A0A077Z2V4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2V4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 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
1M35.7Very low41.7Very low234 Ų234158.6 Ų158.6100%1.15383%0.826SS**  0107.60-73.7-166.1173.900108.1T3M1-T3 PolarHBondContact O-N 3.1Å
2N39.4Very low41.7Very low162 Ų162161.5 Ų161.587%0.86683%0.828SS**  trans-94.790.3-176.9-80.3-9.4000109.8N4N2-N4 PolarHBondContact O-N 2.92Å; N2-N4 VanDerWaalsContact O-N 3.16Å
3T47.2Very low41.1Very low119 Ų119155.5 Ų155.573%0.7383%0.83SS**  trans-8292.2170.644.10000108.7M1 T5M1-T3 PolarHBondContact O-N 3.1Å; T3-T5 PolarHBondContact O-N 2.79Å
4N42.5Very low41Very low148 Ų148156.3 Ų156.379%0.79183%0.827SS**  trans-49.891.9159.4-81.5-37.3000108.6N2 I6N2-N4 PolarHBondContact O-N 2.92Å; N2-N4 VanDerWaalsContact O-N 3.16Å; N4-I6 VanDerWaalsContact C-N 3.26Å; N4-I6 PolarHBondContact O-N 2.72Å
5T42.7Very low41.1Very low127 Ų127157.3 Ų157.378%0.77983%0.825SS**  trans-72.294.2170.232.70000106.5T3 K7T3-T5 PolarHBondContact O-N 2.79Å; T5-K7 PolarHBondContact O-N 2.96Å
6I41.4Very low41.5Very low145 Ų145156.6 Ų156.674%0.74482%0.822SS**  trans-40.8110.6170-69.2158.1000108.1N4 K8N4-I6 VanDerWaalsContact C-N 3.26Å; N4-I6 PolarHBondContact O-N 2.72Å; I6-K8 VanDerWaalsContact C-N 3.26Å; I6-K8 PolarHBondContact O-N 3.33Å
7K42.3Very low42Very low198 Ų198155.6 Ų155.686%0.86182%0.818SS**  trans-55.989.1171-65177.9178.4179.40108.2T5 K9T5-K7 PolarHBondContact O-N 2.96Å; K7-K9 VanDerWaalsContact C-N 3.26Å; K7-K9 PolarHBondContact O-N 3.03Å
8K42.3Very low42.3Very low180 Ų180155.8 Ų155.878%0.78382%0.819SS**  trans-6893.5165.8-78.9-174.1177.4179.20107I6 N10I6-K8 VanDerWaalsContact C-N 3.26Å; I6-K8 PolarHBondContact O-N 3.33Å; K8-N10 PolarHBondContact O-N 2.8Å
9K39.4Very low42.9Very low200 Ų200154.7 Ų154.787%0.8781%0.812SS**  trans-58.985.2163-73.2176.7173.7178.90107.6K7 A11K7-K9 VanDerWaalsContact C-N 3.26Å; K7-K9 PolarHBondContact O-N 3.03Å; K9-A11 PolarHBondContact O-N 2.94Å
10N43.3Very low43.4Very low138 Ų138152.3 Ų152.374%0.73880%0.8SS**  trans-71.7112.6166.4-79.7-7.4000107.2K8 F12K8-N10 PolarHBondContact O-N 2.8Å; N10-F12 PolarHBondContact O-N 3.3Å
11A42.6Very low44Very low94 Ų94151.9 Ų151.978%0.77780%0.798SS**  trans-73.634.7-174.100000114K9K9-A11 PolarHBondContact O-N 2.94Å
12F41.1Very low44.9Very low193 Ų193145.9 Ų145.985%0.84677%0.774SS**  trans-11482.6173.2-75.9-79.5000108.7N10 Q14N10-F12 PolarHBondContact O-N 3.3Å; F12-Q14 PolarHBondContact O-N 2.86Å
13G34.3Very low45.4Very low83 Ų83144.3 Ų144.386%0.85677%0.766SS**  trans-72.257.7172.500000112.6
14Q40Very low45.2Very low167 Ų167142.9 Ų142.978%0.7876%0.761SS**  trans-114.188.8155.5-83-172.2-15.400106F12 D16F12-Q14 PolarHBondContact O-N 2.86Å; Q14-D16 PolarHBondContact O-N 2.99Å; Q14-D16 VanDerWaalsContact O-N 3.13Å
15Q42.5Very low45.3Very low172 Ų172141.7 Ų141.780%0.80476%0.761SS**  trans-63.3109.8157.9-70.3-167.6-29.400105D17Q15-D17 PolarHBondContact O-N 3.06Å
16D47.6Very low45.5Very low146 Ų146139 Ų13978%0.78175%0.752SS**  trans-58.497.7160.5-71-46.4000105.3Q14 L18Q14-D16 PolarHBondContact O-N 2.99Å; Q14-D16 VanDerWaalsContact O-N 3.13Å; D16-L18 PolarHBondContact O-N 3.33Å
17D49Very low45.4Very low139 Ų139137.8 Ų137.874%0.74376%0.755SS**  trans-60.876.8165.5-75.3-27.6000106.6Q15 I19Q15-D17 PolarHBondContact O-N 3.06Å; D17-I19 PolarHBondContact O-N 2.81Å
18L47.3Very low45.6Very low159 Ų159135.6 Ų135.683%0.83275%0.752SS**  trans-6693.6169-164.378.8000104.4D16 D20D16-L18 PolarHBondContact O-N 3.33Å; L18-D20 PolarHBondContact O-N 2.92Å
19I53.5Low45.7Very low136 Ų136132.3 Ų132.370%0.69775%0.749SS**  trans-54108.9178.1-60172.2000106.6D17 L21D17-I19 PolarHBondContact O-N 2.81Å; I19-L21 VanDerWaalsContact C-N 3.28Å; I19-L21 HydrophobicContact CG2-CD2 3.86Å; I19-L21 HydrophobicContact CG2-CG 4.29Å; I19-L21 PolarHBondContact O-N 3.08Å
20D54.8Low45.8Very low105 Ų105128.7 Ų128.756%0.56175%0.747SS**  trans-72.287.9179.9-157.5-7.6000108L18 T22L18-D20 PolarHBondContact O-N 2.92Å; D20-T22 PolarHBondContact O-N 2.9Å; D20-T22 PolarHBondContact OD1-OG1 2.91Å
21L54.6Low45.8Very low145 Ų145129.9 Ų129.976%0.75975%0.753SS**G310 helixtrans-69.30.6-176.3-69.8173.5000113I19 N23I19-L21 VanDerWaalsContact C-N 3.28Å; I19-L21 HydrophobicContact CG2-CD2 3.86Å; I19-L21 HydrophobicContact CG2-CG 4.29Å; I19-L21 PolarHBondContact O-N 3.08Å; L21-N23 VanDerWaalsContact C-N 3.33Å
22T55.3Low45.7Very low108 Ų108129 Ų12966%0.66375%0.745SS**G310 helixtrans-76.7-20.6-179.759.90000112.9D20D20-T22 PolarHBondContact O-N 2.9Å; D20-T22 PolarHBondContact OD1-OG1 2.91Å
23N49.2Very low45.8Very low129 Ų129125.4 Ų125.469%0.6974%0.744SS**G310 helixtrans-108.725.9-173.3-66.7-37.9000114.6L21 P25L21-N23 VanDerWaalsContact C-N 3.33Å; N23-P25 WeakPolarHBondContact O-CD 3.13Å
24S43Very low46Very low88 Ų88126.4 Ų126.462%0.61574%0.738SS**  trans-94.4103173.9-171.40000111.2A26S24-A26 PolarHBondContact O-N 2.73Å
25P44.9Very low46Very low123 Ų123124.6 Ų124.680%0.79974%0.738SS**  trans-80.757.6172.637.1-36000109.2N23 C27N23-P25 WeakPolarHBondContact O-CD 3.13Å; P25-C27 VanDerWaalsContact C-N 3.3Å; P25-C27 PolarHBondContact O-N 2.67Å
26A46.3Very low46Very low71 Ų71122.3 Ų122.359%0.58774%0.739SS**  trans-91.379.3163.800000106.6S24 L28S24-A26 PolarHBondContact O-N 2.73Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 2.96Å
27C39.7Very low45.7Very low120 Ų120119.6 Ų119.681%0.81174%0.737SS**  trans-50101.3165.8-71.60000107.7P25P25-C27 VanDerWaalsContact C-N 3.3Å; P25-C27 PolarHBondContact O-N 2.67Å
28L47.9Very low45.4Very low152 Ų152118.4 Ų118.480%0.79674%0.739SS**  trans-57.8127.7165.6-68.2174.4000105.6A26 C30A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 2.96Å; L28-C30 PolarHBondContact O-N 2.74Å
29P44.2Very low45.3Very low110 Ų110118.1 Ų118.171%0.71474%0.738SS**  trans-54.5118.1176.920-29.5000107.1L31P29-L31 VanDerWaalsContact C-N 3.28Å; P29-L31 PolarHBondContact O-N 2.96Å
30C41.3Very low44.9Very low124 Ų124117.1 Ų117.184%0.83874%0.74SS**  trans-51.7103.6165.7-84.60000105.6L28 A32L28-C30 PolarHBondContact O-N 2.74Å; C30-A32 PolarHBondContact O-N 2.75Å
31L43.7Very low44.5Very low164 Ų164121.8 Ų121.886%0.85976%0.755SS**  trans-67.478.2165.1-75.4166.2000105.1P29 S33P29-L31 VanDerWaalsContact C-N 3.28Å; P29-L31 PolarHBondContact O-N 2.96Å; L31-S33 PolarHBondContact O-N 3.47Å
32A40.7Very low44Very low75 Ų75125.4 Ų125.462%0.6276%0.759SS**  trans-54.9107.416600000105.6C30 S34C30-A32 PolarHBondContact O-N 2.75Å; A32-S34 VanDerWaalsContact C-N 3.3Å; A32-S34 PolarHBondContact O-N 3.13Å
33S42.3Very low43.6Very low117 Ų117125.3 Ų125.382%0.81876%0.758SS**  trans16.269.814758.90000114.4L31L31-S33 PolarHBondContact O-N 3.47Å
34S38.5Very low43.3Very low104 Ų104125.9 Ų125.973%0.72776%0.76SS**  trans-89.6122.2162.346.30000106.4A32A32-S34 VanDerWaalsContact C-N 3.3Å; A32-S34 PolarHBondContact O-N 3.13Å
35T40.4Very low43.5Very low129 Ų129128.3 Ų128.379%0.79177%0.766SS**  trans-36.5135-177.2-22.20000111.7A37T35-A37 PolarHBondContact O-N 3.47Å
36P42.8Very low43.5Very low125 Ų125127.3 Ų127.381%0.81275%0.754SS**  trans-54.5111-176.321-32.8000110.2S38P36-S38 PolarHBondContact O-N 2.7Å; P36-S38 VanDerWaalsContact O-N 3.1Å
37A41.3Very low43.5Very low89 Ų89130.4 Ų130.474%0.73676%0.756SS**PPolyproline II helixtrans-55.1119.617100000107.6T35 L39T35-A37 PolarHBondContact O-N 3.47Å; A37-L39 PolarHBondContact O-N 3.11Å
38S41.7Very low43.6Very low113 Ų113130 Ų13079%0.7975%0.75SS**PPolyproline II helixtrans-51.2116.9-179.664.40000108.9P36P36-S38 PolarHBondContact O-N 2.7Å; P36-S38 VanDerWaalsContact O-N 3.1Å
