1-NZ 3.38Å; K185-E187 VanDerWaalsContact C-N 3.33Å; K185-E187 PolarHBondContact O-N 2.88Å
186S54.3Low64.8Low99 Ų99128.3 Ų128.369%0.69263%0.631SS**  trans-72.195.9165.558.90000108.1F184 G188F184-S186 PolarHBondContact O-N 3Å; S186-G188 PolarHBondContact O-N 2.93Å
187E56.4Low66.1Low169 Ų169128.5 Ų128.579%0.7963%0.626SS**  trans-59.293.6154.5-82.5-172.9167.500106.2K185 K189K185-E187 VanDerWaalsContact C-N 3.33Å; K185-E187 PolarHBondContact O-N 2.88Å; E187-K189 VanDerWaalsContact C-N 3.3Å; E187-K189 PolarHBondContact O-N 3.39Å
188G57.6Low67.1Low39 Ų39121 Ų12140%0.40260%0.602SS.*  trans-58.197175.300000108.3S186 Y190S186-G188 PolarHBondContact O-N 2.93Å; G188-Y190 WeakPolarHBondContact O-CD2 3.42Å; G188-Y190 PolarHBondContact O-N 3.28Å
189K55.6Low68.2Low188 Ų188116.3 Ų116.382%0.81758%0.582SS**  trans-72.676.5170.2-71-173.6-177.9178.30107.5E187 S191E187-K189 VanDerWaalsContact C-N 3.3Å; E187-K189 PolarHBondContact O-N 3.39Å; K189-S191 PolarHBondContact O-N 3.05Å
190Y62.3Low69.4Low203 Ų203119.1 Ų119.180%0.79659%0.588SS**  trans-65.7109.5173.3-61.7-75.1000107.8G188 K192G188-Y190 WeakPolarHBondContact O-CD2 3.42Å; G188-Y190 PolarHBondContact O-N 3.28Å; Y190-K192 PolarHBondContact O-N 2.91Å
191S71.4Confident70.2Confident67 Ų67124.1 Ų124.147%0.46960%0.604SS.*  trans-59.3111.2172.6172.80000108.3K189 V193 Y194 A195K189-S191 PolarHBondContact O-N 3.05Å; S191-V193 PolarHBondContact O-N 2.96Å; S191-V193 VanDerWaalsContact O-N 3.12Å; S191-Y194 WeakPolarHBondContact O-CA 3.48Å; S191-Y194 WeakPolarHBondContact O-CB 3.21Å; S191-Y194 PolarHBondContact O-N 3.24Å; S191-Y194 PolarHBondContact OG-N 3.44Å; S191-A195 PolarHBondContact O-N 3.45Å
192K77.7Confident71.1Confident187 Ų187123.8 Ų123.881%0.81360%0.6SS**Hα-helixtrans-51.8-34.9175.4-69.9179.4179.41760111.2Y190 A195 L196Y190-K192 PolarHBondContact O-N 2.91Å; K192-A195 PolarHBondContact O-N 3.36Å; K192-L196 VanDerWaalsContact O-CB 3.3Å; K192-L196 WeakPolarHBondContact O-CB 3.48Å; K192-L196 PolarHBondContact O-N 2.89Å
193V77.9Confident72Confident109 Ų109124.6 Ų124.666%0.66160%0.596SS**Hα-helixtrans-65.6-42.5177.2-1770000111.3S191 L196 R197S191-V193 PolarHBondContact O-N 2.96Å; S191-V193 VanDerWaalsContact O-N 3.12Å; V193-L196 PolarHBondContact O-N 3.38Å; V193-R197 WeakPolarHBondContact O-CB 3.42Å; V193-R197 PolarHBondContact O-N 2.85Å
