A0A061IIP4_CRIGR Loading...

BolA-like protein 1

Acts as a mitochondrial iron-sulfur (Fe-S) cluster assembly factor that facilitates (Fe-S) cluster insertion into a subset of mitochondrial proteins. Probably acts together with the monothiol glutaredoxin GLRX5. May protect cells against oxidative stress.

AlphaFold DB , UniProt , Accession A0A061IIP4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Bola1, Length 137 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
1M51.2Low52.5Low240 Ų240158.9 Ų158.9100%1.18284%0.843SS**  0131.80-73.5-82.4-175.500107.3
2L45.2Very low52.6Low154 Ų154155 Ų15581%0.80683%0.833SS**  trans76.4105.1-175.9-93.857.8000116
3R48.7Very low52.5Low233 Ų233157.8 Ų157.888%0.87984%0.841SS**  63.7113.280.2-70.3-177.4152.6167.2-4.5110.4
4A51.8Low52.6Low88 Ų88153.1 Ų153.173%0.72784%0.836SS**  154.5154.186.200000104.6
5Q55.5Low52.6Low175 Ų175151.3 Ų151.382%0.81883%0.831SS**  cis-158.3126.19.3-164.894.46.600103.8A7Q5-A7 PolarHBondContact O-N 3.08Å
6L53.2Low52.6Low165 Ų165156.8 Ų156.886%0.86484%0.836SS**  trans-71.3111.5166.2-77.1102.1000108.2R8L6-R8 PolarHBondContact O-N 3.47Å
7A56.4Low52.8Low94 Ų94153.2 Ų153.278%0.77783%0.834SS**  trans-75.693.4167.400000108.7Q5 C9Q5-A7 PolarHBondContact O-N 3.08Å; A7-C9 PolarHBondContact O-N 3.38Å; A7-C9 VanDerWaalsContact O-N 3.12Å
8R56.8Low52.1Low222 Ų222151.7 Ų151.784%0.83884%0.835SS**  trans-67.893.7162-71175.2158.6-170.1-6.2108.2L6 T10L6-R8 PolarHBondContact O-N 3.47Å; R8-T10 PolarHBondContact O-N 3.45Å
9C45.7Very low52.1Low121 Ų121149 Ų14982%0.81883%0.834SS**  trans-81.592.8161.1-83.10000108.4A7 V11A7-C9 PolarHBondContact O-N 3.38Å; A7-C9 VanDerWaalsContact O-N 3.12Å; C9-V11 PolarHBondContact O-N 3.26Å
10T58.1Low51.5Low124 Ų124146.2 Ų146.276%0.76183%0.825SS**  trans-65.1118.5165.644.90000109.5R8R8-T10 PolarHBondContact O-N 3.45Å
11V55.1Low51.2Low132 Ų132150.7 Ų150.780%0.883%0.829SS**  trans-66.4125.4171.4-174.90000108.5C9 M13C9-V11 PolarHBondContact O-N 3.26Å; V11-M13 PolarHBondContact O-N 3.17Å
12P54Low50.8Low112 Ų112145.8 Ų145.873%0.72781%0.807SS**  trans-73115.9170.929.3-29.6000108.4A14P12-A14 VanDerWaalsContact C-N 3.25Å; P12-A14 PolarHBondContact O-N 3.31Å
13M50.7Low50.5Low191 Ų191143.6 Ų143.694%0.94181%0.805SS**  trans-66.986.3166.7-168.4-177.217000108V11 T15V11-M13 PolarHBondContact O-N 3.17Å; M13-T15 PolarHBondContact O-N 2.92Å; M13-T15 VanDerWaalsContact O-N 3.16Å
14A54.6Low50.2Low92 Ų92136.2 Ų136.276%0.7679%0.794SS**  trans-75.5103.2172.300000109.1P12P12-A14 VanDerWaalsContact C-N 3.25Å; P12-A14 PolarHBondContact O-N 3.31Å
15T52.3Low49.6Very low126 Ų126135.1 Ų135.177%0.77379%0.791SS**  trans-24.5125.2160.3430000116.2M13M13-T15 PolarHBondContact O-N 2.92Å; M13-T15 VanDerWaalsContact O-N 3.16Å