39L45.3Very low43.7Very low154 Ų154129 Ų12981%0.80674%0.744SS**PPolyproline II helixtrans-55.9129.6-179.6-71.6165.6000109A37 K41A37-L39 PolarHBondContact O-N 3.11Å; L39-K41 PolarHBondContact O-N 3.14Å
40P45Very low43.7Very low115 Ų115132.7 Ų132.775%0.74775%0.749SS**PPolyproline II helixtrans-58.8133.3176.523.4-31000108.9R42P40-R42 PolarHBondContact O-N 3.47Å
41K46.5Very low43.9Very low203 Ų203134.8 Ų134.888%0.88375%0.747SS**  trans-38.6115.9176.9-78.4172.3175.6174.30109.6L39 T43L39-K41 PolarHBondContact O-N 3.14Å; K41-T43 PolarHBondContact O-N 2.78Å
42R44.8Very low43.7Very low221 Ų221130.7 Ų130.783%0.83473%0.732SS**  trans-46.4111178.7-71.8176.5166.9148-3.3109.2P40P40-R42 PolarHBondContact O-N 3.47Å
43T45.3Very low43.8Very low105 Ų105132.9 Ų132.964%0.64474%0.739SS**  trans-63.1139.3168.9460000108.4K41 L45 D46K41-T43 PolarHBondContact O-N 2.78Å; T43-L45 PolarHBondContact O-N 3.22Å; T43-D46 PolarHBondContact O-N 3.32Å
44L44.3Very low43.9Very low142 Ų142135.3 Ų135.374%0.74374%0.738SS**G310 helixtrans-42.2-8.8-177.7-93.6154.4000118D46L44-D46 VanDerWaalsContact C-N 3.34Å; L44-D46 PolarHBondContact O-N 3.43Å
45L47.6Very low44.1Very low138 Ų138137.7 Ų137.772%0.72374%0.742SS**G310 helixtrans-76.2-15.3-177.6-70.9171.6000114.5T43T43-L45 PolarHBondContact O-N 3.22Å
46D44.8Very low44.3Very low103 Ų103138 Ų13855%0.55174%0.737SS**G310 helixtrans-87.1-11.8-179.9-80.1-11.4000114.2T43 L44T43-D46 PolarHBondContact O-N 3.32Å; L44-D46 VanDerWaalsContact C-N 3.34Å; L44-D46 PolarHBondContact O-N 3.43Å
47Q45.4Very low44.2Very low135 Ų135138.4 Ų138.463%0.63174%0.737SS**THydrogen-bonded Turntrans-78.2-20.9-177.6-77.5-178.2-20.200113.7I49Q47-I49 PolarHBondContact O-N 3.31Å
48T41.9Very low44.1Very low112 Ų112140.8 Ų140.869%0.68774%0.735SS**THydrogen-bonded Turntrans-83.4-10.5-174.9570000114.5
49I49Very low44Very low130 Ų130139.2 Ų139.267%0.66772%0.722SS**THydrogen-bonded Turntrans-92-21.2-176.9-56.5179000112Q47Q47-I49 PolarHBondContact O-N 3.31Å
50F45Very low44Very low189 Ų189143.5 Ų143.583%0.82973%0.728SS**THydrogen-bonded Turntrans-100-11.8-173-97.4-82.6000116.1
51E46Very low44Very low168 Ų168146.7 Ų146.779%0.78573%0.73SS**SBendtrans-102.711-173.5-72.5-170.2173.300115.8P53E51-P53 VanDerWaalsContact C-CD 3.47Å; E51-P53 WeakPolarHBondContact O-CD 2.96Å
52S39.4Very low43.9Very low77 Ų77146.2 Ų146.254%0.53872%0.724SS.*  trans-99.391.8167.768.50000110.8Q54S52-Q54 PolarHBondContact O-N 3.45Å
53P43.6Very low44Very low121 Ų121141.5 Ų141.579%0.78672%0.719SS**  trans-69.710.6168.630.5-34.5000112.6E51 L55E51-P53 VanDerWaalsContact C-CD 3.47Å; E51-P53 WeakPolarHBondContact O-CD 2.96Å; P53-L55 PolarHBondContact O-N 3.27Å
54Q43.9Very low43.9Very low168 Ų168142.2 Ų142.279%0.78572%0.719SS**  trans-71.954.2158.9-61.8-177.3300109.8S52 I56S52-Q54 PolarHBondContact O-N 3.45Å; Q54-I56 PolarHBondContact O-N 3.06Å
55L43Very low44Very low154 Ų154142.4 Ų142.481%0.80672%0.718SS**  trans-6096.9151.5-79.6168.7000104.7P53 T57P53-L55 PolarHBondContact O-N 3.27Å; L55-T57 PolarHBondContact O-N 2.9Å
56I43.4Very low44.3Very low136 Ų136139.8 Ų139.870%0.69771%0.711SS**  trans-43.6104.4172.8-63.7164.5000106Q54 M58Q54-I56 PolarHBondContact O-N 3.06Å; I56-M58 HydrophobicContact CG2-SD 4.2Å; I56-M58 PolarHBondContact O-N 2.87Å
57T41.5Very low44.4Very low133 Ų133140.2 Ų140.282%0.81671%0.714SS**  trans-58.796.5169.8-58.50000105.5L55 P59L55-T57 PolarHBondContact O-N 2.9Å; T57-P59 WeakPolarHBondContact O-CD 3.42Å; T57-P59 VanDerWaalsContact O-N 3.12Å
58M38.2Very low44.6Very low140 Ų140139 Ų13969%0.6971%0.711SS**  trans-58.2119.1-179-67.5-66.9-72.200107I56 R60I56-M58 HydrophobicContact CG2-SD 4.2Å; I56-M58 PolarHBondContact O-N 2.87Å; M58-R60 PolarHBondContact O-N 2.77Å; M58-R60 VanDerWaalsContact O-N 3.12Å
59P40.8Very low45Very low80 Ų80140.8 Ų140.852%0.51972%0.717SS.*  trans-59.4123.7178.921-29.3000108.5T57 K61T57-P59 WeakPolarHBondContact O-CD 3.42Å; T57-P59 VanDerWaalsContact O-N 3.12Å; P59-K61 PolarHBondContact O-N 3.43Å
60R44.5Very low44.8Very low243 Ų243142 Ų14292%0.91772%0.717SS**SBendtrans-63.334.4178.5-82.3-179.3168.5168.7-3114.1M58M58-R60 PolarHBondContact O-N 2.77Å; M58-R60 VanDerWaalsContact O-N 3.12Å
61K46Very low45.1Very low183 Ų183135.9 Ų135.980%0.79670%0.697SS**  trans-101.58.2-174.1-69.9-159.8174.8-170.90115.1P59P59-K61 PolarHBondContact O-N 3.43Å
62Y44.5Very low45.2Very low193 Ų193135.2 Ų135.276%0.75770%0.699SS**  trans-108.333.1179.3-58.8-70.4000113.8D64Y62-D64 VanDerWaalsContact C-N 3.33Å
63T46Very low45.6Very low121 Ų121139.7 Ų139.774%0.74271%0.712SS**  trans-82.3-12.3173.5-42.90000112.5M65T63-M65 PolarHBondContact O-N 3.5Å
64D42.9Very low46.1Very low120 Ų120141.8 Ų141.864%0.64271%0.711SS**  trans-90.191.2175.4-76.8-26.9000111Y62 S66Y62-D64 VanDerWaalsContact C-N 3.33Å; D64-S66 PolarHBondContact O-N 3.31Å; D64-S66 VanDerWaalsContact O-N 3.14Å
65M47.3Very low46.6Very low146 Ų146137.1 Ų137.172%0.71971%0.708SS**G310 helixtrans-67.2-0.6170.9-67-77.1-82.500112.8T63 D67 L68T63-M65 PolarHBondContact O-N 3.5Å; M65-D67 VanDerWaalsContact C-N 3.32Å; M65-L68 HydrophobicContact CE-CD1 4.04Å; M65-L68 HydrophobicContact SD-CD1 3.77Å
66S54.1Low47.3Very low83 Ų83136.8 Ų136.858%0.5871%0.706SS**G310 helixtrans-74-18.217846.90000114D64D64-S66 PolarHBondContact O-N 3.31Å; D64-S66 VanDerWaalsContact O-N 3.14Å
67D47.1Very low48Very low112 Ų112136.1 Ų136.160%0.59970%0.704SS**G310 helixtrans-86.3-7.3-179.3-70.6-23.5000113.9M65 D69 K70M65-D67 VanDerWaalsContact C-N 3.32Å; D67-D69 PolarHBondContact O-N 3.15Å; D67-K70 PolarHBondContact O-N 3.47Å
68L49.5Very low48.9Very low109 Ų109132.2 Ų132.257%0.57168%0.682SS**G310 helixtrans-66.4-23.4178.6-89.9155.6000113.3M65 K70 S71M65-L68 HydrophobicContact CE-CD1 4.04Å; M65-L68 HydrophobicContact SD-CD1 3.77Å; L68-K70 PolarHBondContact O-N 2.94Å; L68-S71 PolarHBondContact O-N 3.46Å; L68-S71 PolarHBondContact O-OG 3.36Å
69D50.1Low50Low151 Ų151131.7 Ų131.781%0.80769%0.687SS**G310 helixtrans-79.5-2.8-177.3-148.825.5000113.7D67D67-D69 PolarHBondContact O-N 3.15Å
70K45.3Very low51Low156 Ų156130.8 Ų130.868%0.67868%0.682SS**G310 helixtrans-100.4-5.9173.9-66.4-172.6-178.1175.20114.2D67 L68 D72 Q73D67-K70 PolarHBondContact O-N 3.47Å; L68-K70 PolarHBondContact O-N 2.94Å; K70-D72 VanDerWaalsContact C-N 3.25Å; K70-D72 PolarHBondContact O-N 2.84Å; K70-Q73 PolarHBondContact O-N 3.37Å
71S49.5Very low51.8Low59 Ų59122.1 Ų122.141%0.41365%0.654SS.*THydrogen-bonded Turntrans-70.6-16.3-173.761.90000114.7L68 Q73 E74L68-S71 PolarHBondContact O-N 3.46Å; L68-S71 PolarHBondContact O-OG 3.36Å; S71-Q73 PolarHBondContact O-N 2.84Å; S71-E74 PolarHBondContact O-N 3.01Å
72D49.3Very low52.2Low154 Ų154120.7 Ų120.782%0.82465%0.648SS**THydrogen-bonded Turntrans-70.8-14.2178.4-82.1-5.6000113.7K70K70-D72 VanDerWaalsContact C-N 3.25Å; K70-D72 PolarHBondContact O-N 2.84Å
73Q48.3Very low52.9Low172 Ų172118 Ų11880%0.80464%0.642SS**THydrogen-bonded Turntrans-97.5-16.3172.8-75.8-158.8-7.600114.8K70 S71 G75K70-Q73 PolarHBondContact O-N 3.37Å; S71-Q73 PolarHBondContact O-N 2.84Å; Q73-G75 VanDerWaalsContact C-N 3.31Å; Q73-G75 PolarHBondContact O-N 2.97Å
74E53.6Low53.6Low164 Ų164121.2 Ų121.277%0.76664%0.641SS**THydrogen-bonded Turntrans-83.8-6.5-178.7-64-171.1174.200113.4S71 L76S71-E74 PolarHBondContact O-N 3.01Å; E74-L76 PolarHBondContact O-N 2.84Å
75G54.2Low54.2Low71 Ų71120.1 Ų120.173%0.73263%0.634SS**THydrogen-bonded Turntrans-72.8-5.4176.200000115Q73Q73-G75 VanDerWaalsContact C-N 3.31Å; Q73-G75 PolarHBondContact O-N 2.97Å
76L58.1Low54.7Low146 Ų146116.2 Ų116.276%0.76462%0.622SS**SBendtrans-91.9115174.2-62.6177.3000108.7E74 S78E74-L76 PolarHBondContact O-N 2.84Å; L76-S78 PolarHBondContact O-N 3.36Å; L76-S78 VanDerWaalsContact O-N 3.15Å