194Y77.9Confident72.7Confident147 Ų147125 Ų12558%0.57660%0.603SS**Hα-helixtrans-66.3-43.6177.2-175.4-98.4000111.6S191 L196 R197 M198S191-Y194 WeakPolarHBondContact O-CA 3.48Å; S191-Y194 WeakPolarHBondContact O-CB 3.21Å; S191-Y194 PolarHBondContact O-N 3.24Å; S191-Y194 PolarHBondContact OG-N 3.44Å; Y194-L196 VanDerWaalsContact C-N 3.34Å; Y194-L196 PolarHBondContact O-N 2.88Å; Y194-R197 PolarHBondContact O-N 2.78Å; Y194-M198 HydrophobicContact CD1-CG 4.21Å; Y194-M198 HydrophobicContact CE1-CG 3.81Å; Y194-M198 HydrophobicContact CE2-CG 4.49Å; Y194-M198 WeakPolarHBondContact O-CG 3.29Å; Y194-M198 PolarHBondContact O-N 2.88Å
195A81.2Confident73.7Confident54 Ų54125.9 Ų125.945%0.44661%0.61SS.*Hα-helixtrans-59.4-45.5175.300000111.7S191 K192 R197 M198 Q199S191-A195 PolarHBondContact O-N 3.45Å; K192-A195 PolarHBondContact O-N 3.36Å; A195-R197 PolarHBondContact O-N 2.77Å; A195-M198 PolarHBondContact O-N 3.24Å; A195-Q199 WeakPolarHBondContact O-CB 3.35Å; A195-Q199 PolarHBondContact O-N 3.3Å
196L79.6Confident74.3Confident85 Ų85123.2 Ų123.245%0.44560%0.602SS.*Hα-helixtrans-66.5-37.2179-162.9147.9000112K192 V193 Y194 Q199 K200K192-L196 VanDerWaalsContact O-CB 3.3Å; K192-L196 WeakPolarHBondContact O-CB 3.48Å; K192-L196 PolarHBondContact O-N 2.89Å; V193-L196 PolarHBondContact O-N 3.38Å; Y194-L196 VanDerWaalsContact C-N 3.34Å; Y194-L196 PolarHBondContact O-N 2.88Å; L196-Q199 PolarHBondContact O-N 3.48Å; L196-K200 HydrophobicContact CD2-CD 3.92Å; L196-K200 HydrophobicContact CD2-CG 4.37Å; L196-K200 WeakPolarHBondContact O-CG 3.23Å; L196-K200 PolarHBondContact O-N 3.27Å
197R81.3Confident75.1Confident180 Ų180125.4 Ų125.468%0.67961%0.611SS**Hα-helixtrans-62.9-45.4172.8-179.2-177.5-86.2-173.6-5.2111.5V193 Y194 A195 K200 K201V193-R197 WeakPolarHBondContact O-CB 3.42Å; V193-R197 PolarHBondContact O-N 2.85Å; Y194-R197 PolarHBondContact O-N 2.78Å; A195-R197 PolarHBondContact O-N 2.77Å; R197-K200 PolarHBondContact O-N 3.44Å; R197-K201 PolarHBondContact O-N 3.48Å
198M82.6Confident75.4Confident73 Ų73121.4 Ų121.436%0.3659%0.591SS.*Hα-helixtrans-65.4-39.2178-73-63.6-75.700112.1Y194 A195 K201 M202Y194-M198 HydrophobicContact CD1-CG 4.21Å; Y194-M198 HydrophobicContact CE1-CG 3.81Å; Y194-M198 HydrophobicContact CE2-CG 4.49Å; Y194-M198 WeakPolarHBondContact O-CG 3.29Å; Y194-M198 PolarHBondContact O-N 2.88Å; A195-M198 PolarHBondContact O-N 3.24Å; M198-K201 PolarHBondContact O-N 2.85Å; M198-M202 PolarHBondContact O-N 3.08Å
199Q80.9Confident75.5Confident90 Ų90123.4 Ų123.442%0.42160%0.604SS.*Hα-helixtrans-66.1-42177.6-167.5177.4-8.900112A195 L196 K201 M202 Y203 F208A195-Q199 WeakPolarHBondContact O-CB 3.35Å; A195-Q199 PolarHBondContact O-N 3.3Å; L196-Q199 PolarHBondContact O-N 3.48Å; Q199-K201 VanDerWaalsContact C-N 3.31Å; Q199-K201 PolarHBondContact O-N 3.48Å; Q199-M202 PolarHBondContact O-N 2.63Å; Q199-Y203 HydrophobicContact CG-CD2 4.32Å; Q199-Y203 PolarHBondContact O-N 2.81Å; Q199-F208 HydrophobicContact CG-CZ 3.97Å