16R52.9Low48.9Very low239 Ų239133 Ų13390%0.90280%0.795SS**  trans55.4106.8135.8-120.3172.8161.3-163.9-6.9117.5C18R16-C18 PolarHBondContact O-N 3.21Å; R16-C18 VanDerWaalsContact O-N 3.11Å
17A54.8Low48.4Very low97 Ų97127 Ų12780%0.80277%0.77SS**  trans-53.4109.9160.200000111.3
18C41.1Very low48.2Very low126 Ų126127.7 Ų127.785%0.85178%0.775SS**  trans-95.280.1154.6-93.80000107.6R16R16-C18 PolarHBondContact O-N 3.21Å; R16-C18 VanDerWaalsContact O-N 3.11Å
19A51.6Low48.5Very low100 Ų100118.9 Ų118.983%0.82675%0.754SS**  trans-100.165.9162.700000108.4
20S40.9Very low50.1Low93 Ų93114.3 Ų114.365%0.6573%0.728SS**  trans-121.383.8161.756.20000106.3D22S20-D22 PolarHBondContact O-N 3.49Å
21R44.8Very low51.2Low241 Ų241113.4 Ų113.491%0.90972%0.724SS**  trans-60.787.6152-88.8176.1158.2-163.4-5.5105.6S23R21-S23 PolarHBondContact O-N 3.12Å
22D42.3Very low52.5Low136 Ų136108 Ų10873%0.72769%0.691SS**  trans-65.690.3157.6-174.6-112.1000105.1S20 A24S20-D22 PolarHBondContact O-N 3.49Å; D22-A24 PolarHBondContact O-N 2.92Å; D22-A24 WeakPolarHBondContact OD1-CB 3.33Å
23S40Very low54Low109 Ų109103.5 Ų103.576%0.76266%0.66SS**  trans-67.575.8161.7-65.50000106R21 G25R21-S23 PolarHBondContact O-N 3.12Å; S23-G25 PolarHBondContact O-N 2.83Å
24A41Very low55.6Low78 Ų7896.6 Ų96.665%0.64563%0.633SS**  trans-61.881.4161.700000106.9D22 S26D22-A24 PolarHBondContact O-N 2.92Å; D22-A24 WeakPolarHBondContact OD1-CB 3.33Å; A24-S26 PolarHBondContact O-N 2.84Å; A24-S26 VanDerWaalsContact O-N 3.08Å
25G39.6Very low57.1Low64 Ų6493.7 Ų93.766%0.6661%0.61SS**  trans-56.3113.8162.100000106.7S23 A27S23-G25 PolarHBondContact O-N 2.83Å; G25-A27 VanDerWaalsContact C-N 3.3Å; G25-A27 PolarHBondContact O-N 3.1Å
26S40.7Very low58.8Low130 Ų13088 Ų8891%0.90957%0.574SS**  trans-53.386.4178.2-174.90000111A24A24-S26 PolarHBondContact O-N 2.84Å; A24-S26 VanDerWaalsContact O-N 3.08Å
27A44.2Very low60.5Low40 Ų4079.7 Ų79.733%0.33154%0.543SS..  trans-101.6109.2176.700000108.5G25 G29G25-A27 VanDerWaalsContact C-N 3.3Å; G25-A27 PolarHBondContact O-N 3.1Å; A27-G29 PolarHBondContact O-N 3.32Å
28A51.8Low62.1Low108 Ų10876.8 Ų76.889%0.89352%0.519SS*.  trans-72.764.9178.400000111.6
29G62.1Low64.4Low37 Ų3773.9 Ų73.938%0.38149%0.492SS..SBendtrans-157.4164.5-174.300000113.2A27 E33A27-G29 PolarHBondContact O-N 3.32Å; G29-E33 VanDerWaalsContact CA-OE1 3.27Å; G29-E33 WeakPolarHBondContact CA-OE1 3.41Å
30G79.4Confident66.1Low26 Ų2669.1 Ų69.127%0.26845%0.452SS..  trans-68.3171.2176.500000113.7V32 E33 A34G30-V32 VanDerWaalsContact C-N 3.28Å; G30-V32 PolarHBondContact O-N 3.35Å; G30-E33 WeakPolarHBondContact O-CB 3.35Å; G30-E33 PolarHBondContact O-N 2.95Å; G30-A34 PolarHBondContact O-N 3.11Å; G30-A34 VanDerWaalsContact O-N 3.08Å