77L57.5Low54.7Low123 Ų123118.8 Ų118.864%0.64463%0.629SS**  trans-45.1123.2169-78.4161.8000108.7D81L77-D81 HydrophobicContact CB-CB 4.42Å; L77-D81 HydrophobicContact CD2-CB 3.8Å
78S60.4Low55Low50 Ų50119.8 Ų119.835%0.3563%0.633SS.*  trans-63.9153.7177.470.70000109L76 S80 D81 F82L76-S78 PolarHBondContact O-N 3.36Å; L76-S78 VanDerWaalsContact O-N 3.15Å; S78-S80 PolarHBondContact O-N 3.49Å; S78-S80 VanDerWaalsContact O-N 3.12Å; S78-S80 PolarHBondContact OG-OG 3.26Å; S78-D81 PolarHBondContact N-OD2 3.45Å; S78-D81 VanDerWaalsContact N-OD2 3.09Å; S78-D81 WeakPolarHBondContact O-CB 3.39Å; S78-D81 PolarHBondContact O-N 3.36Å; S78-D81 PolarHBondContact OG-N 2.91Å; S78-D81 PolarHBondContact OG-OD2 3.19Å; S78-F82 PolarHBondContact O-N 3.11Å
79T60.3Low54.9Low130 Ų130117.9 Ų117.980%0.79863%0.633SS**Hα-helixtrans-58.2-27.1178.449.10000112.2F82 E83T79-F82 WeakPolarHBondContact O-CB 3.5Å; T79-F82 PolarHBondContact O-N 3.24Å; T79-E83 PolarHBondContact O-N 3.26Å
80S61.8Low54.9Low60 Ų60117.3 Ų117.342%0.4263%0.629SS.*Hα-helixtrans-74.3-30175.1620000113.2S78 F82 E83 R84S78-S80 PolarHBondContact O-N 3.49Å; S78-S80 VanDerWaalsContact O-N 3.12Å; S78-S80 PolarHBondContact OG-OG 3.26Å; S80-F82 VanDerWaalsContact C-N 3.27Å; S80-F82 PolarHBondContact O-N 3.32Å; S80-E83 PolarHBondContact O-N 3.37Å; S80-R84 WeakPolarHBondContact O-CG 3.29Å; S80-R84 PolarHBondContact O-N 3.28Å
81D61.5Low54.9Low61 Ų61114.7 Ų114.733%0.32663%0.63SS.*Hα-helixtrans-65.6-35.3170.9-63.1-47.6000110.9L77 S78 R84 L85L77-D81 HydrophobicContact CB-CB 4.42Å; L77-D81 HydrophobicContact CD2-CB 3.8Å; S78-D81 PolarHBondContact N-OD2 3.45Å; S78-D81 VanDerWaalsContact N-OD2 3.09Å; S78-D81 WeakPolarHBondContact O-CB 3.39Å; S78-D81 PolarHBondContact O-N 3.36Å; S78-D81 PolarHBondContact OG-N 2.91Å; S78-D81 PolarHBondContact OG-OD2 3.19Å; D81-R84 PolarHBondContact O-N 2.85Å; D81-L85 WeakPolarHBondContact O-CB 3.32Å; D81-L85 VanDerWaalsContact O-CG 3.3Å; D81-L85 WeakPolarHBondContact O-CG 3.11Å; D81-L85 PolarHBondContact O-N 2.69Å
82F54.9Low54.7Low153 Ų153118.5 Ų118.567%0.67165%0.645SS**Hα-helixtrans-64.7-42175.9-158.2-89000112S78 T79 S80 L85 S86S78-F82 PolarHBondContact O-N 3.11Å; T79-F82 WeakPolarHBondContact O-CB 3.5Å; T79-F82 PolarHBondContact O-N 3.24Å; S80-F82 VanDerWaalsContact C-N 3.27Å; S80-F82 PolarHBondContact O-N 3.32Å; F82-L85 PolarHBondContact O-N 3.13Å; F82-S86 PolarHBondContact O-N 2.77Å
83E59.4Low54.5Low137 Ų137116.9 Ų116.964%0.6464%0.636SS**Hα-helixtrans-66.1-38.6173.5-77-175.6164.900112.5T79 S80 L85 S86 N87T79-E83 PolarHBondContact O-N 3.26Å; S80-E83 PolarHBondContact O-N 3.37Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.42Å; E83-S86 WeakPolarHBondContact CA-OG 3.44Å; E83-S86 PolarHBondContact O-N 2.79Å; E83-S86 PolarHBondContact O-OG 2.94Å; E83-N87 PolarHBondContact O-N 2.91Å
84R60.1Low54.4Low188 Ų188113.6 Ų113.671%0.70963%0.633SS**Hα-helixtrans-62.9-40.1174.7-76.1179.6172.3-144-1.8112S80 D81S80-R84 WeakPolarHBondContact O-CG 3.29Å; S80-R84 PolarHBondContact O-N 3.28Å; D81-R84 PolarHBondContact O-N 2.85Å
85L56.1Low54.1Low97 Ų97113.7 Ų113.751%0.50864%0.638SS.*Hα-helixtrans-75.8-27.8178.7-68.5176.2000112.8D81 F82 E83 N87 I88D81-L85 WeakPolarHBondContact O-CB 3.32Å; D81-L85 VanDerWaalsContact O-CG 3.3Å; D81-L85 WeakPolarHBondContact O-CG 3.11Å; D81-L85 PolarHBondContact O-N 2.69Å; F82-L85 PolarHBondContact O-N 3.13Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.42Å; L85-N87 PolarHBondContact O-N 2.96Å; L85-I88 HydrophobicContact CD2-CD1 3.91Å; L85-I88 PolarHBondContact O-N 2.71Å
86S57.6Low53.6Low65 Ų65115.5 Ų115.546%0.45564%0.637SS.*Hα-helixtrans-66-28.3175.964.60000112.6F82 E83 I88F82-S86 PolarHBondContact O-N 2.77Å; E83-S86 WeakPolarHBondContact CA-OG 3.44Å; E83-S86 PolarHBondContact O-N 2.79Å; E83-S86 PolarHBondContact O-OG 2.94Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.83Å
87N54Low53.1Low137 Ų137113.8 Ų113.873%0.73364%0.636SS**THydrogen-bonded Turntrans-81.3-5.4177.4-77.41.6000114.3E83 L85E83-N87 PolarHBondContact O-N 2.91Å; L85-N87 PolarHBondContact O-N 2.96Å
88I53.4Low52.4Low132 Ų132115.3 Ų115.368%0.67765%0.645SS**THydrogen-bonded Turntrans-86.5-16.2175.5-57.4176000111L85 S86 L90L85-I88 HydrophobicContact CD2-CD1 3.91Å; L85-I88 PolarHBondContact O-N 2.71Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.83Å; I88-L90 PolarHBondContact O-N 2.77Å
89A48.4Very low51.6Low70 Ų70120.9 Ų120.958%0.57967%0.668SS**THydrogen-bonded Turntrans-84.1114172.900000109.4
90L49.5Very low50.7Low139 Ų139117.2 Ų117.273%0.72866%0.656SS**THydrogen-bonded Turntrans84.750.5168.5-44.1170.1000116.4I88 D92I88-L90 PolarHBondContact O-N 2.77Å; L90-D92 PolarHBondContact O-N 3.16Å
91C44.8Very low49.9Very low101 Ų101121.8 Ų121.868%0.68267%0.674SS**  trans-7178.3134-86.90000107.2D93C91-D93 PolarHBondContact O-N 3.21Å; C91-D93 PolarHBondContact SG-OD2 3.25Å; C91-D93 VanDerWaalsContact SG-OD2 3.35Å
92D45.2Very low49Very low138 Ų138125.1 Ų125.174%0.73870%0.696SS**  trans-71.537.6160.3-83-29.9000109.9L90 S94L90-D92 PolarHBondContact O-N 3.16Å; D92-S94 PolarHBondContact O-N 3.02Å
93D46.3Very low48.7Very low120 Ų120122.5 Ų122.564%0.64270%0.695SS**  trans-77113.8177.5-71.9-38.9000107.6C91C91-D93 PolarHBondContact O-N 3.21Å; C91-D93 PolarHBondContact SG-OD2 3.25Å; C91-D93 VanDerWaalsContact SG-OD2 3.35Å
94S45.8Very low48.1Very low104 Ų104121 Ų12173%0.72770%0.697SS**  trans71.553.5153.268.20000116.9D92 P96D92-S94 PolarHBondContact O-N 3.02Å; S94-P96 VanDerWaalsContact O-CD 3.29Å; S94-P96 WeakPolarHBondContact O-CD 3.35Å
95L46.8Very low47.7Very low166 Ų166117.6 Ų117.687%0.86970%0.699SS**  trans-67116138.6-72.7179000106.5S97L95-S97 PolarHBondContact O-N 3.48Å
96P43.9Very low47.5Very low109 Ų109118.3 Ų118.371%0.70871%0.71SS**  trans-56.7120.4-179.822.5-31.6000107.4S94 N98S94-P96 VanDerWaalsContact O-CD 3.29Å; S94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-N98 PolarHBondContact O-N 3.38Å
97S47Very low47Very low109 Ų109120 Ų12076%0.76272%0.719SS**  trans-66.161.3172.348.30000109.8L95 M99L95-S97 PolarHBondContact O-N 3.48Å; S97-M99 PolarHBondContact O-N 3.45Å
98N42.6Very low46.4Very low156 Ų156119.9 Ų119.983%0.83473%0.726SS**  trans-75.246.5154.5-114.8-16.1000108.2P96 G100P96-N98 PolarHBondContact O-N 3.38Å; N98-G100 PolarHBondContact O-N 3.48Å
99M44.9Very low45.9Very low166 Ų166119.7 Ų119.782%0.81873%0.731SS**  trans-69.686.3150.6-70.3-137-61.100103.9S97 I101S97-M99 PolarHBondContact O-N 3.45Å; M99-I101 PolarHBondContact O-N 3.1Å
100G39.8Very low45.4Very low54 Ų54122.1 Ų122.156%0.55774%0.738SS**  trans-45116.416600000106.1N98 V102N98-G100 PolarHBondContact O-N 3.48Å; G100-V102 VanDerWaalsContact C-N 3.28Å; G100-V102 PolarHBondContact O-N 3.01Å
101I45.3Very low44.8Very low156 Ų156121.7 Ų121.780%0.874%0.741SS**  trans-51.2103.8172-64.7165.3000104.1M99 P103M99-I101 PolarHBondContact O-N 3.1Å; I101-P103 WeakPolarHBondContact O-CD 3.47Å
102V43.4Very low44.5Very low130 Ų130123.1 Ų123.179%0.78875%0.746SS**  trans-64.2110.3170.4177.50000103G100G100-V102 VanDerWaalsContact C-N 3.28Å; G100-V102 PolarHBondContact O-N 3.01Å
103P48.1Very low44Very low98 Ų98122.2 Ų122.264%0.63675%0.751SS**PPolyproline II helixtrans-58134.8-179.623.1-30.7000107.2I101I101-P103 WeakPolarHBondContact O-CD 3.47Å
104P48Very low43.7Very low106 Ų106120 Ų12069%0.68875%0.745SS**PPolyproline II helixtrans-53.5144177.322.4-31.9000109
105P51.2Low43.4Very low117 Ų117123.3 Ų123.376%0.7675%0.751SS**PPolyproline II helixtrans-54.5129.9-177.322.8-32.5000108.8
106P50.6Low43Very low111 Ų111125.7 Ų125.772%0.72176%0.755SS**PPolyproline II helixtrans-58.2145.9177.723.3-31.6000109.4