200K82.8Confident75.8Confident113 Ų113119.2 Ų119.249%0.49160%0.596SS.*Hα-helixtrans-61.8-37.4172.3-77-178.1173.7-179.60112.4L196 R197 Y203 F208L196-K200 HydrophobicContact CD2-CD 3.92Å; L196-K200 HydrophobicContact CD2-CG 4.37Å; L196-K200 WeakPolarHBondContact O-CG 3.23Å; L196-K200 PolarHBondContact O-N 3.27Å; R197-K200 PolarHBondContact O-N 3.44Å; K200-Y203 CarbonylContact O-C 3.56Å; K200-F208 HydrophobicContact CG-CD2 4.03Å; K200-F208 HydrophobicContact CG-CE2 4.06Å
201K85Confident75.4Confident169 Ų169115.8 Ų115.874%0.73560%0.596SS**Hα-helixtrans-67-41.2176.6-173.2178.7178-1770112.2R197 M198 Q199R197-K201 PolarHBondContact O-N 3.48Å; M198-K201 PolarHBondContact O-N 2.85Å; Q199-K201 VanDerWaalsContact C-N 3.31Å; Q199-K201 PolarHBondContact O-N 3.48Å
202M85.4Confident74.3Confident119 Ų119120 Ų12059%0.58661%0.608SS**Hα-helixtrans-74-31.8179.2-75.7-170.3-73.200113.1M198 Q199M198-M202 PolarHBondContact O-N 3.08Å; Q199-M202 PolarHBondContact O-N 2.63Å
203Y82.4Confident72.9Confident126 Ų126119.1 Ų119.149%0.49461%0.607SS.*  trans-131.170-174.3-54.6-74.6000111.9Q199 K200 Q205 L206Q199-Y203 HydrophobicContact CG-CD2 4.32Å; Q199-Y203 PolarHBondContact O-N 2.81Å; K200-Y203 CarbonylContact O-C 3.56Å; Y203-Q205 PolarHBondContact O-N 3.35Å; Y203-L206 HydrophobicContact CG-CD1 3.97Å; Y203-L206 PolarHBondContact O-N 2.8Å; Y203-L206 VanDerWaalsContact O-N 3.17Å
204P76.6Confident71.5Confident102 Ų102126.1 Ų126.166%0.66262%0.621SS**THydrogen-bonded Turntrans-65.8-21.8-17927-34.8000113L206P204-L206 VanDerWaalsContact C-N 3.25Å; P204-L206 PolarHBondContact O-N 3.13Å
205Q79.8Confident69.9Low177 Ų177121.9 Ų121.983%0.82762%0.623SS**THydrogen-bonded Turntrans-71.2-19.6178.6-35.1-83.17.400112.5Y203 T207Y203-Q205 PolarHBondContact O-N 3.35Å; Q205-T207 PolarHBondContact O-N 3.23Å
206L72.3Confident67.9Low91 Ų91127 Ų12748%0.47664%0.639SS.*  trans-85.6109-176.5-69177.6000109.6Y203 P204 F208Y203-L206 HydrophobicContact CG-CD1 3.97Å; Y203-L206 PolarHBondContact O-N 2.8Å; Y203-L206 VanDerWaalsContact O-N 3.17Å; P204-L206 VanDerWaalsContact C-N 3.25Å; P204-L206 PolarHBondContact O-N 3.13Å; L206-F208 HydrophobicContact CB-CD2 4.4Å; L206-F208 HydrophobicContact CB-CE1 4.43Å; L206-F208 HydrophobicContact CB-CE2 3.78Å; L206-F208 HydrophobicContact CB-CZ 3.79Å; L206-F208 HydrophobicContact CD1-CZ 4Å; L206-F208 WeakPolarHBondContact O-CD2 3.39Å; L206-F208 WeakPolarHBondContact O-CE2 3.45Å; L206-F208 PolarHBondContact O-N 3.44Å; L206-F208 VanDerWaalsContact O-N 3.07Å
207T70.2Confident66.4Low145 Ų145134.6 Ų134.689%0.8966%0.662SS**  trans-73.997.8170.8-370000108.9Q205 A209Q205-T207 PolarHBondContact O-N 3.23Å; T207-A209 PolarHBondContact O-N 3.34Å