31P81.3Confident68.4Low105 Ų10569.1 Ų69.168%0.68244%0.442SS*.Hα-helixtrans-62.2-34.9-179.525.9-33.5000112.6A35P31-A35 PolarHBondContact O-N 2.68Å
32V82.1Confident70.5Confident19 Ų1964.9 Ų64.912%0.11543%0.433CS..Hα-helixtrans-68.2-42.1176-179.70000110.7G30 A34 A35 I36 F68 P100 V101G30-V32 VanDerWaalsContact C-N 3.28Å; G30-V32 PolarHBondContact O-N 3.35Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.83Å; V32-A35 PolarHBondContact O-N 3.08Å; V32-I36 HydrophobicContact CG1-CD1 3.92Å; V32-I36 HydrophobicContact CG1-CG1 4.5Å; V32-I36 WeakPolarHBondContact O-CG1 3.49Å; V32-I36 PolarHBondContact O-N 3.24Å; V32-F68 HydrophobicContact CB-CZ 4.24Å; V32-F68 HydrophobicContact CG1-CE2 3.92Å; V32-F68 HydrophobicContact CG1-CZ 4Å; V32-P100 HydrophobicContact CG1-CG 4.22Å; V32-P100 HydrophobicContact CG2-CG 3.94Å; V32-V101 HydrophobicContact CG1-CG2 3.8Å
33E85.8Confident72.6Confident17 Ų1760.7 Ų60.78%0.07942%0.417CS..Hα-helixtrans-58.4-47176.8-169.5-178.7110.900111.6G29 G30 A35 I36 R37 L51 F68G29-E33 VanDerWaalsContact CA-OE1 3.27Å; G29-E33 WeakPolarHBondContact CA-OE1 3.41Å; G30-E33 WeakPolarHBondContact O-CB 3.35Å; G30-E33 PolarHBondContact O-N 2.95Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 2.77Å; E33-I36 PolarHBondContact O-N 3.23Å; E33-R37 WeakPolarHBondContact O-CB 3.29Å; E33-R37 PolarHBondContact O-N 2.77Å; E33-L51 HydrophobicContact CB-CD2 4.24Å; E33-L51 HydrophobicContact CG-CB 4.34Å; E33-L51 HydrophobicContact CG-CD2 3.25Å; E33-L51 HydrophobicContact CG-CG 3.57Å; E33-L51 WeakPolarHBondContact O-CD2 3.47Å; E33-F68 HydrophobicContact CB-CE1 4.45Å
34A85.4Confident74.7Confident45 Ų4556 Ų5637%0.37238%0.383SS..Hα-helixtrans-61.7-41.6178.600000112.2G30 V32 R37 A38G30-A34 PolarHBondContact O-N 3.11Å; G30-A34 VanDerWaalsContact O-N 3.08Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.83Å; A34-R37 PolarHBondContact O-N 2.75Å; A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.87Å
35A86.1Confident76.9Confident32 Ų3256.4 Ų56.426%0.26438%0.381SS..Hα-helixtrans-62.2-47.2176.700000112P31 V32 E33 R37 A38 K39P31-A35 PolarHBondContact O-N 2.68Å; V32-A35 PolarHBondContact O-N 3.08Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 2.77Å; A35-R37 PolarHBondContact O-N 3.24Å; A35-A38 PolarHBondContact O-N 2.93Å; A35-K39 WeakPolarHBondContact O-CG 3.35Å; A35-K39 PolarHBondContact O-N 3.05Å