107P47.9Very low42.8Very low102 Ų102132 Ų13266%0.66276%0.764SS**PPolyproline II helixtrans-56.2150.3177.224.1-33000110V109P107-V109 VanDerWaalsContact C-N 3.31Å; P107-V109 WeakPolarHBondContact O-CG2 3.32Å; P107-V109 PolarHBondContact O-N 3.07Å
108P42.5Very low42.9Very low134 Ų134136 Ų13687%0.8777%0.768SS**  trans-66.390.1-178.127.5-33.8000109.6T110P108-T110 PolarHBondContact O-N 3.2Å
109V41.1Very low43.1Very low128 Ų128134.1 Ų134.178%0.77677%0.765SS**  trans-83.8112.3169.4-122.10000107.7P107 V111P107-V109 VanDerWaalsContact C-N 3.31Å; P107-V109 WeakPolarHBondContact O-CG2 3.32Å; P107-V109 PolarHBondContact O-N 3.07Å; V109-V111 PolarHBondContact O-N 2.91Å
110T38.1Very low43.1Very low120 Ų120133 Ų13374%0.73677%0.767SS**  trans-45119.6170250000112.2P108P108-T110 PolarHBondContact O-N 3.2Å
111V37.4Very low43.4Very low130 Ų130141.7 Ų141.779%0.78878%0.783SS**  trans40.194.6145.9-127.50000117.1V109V109-V111 PolarHBondContact O-N 2.91Å
112V38.9Very low43.2Very low131 Ų131137.1 Ų137.179%0.79477%0.774SS**  trans-134.691.1142.7-172.40000108.2S114V112-S114 PolarHBondContact O-N 3Å; V112-S114 VanDerWaalsContact O-N 3.11Å
113S34.7Very low43.4Very low120 Ų120139.1 Ų139.184%0.83978%0.775SS**  trans-7291.7167.31760000108.4
114S40.6Very low43.5Very low74 Ų74143.2 Ų143.252%0.51778%0.782SS.*  trans-172.1129.3150.445.40000111.4V112V112-S114 PolarHBondContact O-N 3Å; V112-S114 VanDerWaalsContact O-N 3.11Å
115M38.4Very low43.5Very low173 Ų173147 Ų14785%0.85279%0.788SS**  trans66.569.8150.9-61-168.9-96.900118.3
116F38.3Very low43.4Very low216 Ų216152 Ų15295%0.94779%0.792SS**  trans-111.7113.8151.5-94-89.6000111.6
117R41.1Very low43.2Very low240 Ų240156 Ų15691%0.90680%0.798SS**  trans-51.8139.8-177.9-71.2176.7168.7-172.4-3.5111.9
118K48.3Very low43.1Very low194 Ų194156.2 Ų156.284%0.84380%0.802SS**  trans-52.1127.5169.4-77.5177.4178.2174.10109.4V120K118-V120 PolarHBondContact O-N 3.16Å; K118-V120 VanDerWaalsContact O-N 3.08Å
119P47.1Very low43.5Very low117 Ų117157.9 Ų157.976%0.7680%0.802SS**  trans-66.6112.8174.924.9-30.4000109R121P119-R121 VanDerWaalsContact C-N 3.26Å; P119-R121 PolarHBondContact O-N 2.77Å
120V44Very low43.6Very low143 Ų143154.6 Ų154.687%0.86780%0.795SS**  trans-65.691166.11800000106.4K118 G122K118-V120 PolarHBondContact O-N 3.16Å; K118-V120 VanDerWaalsContact O-N 3.08Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.49Å
121R46.5Very low44.2Very low236 Ų236156.3 Ų156.389%0.89180%0.798SS**  trans-67.997.4171.5-95.7-174.2174.1-179.4-0.1107.1P119 E123P119-R121 VanDerWaalsContact C-N 3.26Å; P119-R121 PolarHBondContact O-N 2.77Å; R121-E123 PolarHBondContact O-N 3.23Å
122G41.7Very low44.9Very low59 Ų59154.3 Ų154.361%0.60879%0.788SS**  trans-49.5128.7171.500000110V120 K124V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.49Å; G122-K124 PolarHBondContact O-N 3Å
123E48.2Very low45.8Very low173 Ų173159.2 Ų159.281%0.80879%0.792SS**  trans-62.176.6173.9-64.5-175.2165.100109.9R121 K125R121-E123 PolarHBondContact O-N 3.23Å; E123-K125 PolarHBondContact O-N 3.12Å
124K49.7Very low46.8Very low183 Ų183158 Ų15880%0.79678%0.779SS**  trans-70.793.6163.8-76.8-175.9176.11780105.9G122 R126G122-K124 PolarHBondContact O-N 3Å; K124-R126 PolarHBondContact O-N 2.99Å
125K46.8Very low47.5Very low185 Ų185161.1 Ų161.180%0.80479%0.79SS**  trans-52.970.1162.2-68-178.5179.3177.30109.3E123 K127E123-K125 PolarHBondContact O-N 3.12Å; K125-K127 PolarHBondContact O-N 3.15Å
126R49.3Very low48.3Very low222 Ų222156 Ų15684%0.83878%0.775SS**  trans-70.197.2161.8-75.6-173.4168-180-3.2104K124 S128K124-R126 PolarHBondContact O-N 2.99Å; R126-S128 PolarHBondContact O-N 3.37Å
127K45.9Very low49.1Very low196 Ų196154.2 Ų154.285%0.85277%0.767SS**  trans-55.686.5159.1-65.4177.2-178.9178.40105.3K125 L129K125-K127 PolarHBondContact O-N 3.15Å; K127-L129 VanDerWaalsContact C-N 3.33Å; K127-L129 PolarHBondContact O-N 3.13Å
128S47.3Very low49.7Very low106 Ų106151 Ų15174%0.74176%0.756SS**  trans-60.5108.4165.754.70000103.9R126 G130R126-S128 PolarHBondContact O-N 3.37Å; S128-G130 PolarHBondContact O-N 2.81Å
129L50.5Low50.1Low169 Ų169149.2 Ų149.289%0.88575%0.751SS**  trans-54.996.9166-72.4162.3000105K127 I131K127-L129 VanDerWaalsContact C-N 3.33Å; K127-L129 PolarHBondContact O-N 3.13Å; L129-I131 PolarHBondContact O-N 3.26Å; L129-I131 VanDerWaalsContact O-N 3.14Å
130G43.3Very low50.7Low60 Ų60149 Ų14962%0.61975%0.751SS**PPolyproline II helixtrans-58.1122.4-178.200000106.5S128S128-G130 PolarHBondContact O-N 2.81Å
131I50.9Low51.3Low155 Ų155145.7 Ų145.780%0.79574%0.739SS**PPolyproline II helixtrans-48.5121.8170.9-63.9168.2000105.9L129 R133L129-I131 PolarHBondContact O-N 3.26Å; L129-I131 VanDerWaalsContact O-N 3.14Å; I131-R133 PolarHBondContact O-N 2.77Å; I131-R133 VanDerWaalsContact O-N 3.13Å
132P51.3Low51.9Low89 Ų89140.5 Ų140.558%0.57873%0.729SS**PPolyproline II helixtrans-56.7125.7-173.719.2-30.2000108.6T134P132-T134 HydrophobicContact CB-CG2 4.26Å; P132-T134 PolarHBondContact O-N 3.37Å
133R57.5Low53Low234 Ų234142.1 Ų142.188%0.88373%0.728SS**G310 helixtrans-63.915.7178.7-70.8-179.1172.5164.4-2.8113.4I131 L135I131-R133 PolarHBondContact O-N 2.77Å; I131-R133 VanDerWaalsContact O-N 3.13Å; R133-L135 PolarHBondContact O-N 3.16Å
134T56.8Low54.1Low94 Ų94143.9 Ų143.958%0.57773%0.733SS**G310 helixtrans-76.5-18.6-170.251.10000113.5P132P132-T134 HydrophobicContact CB-CG2 4.26Å; P132-T134 PolarHBondContact O-N 3.37Å
135L54.1Low54.9Low140 Ų140143.5 Ų143.573%0.73373%0.732SS**G310 helixtrans-84.4-17.3178.1-63.6-179.8000114.4R133 K137 Y138R133-L135 PolarHBondContact O-N 3.16Å; L135-K137 VanDerWaalsContact C-N 3.26Å; L135-K137 PolarHBondContact O-N 2.92Å; L135-Y138 PolarHBondContact O-N 3.21Å
136A55.5Low56.1Low66 Ų66140 Ų14055%0.54573%0.728SS.*Hα-helixtrans-66.2-28.3179.300000112.7Y138 Q139A136-Y138 PolarHBondContact O-N 2.87Å; A136-Q139 PolarHBondContact O-N 3.2Å
137K55.3Low57.2Low177 Ų177139.1 Ų139.177%0.7773%0.73SS**Hα-helixtrans-65.5-20.9179.8-79.7-171.7176.8-176.60113.8L135 S140L135-K137 VanDerWaalsContact C-N 3.26Å; L135-K137 PolarHBondContact O-N 2.92Å; K137-S140 PolarHBondContact O-OG 2.79Å
138Y54Low58.2Low173 Ų173137.2 Ų137.268%0.67873%0.729SS**Hα-helixtrans-92.6-12-179.8-63.7-74.6000113.5L135 A136 S140 A141L135-Y138 PolarHBondContact O-N 3.21Å; A136-Y138 PolarHBondContact O-N 2.87Å; Y138-S140 VanDerWaalsContact C-N 3.35Å; Y138-S140 PolarHBondContact O-N 2.9Å; Y138-A141 PolarHBondContact O-N 2.91Å
139Q57Low59.4Low157 Ų157141.7 Ų141.773%0.73474%0.735SS**Hα-helixtrans-73.8-28.5-178.7-158.2159.413.900112.4A136 A141A136-Q139 PolarHBondContact O-N 3.2Å; Q139-A141 VanDerWaalsContact C-N 3.27Å; Q139-A141 PolarHBondContact O-N 2.96Å
140S59.4Low59.7Low111 Ų111141.9 Ų141.978%0.77673%0.733SS**THydrogen-bonded Turntrans-76.7-9.5174.753.90000114.2K137 Y138K137-S140 PolarHBondContact O-OG 2.79Å; Y138-S140 VanDerWaalsContact C-N 3.35Å; Y138-S140 PolarHBondContact O-N 2.9Å
141A56.9Low60.8Low74 Ų74147.4 Ų147.461%0.61274%0.743SS**THydrogen-bonded Turntrans-92.52.3-177.100000113.9Y138 Q139 P143Y138-A141 PolarHBondContact O-N 2.91Å; Q139-A141 VanDerWaalsContact C-N 3.27Å; Q139-A141 PolarHBondContact O-N 2.96Å; A141-P143 WeakPolarHBondContact O-CD 3.48Å
142L59.2Low61.2Low128 Ų128145.6 Ų145.667%0.6774%0.741SS**SBendtrans-71.2125.2175.8-77.4167.6000109.9K144L142-K144 PolarHBondContact O-N 3.04Å; L142-K144 VanDerWaalsContact O-N 3.15Å
143P64Low61.8Low92 Ų92147.9 Ų147.960%0.59775%0.753SS**  trans-54.7122.8175.1-22.331.4000109.9A141 F145A141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-F145 WeakPolarHBondContact O-CD2 3.4Å; P143-F145 PolarHBondContact O-N 3.35Å
144K70.6Confident61.7Low211 Ų211144 Ų14492%0.91775%0.749SS**  trans-67.2100.8171.4-70.2178-177.4174.40107.6L142L142-K144 PolarHBondContact O-N 3.04Å; L142-K144 VanDerWaalsContact O-N 3.15Å