208F62.9Low64.5Low85 Ų85135.1 Ų135.137%0.37367%0.669SS.*  trans-75.1115.2174.7-63.5-81.4000109.4Q199 K200 L206Q199-F208 HydrophobicContact CG-CZ 3.97Å; K200-F208 HydrophobicContact CG-CD2 4.03Å; K200-F208 HydrophobicContact CG-CE2 4.06Å; L206-F208 HydrophobicContact CB-CD2 4.4Å; L206-F208 HydrophobicContact CB-CE1 4.43Å; L206-F208 HydrophobicContact CB-CE2 3.78Å; L206-F208 HydrophobicContact CB-CZ 3.79Å; L206-F208 HydrophobicContact CD1-CZ 4Å; L206-F208 WeakPolarHBondContact O-CD2 3.39Å; L206-F208 WeakPolarHBondContact O-CE2 3.45Å; L206-F208 PolarHBondContact O-N 3.44Å; L206-F208 VanDerWaalsContact O-N 3.07Å
209A59.9Low62.7Low81 Ų81139.5 Ų139.567%0.66969%0.694SS**  trans-60.1134.7169.300000109T207 V211T207-A209 PolarHBondContact O-N 3.34Å; A209-V211 PolarHBondContact O-N 3.24Å
210P62.3Low60.5Low100 Ų100139.8 Ų139.865%0.64971%0.712SS**  trans-57.7129.2176.722.5-30.4000108.7H212P210-H212 PolarHBondContact O-CE1 3.02Å; P210-H212 PolarHBondContact O-N 2.8Å; P210-H212 PolarHBondContact O-ND1 3.07Å
211V54.1Low58.8Low131 Ų131139.4 Ų139.479%0.79472%0.723SS**  trans-61.9105.9175.9177.50000106.8A209 E213A209-V211 PolarHBondContact O-N 3.24Å; V211-E213 PolarHBondContact O-N 3.05Å
212H47.3Very low56.7Low156 Ų156141 Ų14172%0.72273%0.73SS**  trans-68.8120.8169.3-63.833.4000105.3P210 R214P210-H212 PolarHBondContact O-CE1 3.02Å; P210-H212 PolarHBondContact O-N 2.8Å; P210-H212 PolarHBondContact O-ND1 3.07Å; H212-R214 VanDerWaalsContact C-N 3.26Å; H212-R214 PolarHBondContact O-N 2.94Å
213E49Very low54.6Low169 Ų169145.3 Ų145.379%0.7975%0.746SS**  trans-58.692.8174.4-73.3-176.2160.500108.8V211 G215V211-E213 PolarHBondContact O-N 3.05Å; E213-G215 PolarHBondContact O-N 3.11Å
214R47.1Very low52.5Low255 Ų255144.8 Ų144.896%0.96276%0.761SS**THydrogen-bonded Turntrans-74.769.2170.5-170-173.4-67.6-155.9-1.2107.4H212H212-R214 VanDerWaalsContact C-N 3.26Å; H212-R214 PolarHBondContact O-N 2.94Å
215G45.2Very low50.6Low59 Ų59144.6 Ų144.661%0.60877%0.768SS**THydrogen-bonded Turntrans-157.610.7-169.900000115.6E213E213-G215 PolarHBondContact O-N 3.11Å
216M39.2Very low48.7Very low160 Ų160142.1 Ų142.179%0.78877%0.77SS**  trans-121.595.3170.4-70.6-80.6152.200108.3K218M216-K218 PolarHBondContact O-N 3.29Å
217R47.8Very low47.1Very low245 Ų245146.7 Ų146.793%0.92579%0.789SS**  trans-61.8114.7163-72.6-169.3-177.6-160.83.1107.3
218K41.7Very low45.8Very low192 Ų192151.2 Ų151.284%0.83579%0.789SS**  trans-131.2117.6153.6-78.2-170.2177-179.40107.7M216 A220M216-K218 PolarHBondContact O-N 3.29Å; K218-A220 PolarHBondContact O-N 2.93Å
219D44.1Very low44.8Very low164 Ų164152.7 Ų152.788%0.87781%0.808SS**  trans-56.1127.3172-60.2-61.9000110.2
220A36.1Very low44Very low96 Ų96156 Ų15679%0.79381%0.813SS**  trans-158.9106.7156.400000109.1K218K218-A220 PolarHBondContact O-N 2.93Å
221S46.8Very low43.4Very low105 Ų105156.6 Ų156.673%0.73482%0.819SS**  trans-54.2144.6165.667.90000111.6
222K40.7Very low43.1Very low203 Ų203159 Ų15988%0.88382%0.819SS**  -178.7144.8116.5-95.2168.9-170.3-172.30110.7
223K42Very low43.4Very low210 Ų210157.4 Ų157.491%0.91382%0.82SS**  trans-68144.4-176-66.8166.6170.5175.30112.9
224S37Very low43.5Very low115 Ų115156 Ų15680%0.80482%0.817SS**  trans-157.1105136.851.10000107.2
225A36.4Very low43.7Very low98 Ų98154.7 Ų154.781%0.8181%0.811SS**  70.993.893.900000113.7
226S40.2Very low44.3Very low124 Ų124159.4 Ų159.487%0.86782%0.818SS**  trans57.994.2140.3172.50000119
227E38.8Very low45.1Very low188 Ų188156.9 Ų156.988%0.87981%0.813SS**  trans-142.2130.3143.8-154.1170-165.800109.9
228R43.1Very low45.6Very low239 Ų239152.1 Ų152.190%0.90281%0.805SS**  trans-56.8131.6-174.7-75.4172.7171.4171.8-3.4111.4I230R228-I230 PolarHBondContact O-N 2.76Å
229P41.8Very low46.7Very low117 Ų117147 Ų14776%0.7679%0.791SS**  trans-82112.617130.7-28.2000109.8S231P229-S231 PolarHBondContact O-N 3.03Å
230I43.4Very low47.5Very low151 Ų151146.2 Ų146.277%0.77479%0.785SS**  trans-49.5133.9150.6-64.1164.7000106.8R228 K232R228-I230 PolarHBondContact O-N 2.76Å; I230-K232 PolarHBondContact O-N 3.15Å
231S49.9Very low48.6Very low112 Ų112144.9 Ų144.978%0.78377%0.774SS**  trans-5496.3-178.159.40000110.5P229 V233P229-S231 PolarHBondContact O-N 3.03Å; S231-V233 PolarHBondContact O-N 2.68Å; S231-V233 VanDerWaalsContact O-N 3.13Å
232K48.3Very low49.3Very low180 Ų180141.9 Ų141.978%0.78375%0.754SS**  trans-68.3110168.4-68.8177.9-178.2175.90105.2I230 I234I230-K232 PolarHBondContact O-N 3.15Å; K232-I234 VanDerWaalsContact C-N 3.28Å; K232-I234 PolarHBondContact O-N 3.46Å
233V52.6Low50.1Low124 Ų124137.3 Ų137.375%0.75274%0.738SS**  trans-56.1104.1159.8174.20000105.1S231 R235S231-V233 PolarHBondContact O-N 2.68Å; S231-V233 VanDerWaalsContact O-N 3.13Å; V233-R235 VanDerWaalsContact C-N 3.27Å; V233-R235 PolarHBondContact O-N 3.41Å
234I51.5Low50.9Low140 Ų140133.4 Ų133.472%0.71873%0.726SS**  trans-6696.7175.9-59.8170.1000104.5K232 E236K232-I234 VanDerWaalsContact C-N 3.28Å; K232-I234 PolarHBondContact O-N 3.46Å; I234-E236 HydrophobicContact CG2-CG 3.94Å; I234-E236 PolarHBondContact O-N 3.22Å
235R50.8Low52Low226 Ų226136.1 Ų136.185%0.85373%0.726SS**  trans-73.492163.2-71.3-172.5176-176.8-0.9105.3V233V233-R235 VanDerWaalsContact C-N 3.27Å; V233-R235 PolarHBondContact O-N 3.41Å