145F67.5Low61.7Low175 Ų175145 Ų14577%0.76876%0.757SS**  trans-65.1132.9174.1-70.8-80.8000109.5P143 K147P143-F145 WeakPolarHBondContact O-CD2 3.4Å; P143-F145 PolarHBondContact O-N 3.35Å; F145-K147 PolarHBondContact O-N 3.44Å
146P72.6Confident61.7Low112 Ų112144.6 Ų144.673%0.72776%0.755SS**  trans-60.6128.3173.123.9-30.9000108.8L148P146-L148 PolarHBondContact O-N 3.04Å; P146-L148 VanDerWaalsContact O-N 3.07Å
147K72.7Confident61.4Low203 Ų203145.4 Ų145.488%0.88376%0.755SS**  trans-60.4114.2176.4-68.6179.8-179.3178.20108.1F145 K149F145-K147 PolarHBondContact O-N 3.44Å; K147-K149 PolarHBondContact O-N 2.75Å
148L66.6Low61.5Low156 Ų156142.8 Ų142.882%0.81775%0.749SS**  trans-64.2118.4171.8-65.5174.3000107.7P146 M150P146-L148 PolarHBondContact O-N 3.04Å; P146-L148 VanDerWaalsContact O-N 3.07Å; L148-M150 PolarHBondContact O-N 2.88Å; L148-M150 VanDerWaalsContact O-N 3.16Å
149K70.7Confident61.5Low200 Ų200142 Ų14287%0.8775%0.752SS**  trans-64115.7168.6-69.4-177.5179.3-179.50106.8K147 Q151K147-K149 PolarHBondContact O-N 2.75Å; K149-Q151 PolarHBondContact O-N 2.77Å
150M58.3Low61.1Low173 Ų173139.1 Ų139.185%0.85274%0.741SS**PPolyproline II helixtrans-62.8118.6170.6-65.9-97.772.800106.8L148L148-M150 PolarHBondContact O-N 2.88Å; L148-M150 VanDerWaalsContact O-N 3.16Å
151Q66.2Low60.6Low175 Ų175137.8 Ų137.882%0.81873%0.728SS**PPolyproline II helixtrans-66.4139.6167.4-72.9-160.92.900108.2K149 V153K149-Q151 PolarHBondContact O-N 2.77Å; Q151-V153 PolarHBondContact O-N 3.22Å
152P60Low60.1Low117 Ų117143.4 Ų143.476%0.7673%0.733SS**PPolyproline II helixtrans-56.5127.3172.223.7-31.2000108.4L154P152-L154 PolarHBondContact O-N 2.78Å
153V62.3Low59.6Low138 Ų138141.5 Ų141.584%0.83673%0.727SS**  trans-62.6111.7171.2177.90000106Q151Q151-V153 PolarHBondContact O-N 3.22Å
154L56.8Low58.8Low151 Ų151142.6 Ų142.679%0.79173%0.726SS**PPolyproline II helixtrans-54.9130.3172.4-80.8161.4000108.1P152 L156P152-L154 PolarHBondContact O-N 2.78Å; L154-L156 PolarHBondContact O-N 3.22Å
155P56.8Low57.6Low115 Ų115139.7 Ų139.775%0.74772%0.716SS**PPolyproline II helixtrans-55.7129.9174.721.3-29.6000108.8
156L53.9Low56.6Low133 Ų133135.8 Ų135.870%0.69671%0.706SS**PPolyproline II helixtrans-57138.2175.9-82.7142.1000108.9L154 D158 I160L154-L156 PolarHBondContact O-N 3.22Å; L156-D158 PolarHBondContact O-N 3.48Å; L156-I160 HydrophobicContact CD2-CD1 4.31Å
157P48.2Very low55.2Low82 Ų82139.7 Ų139.753%0.53271%0.708SS.*PPolyproline II helixtrans-58.2131.1-178.820.9-30.6000111.1E159 I160P157-E159 PolarHBondContact O-N 3.37Å; P157-I160 PolarHBondContact O-N 3.46Å
158D57.2Low53.9Low123 Ų123133.2 Ų133.266%0.65869%0.693SS**THydrogen-bonded Turntrans-54.9-13.1-174.2-66.6-28.2000114.9L156 I160 T161 R162L156-D158 PolarHBondContact O-N 3.48Å; D158-I160 VanDerWaalsContact C-N 3.28Å; D158-I160 PolarHBondContact O-N 3.36Å; D158-T161 WeakPolarHBondContact CA-OG1 3.33Å; D158-T161 PolarHBondContact O-N 3.46Å; D158-T161 PolarHBondContact O-OG1 3.38Å; D158-R162 PolarHBondContact O-N 2.94Å
159E53.9Low52.7Low155 Ų155131.5 Ų131.572%0.72468%0.683SS**Hα-helixtrans-61.7-35.2177.7-68.6-177.616900112.4P157 R162P157-E159 PolarHBondContact O-N 3.37Å; E159-R162 PolarHBondContact O-N 3.43Å
160I48.6Very low51.4Low98 Ų98127.7 Ų127.750%0.50367%0.673SS.*Hα-helixtrans-69.1-39.7178.6-59.6175000110.1L156 P157 D158 R162 T163L156-I160 HydrophobicContact CD2-CD1 4.31Å; P157-I160 PolarHBondContact O-N 3.46Å; D158-I160 VanDerWaalsContact C-N 3.28Å; D158-I160 PolarHBondContact O-N 3.36Å; I160-R162 VanDerWaalsContact C-N 3.33Å; I160-R162 PolarHBondContact O-N 3.4Å; I160-T163 PolarHBondContact O-N 2.7Å; I160-T163 PolarHBondContact O-OG1 2.94Å
161T49.4Very low50.8Low82 Ų82130.5 Ų130.550%0.50367%0.674SS.*Hα-helixtrans-63.8-34.6179.525.80000113.2D158 T163 I164D158-T161 WeakPolarHBondContact CA-OG1 3.33Å; D158-T161 PolarHBondContact O-N 3.46Å; D158-T161 PolarHBondContact O-OG1 3.38Å; T161-T163 VanDerWaalsContact C-N 3.29Å; T161-T163 PolarHBondContact O-N 3.25Å; T161-I164 PolarHBondContact O-N 3.14Å
162R46.6Very low49.6Very low193 Ų193132.7 Ų132.773%0.72867%0.674SS**Hα-helixtrans-63.3-33.8177.6-70.5-174.3-177.9179.32113.1D158 E159 I160 I164 E165D158-R162 PolarHBondContact O-N 2.94Å; E159-R162 PolarHBondContact O-N 3.43Å; I160-R162 VanDerWaalsContact C-N 3.33Å; I160-R162 PolarHBondContact O-N 3.4Å; R162-I164 VanDerWaalsContact C-N 3.26Å; R162-I164 PolarHBondContact O-N 2.69Å; R162-E165 PolarHBondContact O-N 2.88Å
163T48.7Very low48.8Very low87 Ų87133.2 Ų133.253%0.53467%0.67SS.*Hα-helixtrans-70-23.4179.6590000113.4I160 T161 Y167I160-T163 PolarHBondContact O-N 2.7Å; I160-T163 PolarHBondContact O-OG1 2.94Å; T161-T163 VanDerWaalsContact C-N 3.29Å; T161-T163 PolarHBondContact O-N 3.25Å; T163-Y167 WeakPolarHBondContact O-CD2 3.47Å
164I48.1Very low47.7Very low115 Ų115130 Ų13059%0.5966%0.664SS**Hα-helixtrans-74.7-32.5-178.4-58.8173.8000111T161 R162T161-I164 PolarHBondContact O-N 3.14Å; R162-I164 VanDerWaalsContact C-N 3.26Å; R162-I164 PolarHBondContact O-N 2.69Å
165E44.1Very low46.8Very low151 Ų151131.9 Ų131.971%0.70667%0.666SS**Hα-helixtrans-74.8-31.1-174.9-67.6-168.7161.400113.9R162 Y167 A168 L169R162-E165 PolarHBondContact O-N 2.88Å; E165-Y167 VanDerWaalsContact C-N 3.33Å; E165-Y167 PolarHBondContact O-N 3.06Å; E165-A168 PolarHBondContact O-N 2.92Å; E165-L169 PolarHBondContact O-N 2.95Å
166V46.2Very low46Very low92 Ų92137.3 Ų137.356%0.55867%0.672SS**Hα-helixtrans-66.9-34.6-177.6-173.90000111.9
167Y44.2Very low45.2Very low194 Ų194138.8 Ų138.876%0.76168%0.68SS**Hα-helixtrans-75-24.9179.8-75.9-79.1000113.5T163 E165T163-Y167 WeakPolarHBondContact O-CD2 3.47Å; E165-Y167 VanDerWaalsContact C-N 3.33Å; E165-Y167 PolarHBondContact O-N 3.06Å
168A46Very low44.6Very low68 Ų68138.1 Ų138.156%0.56269%0.688SS**Hα-helixtrans-77-36.1179.200000112.3E165 R171E165-A168 PolarHBondContact O-N 2.92Å; A168-R171 PolarHBondContact O-N 3.19Å
169L41.7Very low43.5Very low119 Ų119143.3 Ų143.362%0.62370%0.699SS**Hα-helixtrans-70.6-36.2-176.9-148.380.9000112.5E165 R171 R172E165-L169 PolarHBondContact O-N 2.95Å; L169-R171 PolarHBondContact O-N 2.84Å; L169-R171 VanDerWaalsContact O-N 3.14Å; L169-R172 PolarHBondContact O-N 3.3Å; L169-R172 VanDerWaalsContact O-N 3.12Å
170N42.5Very low42.8Very low121 Ų121141.8 Ų141.865%0.64770%0.7SS**THydrogen-bonded Turntrans-68.1-13.2-178.8-83.1-19.6000114.5
171R44.9Very low42.4Very low231 Ų231144.7 Ų144.787%0.87271%0.711SS**THydrogen-bonded Turntrans-82-18.8172.4-92.7-171175.6-176.51.3114.4A168 L169A168-R171 PolarHBondContact O-N 3.19Å; L169-R171 PolarHBondContact O-N 2.84Å; L169-R171 VanDerWaalsContact O-N 3.14Å
172R42.4Very low41.9Very low221 Ų221148 Ų14883%0.83473%0.726SS**THydrogen-bonded Turntrans-89.2-17.7-178.9-72.8-171.3178-177.60.9114.2L169L169-R172 PolarHBondContact O-N 3.3Å; L169-R172 VanDerWaalsContact O-N 3.12Å
173I43.1Very low41.6Very low129 Ų129144.1 Ų144.166%0.66272%0.724SS**SBendtrans-93.4-3.3-176.7-58.9173.7000112.5K175I173-K175 PolarHBondContact O-N 3.34Å
174G37.8Very low41Very low69 Ų69145.6 Ų145.671%0.71174%0.735SS**  trans-79.638.1174.500000115.4R176G174-R176 PolarHBondContact O-N 3.39Å
175K38.1Very low40.7Very low192 Ų192149.9 Ų149.984%0.83575%0.749SS**  trans-95.173.2165.1-76-172.5179.3-178.50108.8I173I173-K175 PolarHBondContact O-N 3.34Å
176R39.8Very low40.5Very low229 Ų229153.3 Ų153.386%0.86476%0.756SS**SBendtrans-129.496.4164.3-77.4-170.5178.2171.80.4108.8G174 G178G174-R176 PolarHBondContact O-N 3.39Å; R176-G178 VanDerWaalsContact C-N 3.32Å; R176-G178 PolarHBondContact O-N 3Å
177N38.4Very low40.1Very low163 Ų163153.3 Ų153.387%0.87277%0.765SS**  trans30.258141.7-54.6-8.5000115.8R179N177-R179 PolarHBondContact O-N 2.98Å