236E58.6Low53Low159 Ų159139.2 Ų139.274%0.74372%0.724SS**  trans-55137.5168.2-68.9-174.8158.800108.4I234 L238I234-E236 HydrophobicContact CG2-CG 3.94Å; I234-E236 PolarHBondContact O-N 3.22Å; E236-L238 PolarHBondContact O-N 2.93Å
237P55.4Low53.9Low106 Ų106140.4 Ų140.469%0.68872%0.718SS**  trans-59.9131.6174.325.5-31.6000108.1T239P237-T239 VanDerWaalsContact C-N 3.27Å; P237-T239 PolarHBondContact O-N 3.46Å; P237-T239 PolarHBondContact O-OG1 3.35Å
238L58.3Low54.6Low146 Ų146136.2 Ų136.276%0.76471%0.707SS**  trans-62.190.4176.5-164.884.7000109E236 L243E236-L238 PolarHBondContact O-N 2.93Å; L238-L243 HydrophobicContact CD2-CD1 4.47Å
239T65.8Low55.3Low85 Ų85131.1 Ų131.152%0.52170%0.702SS.*  trans-79.4148.5176.58.20000109.7P237 A241 S242P237-T239 VanDerWaalsContact C-N 3.27Å; P237-T239 PolarHBondContact O-N 3.46Å; P237-T239 PolarHBondContact O-OG1 3.35Å; T239-A241 PolarHBondContact O-N 3.16Å; T239-S242 PolarHBondContact O-N 3.36Å; T239-S242 PolarHBondContact O-OG 3.03Å
240L59.3Low56Low146 Ų146136.3 Ų136.376%0.76471%0.707SS**Hα-helixtrans-52.9-29.4175.8-81.6165.5000112.8S242 L243 L244L240-S242 PolarHBondContact O-N 3.36Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-L244 WeakPolarHBondContact O-CG 3.43Å; L240-L244 PolarHBondContact O-N 3.06Å
241A60.8Low56.4Low68 Ų68136.3 Ų136.356%0.56271%0.708SS**Hα-helixtrans-60.3-40.1173.600000113.4T239 L243 L244 E245T239-A241 PolarHBondContact O-N 3.16Å; A241-L243 VanDerWaalsContact C-N 3.27Å; A241-L243 PolarHBondContact O-N 2.94Å; A241-L244 PolarHBondContact O-N 3.05Å; A241-E245 PolarHBondContact O-N 2.72Å; A241-E245 VanDerWaalsContact O-N 3.15Å
242S60.7Low56.5Low43 Ų43134.9 Ų134.930%0.30170%0.704SS.*Hα-helixtrans-72.4-22.6179.366.80000112.6T239 L240T239-S242 PolarHBondContact O-N 3.36Å; T239-S242 PolarHBondContact O-OG 3.03Å; L240-S242 PolarHBondContact O-N 3.36Å
243L56.8Low56.8Low107 Ų107131.9 Ų131.956%0.5670%0.703SS**Hα-helixtrans-78.6-27.1175.1-157.1117.8000112.2L238 L240 A241L238-L243 HydrophobicContact CD2-CD1 4.47Å; L240-L243 PolarHBondContact O-N 3.12Å; A241-L243 VanDerWaalsContact C-N 3.27Å; A241-L243 PolarHBondContact O-N 2.94Å
244L59.8Low56.5Low127 Ų127128.5 Ų128.567%0.66569%0.693SS**Hα-helixtrans-83.3-26.9177.6-67.9171.5000112.3L240 A241 E246L240-L244 WeakPolarHBondContact O-CG 3.43Å; L240-L244 PolarHBondContact O-N 3.06Å; A241-L244 PolarHBondContact O-N 3.05Å; L244-E246 VanDerWaalsContact C-N 3.26Å; L244-E246 PolarHBondContact O-N 2.97Å
245E60Low56.6Low172 Ų172131.1 Ų131.180%0.80470%0.702SS**Hα-helixtrans-68.1-27.2176.2-133174.6-173.800112.2A241 M247A241-E245 PolarHBondContact O-N 2.72Å; A241-E245 VanDerWaalsContact O-N 3.15Å; E245-M247 PolarHBondContact O-N 3.2Å
246E57.4Low56.6Low164 Ų164125.4 Ų125.477%0.76670%0.697SS**THydrogen-bonded Turntrans-97.337.5-178.8-149.2-175.7-163.200113.1L244 P248L244-E246 VanDerWaalsContact C-N 3.26Å; L244-E246 PolarHBondContact O-N 2.97Å; E246-P248 WeakPolarHBondContact O-CD 3.45Å
247M59Low56.1Low148 Ų148121.1 Ų121.173%0.72969%0.688SS**  trans-97.485.9161.6-73.1-126119.400109.6E245 T249E245-M247 PolarHBondContact O-N 3.2Å; M247-T249 PolarHBondContact O-N 3.38Å
248P52.8Low55.8Low100 Ų100125.8 Ų125.865%0.64970%0.698SS**  trans-65.5108.8161.328.3-29.8000105.8E246 R250E246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-R250 PolarHBondContact O-N 3.14Å
249T57.5Low55.4Low132 Ų132128.4 Ų128.481%0.8170%0.698SS**  trans-59.388.7167.2-46.70000107.5M247 N251M247-T249 PolarHBondContact O-N 3.38Å; T249-N251 PolarHBondContact O-N 2.78Å
250R57.4Low54.5Low227 Ų227130.6 Ų130.686%0.85771%0.707SS**  trans-79.8112.4170.9-97.5-174.1164.5172.8-2.4106.7P248 A252P248-R250 PolarHBondContact O-N 3.14Å; R250-A252 PolarHBondContact O-N 3.12Å
251N51.8Low54.2Low150 Ų150128 Ų12880%0.80272%0.715SS**  trans-55.8112.3169.6-67.4-24.2000108.6T249T249-N251 PolarHBondContact O-N 2.78Å
252A51.9Low53.7Low83 Ų83135 Ų13569%0.68673%0.727SS**PPolyproline II helixtrans-67.1138.9171.100000108.7R250 G254R250-A252 PolarHBondContact O-N 3.12Å; A252-G254 PolarHBondContact O-N 3.43Å
253P53.6Low53.3Low117 Ų117137 Ų13776%0.7675%0.745SS**PPolyproline II helixtrans-58132.8173.623.2-30.2000109.3
254G47.3Very low53.1Low53 Ų53137.1 Ų137.155%0.54675%0.753SS.*PPolyproline II helixtrans-58.3173.9-160.600000117.4A252 S256 A257A252-G254 PolarHBondContact O-N 3.43Å; G254-S256 PolarHBondContact O-N 2.85Å; G254-A257 PolarHBondContact O-N 3.25Å
255E53.4Low52.7Low194 Ų194139.5 Ų139.591%0.90776%0.761SS**THydrogen-bonded Turntrans-48.5-6.9-172.5-143165.2-176.200116.7
256S50.9Low51.9Low107 Ų107142.5 Ų142.575%0.74877%0.765SS**THydrogen-bonded Turntrans-97-7.8176.870.30000115G254 F258G254-S256 PolarHBondContact O-N 2.85Å; S256-F258 VanDerWaalsContact C-N 3.34Å; S256-F258 PolarHBondContact O-N 3.49Å
257A49.1Very low51.7Low68 Ų68141.4 Ų141.456%0.56276%0.763SS**THydrogen-bonded Turntrans-80.5-11.5-176.900000114.4G254G254-A257 PolarHBondContact O-N 3.25Å
258F47.7Very low51.3Low204 Ų204141.9 Ų141.990%0.89577%0.767SS**THydrogen-bonded Turntrans-116.817.6-175.1-98.6-84.4000114.7S256S256-F258 VanDerWaalsContact C-N 3.34Å; S256-F258 PolarHBondContact O-N 3.49Å
259R50.9Low51Low201 Ų201145.6 Ų145.676%0.75877%0.772SS**SBendtrans-116.4113.6173.1-66.6-168.8179.6-117.32.7109.3