178G34.9Very low39.7Very low69 Ų69153 Ų15371%0.71177%0.768SS**  trans-73.7102.9163.300000107.6R176 V180R176-G178 VanDerWaalsContact C-N 3.32Å; R176-G178 PolarHBondContact O-N 3Å; G178-V180 PolarHBondContact O-N 3.34Å
179R34.4Very low39.4Very low231 Ų231154.5 Ų154.587%0.87277%0.772SS**  trans-38.1122.7168.5-83.4177.3170.4-178.3-3.1109.3N177 E181N177-R179 PolarHBondContact O-N 2.98Å; R179-E181 PolarHBondContact O-N 2.95Å
180V38.9Very low39.3Very low123 Ų123157.2 Ų157.275%0.74578%0.779SS**  trans-66.790.7168.2178.90000106.2G178 N182G178-V180 PolarHBondContact O-N 3.34Å; V180-N182 VanDerWaalsContact C-N 3.34Å; V180-N182 PolarHBondContact O-N 3.49Å
181E39.8Very low38.9Very low159 Ų159159.8 Ų159.874%0.74379%0.792SS**  trans-68.3101.7163.4-75.2-171.3170.800106.9R179 T183R179-E181 PolarHBondContact O-N 2.95Å; E181-T183 PolarHBondContact O-N 3.28Å
182N38.5Very low38.4Very low151 Ų151156.1 Ų156.181%0.80779%0.789SS**  trans-59.880.5169.4-73.3-31.6000109V180V180-N182 VanDerWaalsContact C-N 3.34Å; V180-N182 PolarHBondContact O-N 3.49Å
183T40.3Very low38.2Very low112 Ų112156.6 Ų156.669%0.68779%0.791SS**  trans-79.1127.1167.343.50000108.2E181 K185E181-T183 PolarHBondContact O-N 3.28Å; T183-K185 PolarHBondContact O-N 2.7Å
184P37.8Very low38Very low119 Ų119158.3 Ų158.377%0.77379%0.794SS**  trans-64.3128.7-172.523.6-31.8000110.1R186P184-R186 PolarHBondContact O-N 3.09Å
185K41.6Very low38Very low205 Ų205161.4 Ų161.489%0.89179%0.794SS**  trans-51.294.8173.3-66.7171.3179.3174.20109.3T183 A187T183-K185 PolarHBondContact O-N 2.7Å; K185-A187 VanDerWaalsContact C-N 3.34Å; K185-A187 PolarHBondContact O-N 3.15Å
186R39.7Very low38Very low223 Ų223158.2 Ų158.284%0.84279%0.787SS**  trans-65.8101.8160.1-92.6-175.9173.6171.6-1.2106.5P184 F188P184-R186 PolarHBondContact O-N 3.09Å; R186-F188 WeakPolarHBondContact O-CD2 3.42Å; R186-F188 PolarHBondContact O-N 3.27Å
187A37Very low37.9Very low91 Ų91155.8 Ų155.875%0.75278%0.782SS**  trans-55.5107.7170.500000108.6K185 P189K185-A187 VanDerWaalsContact C-N 3.34Å; K185-A187 PolarHBondContact O-N 3.15Å; A187-P189 WeakPolarHBondContact O-CD 3.3Å
188F36.6Very low37.9Very low188 Ų188155 Ų15583%0.82578%0.779SS**  trans-83.4112.9162.1-76.9-84.8000106.8R186 F190R186-F188 WeakPolarHBondContact O-CD2 3.42Å; R186-F188 PolarHBondContact O-N 3.27Å; F188-F190 PolarHBondContact O-N 2.73Å; F188-F190 VanDerWaalsContact O-N 3.16Å
189P38.9Very low38Very low99 Ų99157 Ų15764%0.64378%0.777SS**  trans-82.815.9-170.131.6-31.2000114A187A187-P189 WeakPolarHBondContact O-CD 3.3Å
190F39.1Very low38.1Very low177 Ų177150 Ų15078%0.77677%0.768SS**  trans-129.177.8-174-61-74.5000111.6F188F188-F190 PolarHBondContact O-N 2.73Å; F188-F190 VanDerWaalsContact O-N 3.16Å
191L34.6Very low38.2Very low175 Ų175148.5 Ų148.592%0.91677%0.768SS**  trans-173.954.6153.4-100144000109.5
192N35.8Very low38Very low153 Ų153148 Ų14882%0.81877%0.77SS**  trans-107.859169.4-139.24.1000108.2
193R36.9Very low37.5Very low231 Ų231144.4 Ų144.487%0.87277%0.77SS**  trans-101.994167.5-81.9-170.8-175.9172.62.1108.3N195R193-N195 PolarHBondContact O-N 2.98Å
194K39.2Very low37.2Very low165 Ų165148.8 Ų148.872%0.71778%0.779SS**  trans-47.5100.3159.8-61.5173.8176.8-178.60108.9
195N38.7Very low36.8Very low135 Ų135147.2 Ų147.272%0.72279%0.785SS**  trans-112.274.3157.3-81.3-3000106.3R193 F197R193-N195 PolarHBondContact O-N 2.98Å; N195-F197 PolarHBondContact O-N 3.47Å
196D37.6Very low36.7Very low125 Ų125141.5 Ų141.567%0.66878%0.776SS**  trans-69.969165.2-63.1-47.2000108.6N198D196-N198 PolarHBondContact O-N 3.31Å
197F37.4Very low36.4Very low177 Ų177142.2 Ų142.278%0.77678%0.779SS**  trans-87.769162.5-94.4-85.2000108.6N195 V199N195-F197 PolarHBondContact O-N 3.47Å; F197-V199 HydrophobicContact CD1-CG2 3.95Å; F197-V199 PolarHBondContact O-N 3.26Å
198N38.3Very low36.4Very low148 Ų148147.6 Ų147.679%0.79179%0.785SS**  trans-74.173.6160.8-81.9-30.9000108.3D196 A200D196-N198 PolarHBondContact O-N 3.31Å; N198-A200 VanDerWaalsContact C-N 3.25Å; N198-A200 PolarHBondContact O-N 3.4Å
199V38Very low36.8Very low111 Ų111144.2 Ų144.267%0.67378%0.782SS**  trans-78.489.8162.8-179.20000106.5F197 A201F197-V199 HydrophobicContact CD1-CG2 3.95Å; F197-V199 PolarHBondContact O-N 3.26Å; V199-A201 PolarHBondContact O-N 3.24Å
200A36.4Very low36.7Very low83 Ų83148.4 Ų148.469%0.68679%0.79SS**  trans-61.188.1161.200000107.9N198 N202N198-A200 VanDerWaalsContact C-N 3.25Å; N198-A200 PolarHBondContact O-N 3.4Å; A200-N202 VanDerWaalsContact C-N 3.31Å; A200-N202 PolarHBondContact O-N 2.86Å
201A40.9Very low36.7Very low91 Ų91148.4 Ų148.475%0.75280%0.798SS**  trans-69.396.1169.600000107.7V199V199-A201 PolarHBondContact O-N 3.24Å
202N34.6Very low36.9Very low148 Ų148148.3 Ų148.379%0.79179%0.79SS**  trans-46.1136.7171.6-77.6-27.3000111.2A200 F204A200-N202 VanDerWaalsContact C-N 3.31Å; A200-N202 PolarHBondContact O-N 2.86Å; N202-F204 PolarHBondContact O-N 3.43Å
203G29.1Very low37.2Very low77 Ų77145.7 Ų145.779%0.79478%0.781SS**  trans-52.5118-176.600000113
204F33.8Very low37.5Very low203 Ų203142 Ų14289%0.8978%0.779SS**  trans-106.1112.2148.8-104.9-96000107.4N202 A206N202-F204 PolarHBondContact O-N 3.43Å; F204-A206 PolarHBondContact O-N 3.38Å
205G29.5Very low37.6Very low87 Ų87143.1 Ų143.190%0.89778%0.784SS**  trans-6281.4171.600000110.8
206A38.7Very low37.7Very low84 Ų84141.7 Ų141.769%0.69478%0.78SS**  trans-104.197.3168.600000107.9F204F204-A206 PolarHBondContact O-N 3.38Å
207R34.4Very low37.9Very low238 Ų238141.4 Ų141.490%0.89879%0.785SS**  trans12.1112.7156.2-64.7178.4175-174-2.8115.3P209R207-P209 WeakPolarHBondContact O-CD 3.47Å
208K36.7Very low38.4Very low205 Ų205140.1 Ų140.189%0.89179%0.785SS**  trans-23.9102.2166.6-66.4175.7-179.9177.20111.5F210K208-F210 PolarHBondContact O-N 3.32Å
209P43.9Very low38.5Very low117 Ų117136.1 Ų136.176%0.7678%0.779SS**  trans-66.6135.1168.327.1-29.4000106.9R207 L211R207-P209 WeakPolarHBondContact O-CD 3.47Å; P209-L211 PolarHBondContact O-N 3.25Å
210F37.3Very low38.8Very low186 Ų186136.5 Ų136.582%0.81678%0.781SS**  trans-40.3134.7173.4-90.6-107.8000110.5K208 F212K208-F210 PolarHBondContact O-N 3.32Å; F210-F212 HydrophobicContact CB-CE2 4.36Å; F210-F212 PolarHBondContact O-N 3.27Å
211L39.1Very low39.4Very low177 Ų177141.9 Ų141.993%0.92779%0.789SS**  trans-54.982.7169.2-83.6118000109.5P209P209-L211 PolarHBondContact O-N 3.25Å
212F38.6Very low39.5Very low173 Ų173145.4 Ų145.476%0.75979%0.792SS**  trans-75122.9149.9-71.3-75.1000105.2F210 N214F210-F212 HydrophobicContact CB-CE2 4.36Å; F210-F212 PolarHBondContact O-N 3.27Å; F212-N214 PolarHBondContact O-N 3.45Å
213P42.7Very low40Very low98 Ų98147.4 Ų147.464%0.63679%0.794SS**  trans-54.7118.917222.7-30.5000106.2F215P213-F215 PolarHBondContact O-N 2.82Å
214N41.9Very low40.8Very low153 Ų153151.2 Ų151.282%0.81879%0.794SS**  trans-53.798.1168.2-82.6-27.9000106.1F212 T216F212-N214 PolarHBondContact O-N 3.45Å; N214-T216 PolarHBondContact O-N 3.12Å
215F42Very low41.4Very low190 Ų190147.3 Ų147.383%0.83379%0.787SS**  trans-63.586.3157.6-86.3-87000104.3P213 P217P213-F215 PolarHBondContact O-N 2.82Å; F215-P217 WeakPolarHBondContact O-CD 3.43Å; F215-P217 VanDerWaalsContact O-N 3.09Å
216T39.9Very low42.3Very low104 Ų104151.7 Ų151.764%0.63878%0.781SS**  trans-57.6114158410000104N214 I218N214-T216 PolarHBondContact O-N 3.12Å; T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 2.88Å
217P43.8Very low42.7Very low119 Ų119153.3 Ų153.377%0.77378%0.784SS**  trans-58111.6171.924-30.3000104.4F215 G219F215-P217 WeakPolarHBondContact O-CD 3.43Å; F215-P217 VanDerWaalsContact O-N 3.09Å; P217-G219 PolarHBondContact O-N 3.05Å
218I46.5Very low43.1Very low150 Ų150148.1 Ų148.177%0.76978%0.78SS**  trans-59.398.2171.4-67.3169.1000103T216 V220T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 2.88Å; I218-V220 HydrophobicContact CG2-CG2 4.47Å; I218-V220 PolarHBondContact O-N 3.12Å
219G41Very low43.5Very low64 Ų64149.9 Ų149.966%0.6678%0.781SS**  trans-6390.517700000106P217 K221P217-G219 PolarHBondContact O-N 3.05Å; G219-K221 PolarHBondContact O-N 3.38Å
220V44.2Very low43.7Very low119 Ų119148.9 Ų148.972%0.72178%0.782SS**  trans-65.492.4168.3-176.50000104.1I218 M222I218-V220 HydrophobicContact CG2-CG2 4.47Å; I218-V220 PolarHBondContact O-N 3.12Å; V220-M222 PolarHBondContact O-N 2.78Å
221K48.7Very low44.2Very low196 Ų196147.5 Ų147.585%0.85278%0.782SS**  trans-61.993.4168-74.3-173176.5-176.50105.9G219 K223G219-K221 PolarHBondContact O-N 3.38Å; K221-K223 VanDerWaalsContact C-N 3.35Å; K221-K223 PolarHBondContact O-N 3.35Å
222M43.2Very low44.4Very low166 Ų166144.7 Ų144.782%0.81878%0.775SS**  trans-60.5103.1167.8-75-176.671.900106.3V220 I224V220-M222 PolarHBondContact O-N 2.78Å; M222-I224 PolarHBondContact O-N 2.99Å
223K44.7Very low44.7Very low190 Ų190141.2 Ų141.283%0.82678%0.778SS**  trans-64.2106.8165.5-76.3-173.2177.2-176.30105.5K221 V225K221-K223 VanDerWaalsContact C-N 3.35Å; K221-K223 PolarHBondContact O-N 3.35Å; K223-V225 PolarHBondContact O-N 3Å
224I47.3Very low44.8Very low157 Ų157143.2 Ų143.281%0.80579%0.789SS**  trans-64.393.6166.8-59.9168000105.1M222 K226M222-I224 PolarHBondContact O-N 2.99Å; I224-K226 PolarHBondContact O-N 3.21Å
225V46.3Very low44.8Very low121 Ų121140.9 Ų140.973%0.73378%0.784SS**  trans-66.3106.6171.9177.90000105K223K223-V225 PolarHBondContact O-N 3Å
226K48.3Very low44.8Very low178 Ų178137.5 Ų137.577%0.77478%0.779SS**  trans-56.5125.5170.9-69.2-177.2178.9-178.50106.4I224 T228I224-K226 PolarHBondContact O-N 3.21Å; K226-T228 PolarHBondContact O-N 2.82Å
227P45.8Very low45Very low118 Ų118138.1 Ų138.177%0.76679%0.785SS**  trans-59.8110.2175.923.8-31.2000107R229P227-R229 PolarHBondContact O-N 2.73Å; P227-R229 VanDerWaalsContact O-N 3.09Å
228T44.3Very low45Very low130 Ų130139.3 Ų139.380%0.79878%0.782SS**  trans-54.6119.7166.5-420000105.1K226 A230K226-T228 PolarHBondContact O-N 2.82Å; T228-A230 PolarHBondContact O-N 2.74Å
229R43.7Very low44.8Very low242 Ų242139.7 Ų139.791%0.91379%0.786SS**  trans-56.890.4176.3-79.1179.5170.8178.9-4107.6P227 L231P227-R229 PolarHBondContact O-N 2.73Å; P227-R229 VanDerWaalsContact O-N 3.09Å; R229-L231 PolarHBondContact O-N 2.71Å
230A49Very low45Very low95 Ų95145.6 Ų145.679%0.78579%0.789SS**PPolyproline II helixtrans-64.3124.5169.400000105.8T228T228-A230 PolarHBondContact O-N 2.74Å
231L46.8Very low44.9Very low158 Ų158144.6 Ų144.683%0.82779%0.794SS**PPolyproline II helixtrans-51.9154.6179.1-74162.5000111.2R229R229-L231 PolarHBondContact O-N 2.71Å
232P44.1Very low44.6Very low118 Ų118138 Ų13877%0.76678%0.781SS**PPolyproline II helixtrans-62139.4-169.216.2-20.5000112.3T234P232-T234 PolarHBondContact O-N 3.28Å
233A44.1Very low44.6Very low100 Ų100139.5 Ų139.583%0.82678%0.783SS**  trans-40.2116179.800000113.8
234T44.9Very low44.7Very low140 Ų140134.9 Ų134.986%0.85978%0.78SS**  trans-83.3120.4154.351.30000108.5P232 T236P232-T234 PolarHBondContact O-N 3.28Å; T234-T236 PolarHBondContact O-N 3.39Å
235S42Very low44.7Very low104 Ų104137.3 Ų137.373%0.72779%0.785SS**SBendtrans-44122.5176.451.50000114.5
236T41.7Very low44.5Very low119 Ų119134.1 Ų134.173%0.7378%0.776SS**  -175.8117.5113.7280000106.7T234 M238T234-T236 PolarHBondContact O-N 3.39Å; T236-M238 PolarHBondContact O-N 3.23Å
237P45.7Very low44.7Very low117 Ų117131.8 Ų131.876%0.7678%0.779SS**  trans-65.8102.4167.227.2-28.7000106.3D239P237-D239 PolarHBondContact O-N 2.87Å; P237-D239 VanDerWaalsContact O-N 3.14Å
238M42.4Very low44.8Very low144 Ų144130.5 Ų130.571%0.70977%0.773SS**  trans-62.8118.1160.3-86.8-164.2-66.500106T236 Y240T236-M238 PolarHBondContact O-N 3.23Å; M238-Y240 HydrophobicContact CB-CD2 3.98Å; M238-Y240 HydrophobicContact CB-CE2 4.43Å; M238-Y240 HydrophobicContact CE-CD2 4.22Å; M238-Y240 HydrophobicContact CE-CE2 3.69Å; M238-Y240 PolarHBondContact O-N 2.81Å; M238-Y240 HydrophobicContact SD-CD2 4.45Å; M238-Y240 HydrophobicContact SD-CE2 3.97Å
239D43Very low45.3Very low158 Ų158134.6 Ų134.685%0.84578%0.78SS**  trans-60.471.9164.3-71.8-41.2000108.8P237 A241P237-D239 PolarHBondContact O-N 2.87Å; P237-D239 VanDerWaalsContact O-N 3.14Å; D239-A241 PolarHBondContact O-N 2.89Å
240Y44.7Very low45.5Very low188 Ų188128.1 Ų128.174%0.73777%0.767SS**  trans-68.995.4160.7-101.1-90.6000105.1M238 G242M238-Y240 HydrophobicContact CB-CD2 3.98Å; M238-Y240 HydrophobicContact CB-CE2 4.43Å; M238-Y240 HydrophobicContact CE-CD2 4.22Å; M238-Y240 HydrophobicContact CE-CE2 3.69Å; M238-Y240 PolarHBondContact O-N 2.81Å; M238-Y240 HydrophobicContact SD-CD2 4.45Å; M238-Y240 HydrophobicContact SD-CE2 3.97Å; Y240-G242 PolarHBondContact O-N 2.92Å
241A41.9Very low45.4Very low98 Ų98127 Ų12781%0.8176%0.758SS**  trans-60.853.5153.800000109.5D239 K243D239-A241 PolarHBondContact O-N 2.89Å; A241-K243 VanDerWaalsContact C-N 3.33Å; A241-K243 PolarHBondContact O-N 3.04Å
242G42.5Very low45.6Very low56 Ų56125.1 Ų125.158%0.57776%0.755SS**  trans-66.4101.7164.900000104.9Y240 A244Y240-G242 PolarHBondContact O-N 2.92Å; G242-A244 VanDerWaalsContact C-N 3.32Å; G242-A244 PolarHBondContact O-N 2.8Å
243K43.7Very low46Very low199 Ų199130.7 Ų130.787%0.86576%0.761SS**  trans-40.8100.2174.3-67.9-162.4177.6-173.10108.5A241 K245A241-K243 VanDerWaalsContact C-N 3.33Å; A241-K243 PolarHBondContact O-N 3.04Å; K243-K245 PolarHBondContact O-N 2.8Å
244A47.1Very low46.6Very low93 Ų93135.9 Ų135.977%0.76976%0.761SS**  trans-58.2111172.400000104.4G242 G246G242-A244 VanDerWaalsContact C-N 3.32Å; G242-A244 PolarHBondContact O-N 2.8Å; A244-G246 VanDerWaalsContact C-N 3.29Å; A244-G246 PolarHBondContact O-N 3.5Å
245K47.8Very low47.2Very low208 Ų208140.7 Ų140.790%0.90476%0.763SS**  trans-51.2107.9166.1-75.7-177.5175.9179.20104.2K243K243-K245 PolarHBondContact O-N 2.8Å
246G41.8Very low48.3Very low54 Ų54139.8 Ų139.856%0.55775%0.747SS**  trans-51.2151.9-172.400000109.9A244 S248A244-G246 VanDerWaalsContact C-N 3.29Å; A244-G246 PolarHBondContact O-N 3.5Å; G246-S248 PolarHBondContact O-N 3.37Å
247P51.7Low49.5Very low128 Ų128139.4 Ų139.483%0.83174%0.741SS**  trans-48121.4-179.721.7-32.9000108.1K249P247-K249 PolarHBondContact O-N 3.2Å; P247-K249 VanDerWaalsContact O-N 3.12Å
248S48.3Very low50.6Low91 Ų91142.4 Ų142.464%0.63674%0.742SS**  trans-42.7124.1175168.30000108.3G246 V250G246-S248 PolarHBondContact O-N 3.37Å; S248-V250 PolarHBondContact O-N 3.26Å; S248-V250 WeakPolarHBondContact OG-CG2 3.49Å; S248-V250 PolarHBondContact OG-N 3.38Å
249K54.3Low52Low216 Ų216137.4 Ų137.494%0.93972%0.723SS**SBendtrans-59.70.2178.6-70.5-173.6178.3-1780113.5P247 A251P247-K249 PolarHBondContact O-N 3.2Å; P247-K249 VanDerWaalsContact O-N 3.12Å; K249-A251 PolarHBondContact O-N 3.32Å
250V47.6Very low53.1Low107 Ų107131.9 Ų131.965%0.64870%0.697SS**  trans-75.484.6168.9-1710000107.2S248S248-V250 PolarHBondContact O-N 3.26Å; S248-V250 WeakPolarHBondContact OG-CG2 3.49Å; S248-V250 PolarHBondContact OG-N 3.38Å
251A48.5Very low54.2Low71 Ų71126.6 Ų126.659%0.58768%0.681SS**  trans-44.1128.8166.300000107.8K249 R253K249-A251 PolarHBondContact O-N 3.32Å; A251-R253 PolarHBondContact O-N 3.48Å
252P49.2Very low55.6Low119 Ų119127.6 Ų127.677%0.77367%0.672SS**  trans-52.1115.3175.419.9-29.8000106.2Y254P252-Y254 PolarHBondContact O-N 3.32Å
253R53.2Low56.9Low235 Ų235133.5 Ų133.589%0.88768%0.677SS**  trans-64.589.6175.1-74.1-172.1177.2-174.80.1105.4A251 R255A251-R253 PolarHBondContact O-N 3.48Å; R253-R255 PolarHBondContact O-N 2.78Å