260N47.4Very low50.5Low132 Ų132148.2 Ų148.271%0.70677%0.773SS**  trans93.290.3176.5-44.3-27000112.9R262N260-R262 VanDerWaalsContact C-N 3.31Å; N260-R262 PolarHBondContact O-N 3.38Å
261G51.6Low49.9Very low91 Ų91142 Ų14294%0.93877%0.77SS**  trans-52.697.5161.700000109.9
262R50.4Low49.7Very low215 Ų215140.5 Ų140.581%0.81177%0.766SS**  trans-117.6102.8166.1-67.7-168.3-171-146.64.3105.8N260N260-R262 VanDerWaalsContact C-N 3.31Å; N260-R262 PolarHBondContact O-N 3.38Å
263A53Low49.2Very low84 Ų84142.7 Ų142.769%0.69477%0.771SS**  trans-56.8136.3163.500000107.9Q265A263-Q265 PolarHBondContact O-N 2.94Å
264P52.2Low48.6Very low111 Ų111145 Ų14572%0.72178%0.775SS**  trans-61.7108.217423.4-29.6000108W266P264-W266 PolarHBondContact O-N 3.42Å
265Q51.5Low48.1Very low176 Ų176149.1 Ų149.182%0.82282%0.817SS**  trans-69.3127166.8-76.2-179.7-23.100107.6A263 I267A263-Q265 PolarHBondContact O-N 2.94Å; Q265-I267 PolarHBondContact O-N 3.46Å
266W43.7Very low47.8Very low236 Ų236146.9 Ų146.989%0.89481%0.813SS**  trans-75.499.1178.5-6629.1000107.1P264 I268P264-W266 PolarHBondContact O-N 3.42Å; W266-I268 PolarHBondContact O-N 3.23Å; W266-I268 VanDerWaalsContact O-N 3.1Å
267I52.7Low47.7Very low140 Ų140148.9 Ų148.972%0.71882%0.816SS**  trans-74.199.8174.5-58.5173.1000107.3Q265 K269Q265-I267 PolarHBondContact O-N 3.46Å; I267-K269 HydrophobicContact CG2-CG 4.2Å; I267-K269 PolarHBondContact O-N 3.32Å
268I50.4Low47.6Very low159 Ų159153.4 Ų153.482%0.81583%0.83SS**  trans-71.7107.1169.3-60.2174.7000107.3W266 K270W266-I268 PolarHBondContact O-N 3.23Å; W266-I268 VanDerWaalsContact O-N 3.1Å; I268-K270 PolarHBondContact O-N 3.28Å
269K45.8Very low47.6Very low177 Ų177150.5 Ų150.577%0.7783%0.827SS**  trans-81.9111.7172.9-73.3-175.6179.3178.30109.9I267I267-K269 HydrophobicContact CG2-CG 4.2Å; I267-K269 PolarHBondContact O-N 3.32Å
270K47.4Very low47.4Very low187 Ų187147.3 Ų147.381%0.81383%0.831SS**  trans77.8123.9150.9-55.3-170178.4-171.20119.1I268I268-K270 PolarHBondContact O-N 3.28Å
271A46.1Very low47.4Very low97 Ų97148.3 Ų148.380%0.80284%0.839SS**  trans-117.6110.3135.700000107.3V273A271-V273 PolarHBondContact O-N 3.23Å
272T47.5Very low47.1Very low118 Ų118152.4 Ų152.472%0.72483%0.832SS**  trans-66.2117.1168.2-15.20000107.2
273V39.8Very low46.8Very low129 Ų129147.6 Ų147.678%0.78283%0.834SS**  trans-87.9111.9165176.90000106.7A271A271-V273 PolarHBondContact O-N 3.23Å
274I41.7Very low46.3Very low166 Ų166152.9 Ų152.985%0.85185%0.845SS**  trans-105123.4158.1-64.8169.7000104.1
275G37.1Very low45.8Very low139 Ų139156.7 Ų156.7100%1.43386%0.857SS**  trans1420179.200000111.6

Retrieved 275 of 275 residues in 1150.8 ms (Link to these results)