254Y56.7Low58Low209 Ų209129.7 Ų129.782%0.8266%0.661SS**  trans-57.1108.6177.5-155.4-94.4000105P252 E256P252-Y254 PolarHBondContact O-N 3.32Å; Y254-E256 HydrophobicContact CD1-CG 4.31Å; Y254-E256 PolarHBondContact O-N 2.73Å
255R58.7Low58.9Low241 Ų241131.8 Ų131.891%0.90965%0.652SS**  trans-73.980.7-179.1-168.3178.2-172.9171.91105.2R253 N257R253-R255 PolarHBondContact O-N 2.78Å; R255-N257 PolarHBondContact O-N 2.98Å
256E63.8Low59.5Low85 Ų85124.8 Ų124.840%0.39763%0.633SS.*  trans-52.7120.6177-86.6-165.4147.100107.6Y254 K258 L261 K264Y254-E256 HydrophobicContact CD1-CG 4.31Å; Y254-E256 PolarHBondContact O-N 2.73Å; E256-K258 PolarHBondContact O-N 2.92Å; E256-L261 WeakPolarHBondContact OE2-CD1 3.49Å; E256-K264 IonicContact OE1-NZ 2.77Å; E256-K264 PolarHBondContact OE1-NZ 2.95Å
257N68.1Low60.3Low111 Ų111127.2 Ų127.259%0.59463%0.633SS**  trans-56.8127.4173.7-176.3-18.2000107.8R255 A259 S260 L261R255-N257 PolarHBondContact O-N 2.98Å; N257-A259 PolarHBondContact O-N 3.43Å; N257-A259 PolarHBondContact OD1-N 3.29Å; N257-A259 VanDerWaalsContact OD1-N 3.15Å; N257-S260 WeakPolarHBondContact O-CA 3.45Å; N257-S260 VanDerWaalsContact O-CB 3.32Å; N257-S260 WeakPolarHBondContact O-CB 3.15Å; N257-S260 PolarHBondContact O-N 3.37Å; N257-L261 PolarHBondContact O-N 3Å
258K68.2Low60.5Low179 Ų179129.1 Ų129.178%0.77863%0.629SS**Hα-helixtrans-50.4-32179.7-76.2-178176.7178.80112.2E256 L261 L262E256-K258 PolarHBondContact O-N 2.92Å; K258-L261 PolarHBondContact O-N 2.84Å; K258-L262 WeakPolarHBondContact O-CG 3.39Å; K258-L262 PolarHBondContact O-N 3.49Å; K258-L262 VanDerWaalsContact O-N 3.13Å
259A70.4Confident60.8Low39 Ų39132.1 Ų132.132%0.32263%0.632SS.*Hα-helixtrans-64.7-35.6175.800000113.5N257 R263N257-A259 PolarHBondContact O-N 3.43Å; N257-A259 PolarHBondContact OD1-N 3.29Å; N257-A259 VanDerWaalsContact OD1-N 3.15Å; A259-R263 WeakPolarHBondContact O-CG 3.38Å; A259-R263 PolarHBondContact O-N 3.05Å; A259-R263 VanDerWaalsContact O-N 3.16Å
260S67.9Low60.7Low43 Ų43128.7 Ų128.730%0.30162%0.617SS.*Hα-helixtrans-66.6-43.7174.91750000111.1N257 L262 R263 K264N257-S260 WeakPolarHBondContact O-CA 3.45Å; N257-S260 VanDerWaalsContact O-CB 3.32Å; N257-S260 WeakPolarHBondContact O-CB 3.15Å; N257-S260 PolarHBondContact O-N 3.37Å; S260-L262 VanDerWaalsContact C-N 3.32Å; S260-L262 PolarHBondContact O-N 2.89Å; S260-R263 PolarHBondContact O-N 3.12Å; S260-K264 PolarHBondContact O-N 3.14Å
261L67.1Low61Low77 Ų77127.7 Ų127.740%0.40361%0.612SS.*Hα-helixtrans-61.4-40.2178.1-161.484.1000112E256 N257 K258 K264 K265E256-L261 WeakPolarHBondContact OE2-CD1 3.49Å; N257-L261 PolarHBondContact O-N 3Å; K258-L261 PolarHBondContact O-N 2.84Å; L261-K264 PolarHBondContact O-N 2.71Å; L261-K265 PolarHBondContact O-N 2.68Å
262L70.1Confident61.1Low118 Ų118132.9 Ų132.962%0.61862%0.621SS**Hα-helixtrans-66.2-40.7176.4-70.7173.9000112.2K258 S260 K265 A266K258-L262 WeakPolarHBondContact O-CG 3.39Å; K258-L262 PolarHBondContact O-N 3.49Å; K258-L262 VanDerWaalsContact O-N 3.13Å; S260-L262 VanDerWaalsContact C-N 3.32Å; S260-L262 PolarHBondContact O-N 2.89Å; L262-K265 PolarHBondContact O-N 3.14Å; L262-A266 WeakPolarHBondContact O-CB 3.49Å; L262-A266 PolarHBondContact O-N 3.5Å
263R70.7Confident61.2Low181 Ų181132 Ų13268%0.68361%0.614SS**Hα-helixtrans-61.5-43.4174.6-75.7-173.4-103.1-152.4-0.3112.1A259 S260 K265 A266 N267A259-R263 WeakPolarHBondContact O-CG 3.38Å; A259-R263 PolarHBondContact O-N 3.05Å; A259-R263 VanDerWaalsContact O-N 3.16Å; S260-R263 PolarHBondContact O-N 3.12Å; R263-K265 PolarHBondContact O-N 3.16Å; R263-A266 PolarHBondContact O-N 2.91Å; R263-N267 PolarHBondContact O-N 3.09Å; R263-N267 VanDerWaalsContact O-N 3.1Å
264K66.5Low60.9Low119 Ų119125.6 Ų125.652%0.51760%0.603SS.*Hα-helixtrans-62-41.3174.5-72.7-179.5-178174.50112.1E256 S260 L261 N267 K268E256-K264 IonicContact OE1-NZ 2.77Å; E256-K264 PolarHBondContact OE1-NZ 2.95Å; S260-K264 PolarHBondContact O-N 3.14Å; L261-K264 PolarHBondContact O-N 2.71Å; K264-N267 PolarHBondContact O-N 2.7Å; K264-K268 PolarHBondContact O-N 3.05Å
265K66.5Low60.3Low136 Ų136126.1 Ų126.159%0.59160%0.604SS**Hα-helixtrans-65.9-41.5176.3-79-172.2177.6-174.30112.6L261 L262 R263 N267 K268L261-K265 PolarHBondContact O-N 2.68Å; L262-K265 PolarHBondContact O-N 3.14Å; R263-K265 PolarHBondContact O-N 3.16Å; K265-N267 VanDerWaalsContact C-N 3.33Å; K265-N267 PolarHBondContact O-N 3.03Å; K265-K268 PolarHBondContact O-N 2.99Å
266A61.2Low59.6Low61 Ų61125.6 Ų125.650%0.50460%0.602SS.*Hα-helixtrans-62.3-40.2177.500000111.9L262 R263 K268 H269L262-A266 WeakPolarHBondContact O-CB 3.49Å; L262-A266 PolarHBondContact O-N 3.5Å; R263-A266 PolarHBondContact O-N 2.91Å; A266-K268 PolarHBondContact O-N 2.89Å; A266-H269 PolarHBondContact O-N 3.3Å
267N57.3Low58.7Low105 Ų105132.8 Ų132.856%0.56163%0.625SS**Hα-helixtrans-69.2-31178.1-97-8.9000113.8R263 K264 K265 H269 K270 V271R263-N267 PolarHBondContact O-N 3.09Å; R263-N267 VanDerWaalsContact O-N 3.1Å; K264-N267 PolarHBondContact O-N 2.7Å; K265-N267 VanDerWaalsContact C-N 3.33Å; K265-N267 PolarHBondContact O-N 3.03Å; N267-H269 PolarHBondContact O-N 3.29Å; N267-K270 PolarHBondContact O-N 3.5Å; N267-K270 VanDerWaalsContact O-N 3.11Å; N267-V271 PolarHBondContact O-N 2.77Å
268K56.2Low57.5Low168 Ų168140.9 Ų140.973%0.7366%0.655SS**Hα-helixtrans-59-32.4175.2-87.6-172.2174.9-175.50113K264 K265 A266K264-K268 PolarHBondContact O-N 3.05Å; K265-K268 PolarHBondContact O-N 2.99Å; A266-K268 PolarHBondContact O-N 2.89Å
269H54.9Low57Low154 Ų154139 Ų13971%0.71365%0.649SS**Hα-helixtrans-72.5-35.3176.3-82.5-71.8000112.8A266 N267A266-H269 PolarHBondContact O-N 3.3Å; N267-H269 PolarHBondContact O-N 3.29Å
270K52.5Low56.3Low144 Ų144144.3 Ų144.363%0.62667%0.667SS**Hα-helixtrans-68.2-36.3177-75.6-169.8176.7-175.70112.9N267 K272 T273N267-K270 PolarHBondContact O-N 3.5Å; N267-K270 VanDerWaalsContact O-N 3.11Å; K270-K272 VanDerWaalsContact C-N 3.31Å; K270-K272 PolarHBondContact O-N 2.82Å; K270-T273 PolarHBondContact O-N 3.3Å; K270-T273 PolarHBondContact O-OG1 2.88Å
271V52.9Low55.6Low87 Ų87149.9 Ų149.953%0.52769%0.687SS.*Hα-helixtrans-64.7-35.7-179.1-179.80000111.5N267 T273 C274 W275N267-V271 PolarHBondContact O-N 2.77Å; V271-T273 VanDerWaalsContact C-N 3.31Å; V271-T273 PolarHBondContact O-N 3.03Å; V271-C274 PolarHBondContact O-N 3.17Å; V271-W275 VanDerWaalsContact O-CD1 3.3Å
272K50.8Low55Low180 Ų180154.2 Ų154.278%0.78370%0.704SS**Hα-helixtrans-69-24.9178.7-86.9-169.9174-173.80114.2K270K270-K272 VanDerWaalsContact C-N 3.31Å; K270-K272 PolarHBondContact O-N 2.82Å
273T52Low54Low101 Ų101156.4 Ų156.462%0.6271%0.709SS**Hα-helixtrans-84.2-20.1-179.945.80000113.8K270 V271 W275K270-T273 PolarHBondContact O-N 3.3Å; K270-T273 PolarHBondContact O-OG1 2.88Å; V271-T273 VanDerWaalsContact C-N 3.31Å; V271-T273 PolarHBondContact O-N 3.03Å; T273-W275 VanDerWaalsContact C-N 3.33Å; T273-W275 PolarHBondContact O-N 3.2Å
274C46Very low52.9Low99 Ų99154.8 Ų154.867%0.66971%0.711SS**Hα-helixtrans-74.6-20.1-179.9-69.70000113.9V271V271-C274 PolarHBondContact O-N 3.17Å
275W44Very low51.9Low220 Ų220157.4 Ų157.483%0.83372%0.724SS**THydrogen-bonded Turntrans-87.90.4-179.6-67.792.5000114.6V271 T273V271-W275 VanDerWaalsContact O-CD1 3.3Å; T273-W275 VanDerWaalsContact C-N 3.33Å; T273-W275 PolarHBondContact O-N 3.2Å
276R45.1Very low50.8Low231 Ų231159 Ų15987%0.87274%0.735SS**THydrogen-bonded Turntrans-96.817.5177.5-87.4-165.6175.7-158.2-0.7114.7
277R45Very low50Low235 Ų235167.2 Ų167.289%0.88775%0.754SS**  trans-130.978.1170-69.6-173.2-173.6170.21110.1
278K42.7Very low49.3Very low282 Ų282172.8 Ų172.8100%1.22677%0.771SS**  trans-147.30153.4-87-164.7177-178.20107.9

Retrieved 278 of 278 residues in 286.2 ms (Link to these results)