36I87.3Confident79.3Confident5 Ų554.5 Ų54.53%0.02636%0.358CS..Hα-helixtrans-59.8-48.5177.2-67.9168.2000110.5V32 E33 A38 K39 L40 L51 F68 L93 E96 V101V32-I36 HydrophobicContact CG1-CD1 3.92Å; V32-I36 HydrophobicContact CG1-CG1 4.5Å; V32-I36 WeakPolarHBondContact O-CG1 3.49Å; V32-I36 PolarHBondContact O-N 3.24Å; E33-I36 PolarHBondContact O-N 3.23Å; I36-A38 PolarHBondContact O-N 2.88Å; I36-K39 PolarHBondContact O-N 3.03Å; I36-L40 HydrophobicContact CG2-CD1 3.83Å; I36-L40 HydrophobicContact CG2-CG 4.46Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.48Å; I36-L40 PolarHBondContact O-N 3.07Å; I36-L51 HydrophobicContact CB-CD2 4.02Å; I36-L51 HydrophobicContact CG2-CD1 4.2Å; I36-L51 HydrophobicContact CG2-CD2 3.86Å; I36-F68 HydrophobicContact CD1-CD2 4.36Å; I36-F68 HydrophobicContact CD1-CG 4.5Å; I36-L93 HydrophobicContact CB-CD2 4.25Å; I36-L93 HydrophobicContact CG1-CD2 4.3Å; I36-L93 HydrophobicContact CG2-CD1 3.98Å; I36-L93 HydrophobicContact CG2-CD2 3.83Å; I36-E96 HydrophobicContact CG1-CB 4.48Å; I36-E96 HydrophobicContact CG1-CG 4.41Å; I36-V101 HydrophobicContact CD1-CG2 4.14Å
37R88.8Confident81.6Confident65 Ų6554.1 Ų54.125%0.24534%0.341CS..Hα-helixtrans-56.2-52.2177.9172.1176.3-72.9173.5-2.4111E33 A34 A35 K39 L40 E41 L49 L51E33-R37 WeakPolarHBondContact O-CB 3.29Å; E33-R37 PolarHBondContact O-N 2.77Å; A34-R37 PolarHBondContact O-N 2.75Å; A35-R37 PolarHBondContact O-N 3.24Å; R37-K39 VanDerWaalsContact C-N 3.34Å; R37-K39 PolarHBondContact O-N 3.33Å; R37-L40 PolarHBondContact O-N 3.33Å; R37-E41 WeakPolarHBondContact CD-OE1 3.5Å; R37-E41 HydrophobicContact CG-CG 4.28Å; R37-E41 VanDerWaalsContact CG-OE1 3.26Å; R37-E41 WeakPolarHBondContact CG-OE1 3.38Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 3.24Å; R37-L49 HydrophobicContact CB-CD2 4.17Å; R37-L49 HydrophobicContact CG-CD1 4.33Å; R37-L49 HydrophobicContact CG-CD2 3.71Å; R37-L51 HydrophobicContact CB-CD2 4.22Å
38A88.7Confident83.6Confident36 Ų3654.3 Ų54.330%0.29834%0.338SS..Hα-helixtrans-59.7-42.6-177.300000112.3A34 A35 I36 E41 Q42A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.87Å; A35-A38 PolarHBondContact O-N 2.93Å; I36-A38 PolarHBondContact O-N 2.88Å; A38-E41 PolarHBondContact O-N 3.06Å; A38-Q42 WeakPolarHBondContact O-CB 3.41Å; A38-Q42 WeakPolarHBondContact O-CG 3.06Å; A38-Q42 PolarHBondContact O-N 3.27Å
39K88.3Confident85.4Confident65 Ų6550.4 Ų50.428%0.28330%0.302SS..Hα-helixtrans-62.9-42.9176.8-71.7-85.4-167.2164.30111.9A35 I36 R37 Q42 A43 L93 E95A35-K39 WeakPolarHBondContact O-CG 3.35Å; A35-K39 PolarHBondContact O-N 3.05Å; I36-K39 PolarHBondContact O-N 3.03Å; R37-K39 VanDerWaalsContact C-N 3.34Å; R37-K39 PolarHBondContact O-N 3.33Å; K39-Q42 PolarHBondContact O-N 2.92Å; K39-A43 VanDerWaalsContact O-CB 3.25Å; K39-A43 WeakPolarHBondContact O-CB 3.44Å; K39-A43 PolarHBondContact O-N 3.15Å; K39-L93 HydrophobicContact CB-CD2 4.2Å; K39-E95 IonicContact NZ-OE1 3.64Å; K39-E95 IonicContact NZ-OE2 3.83Å; K39-E95 PolarHBondContact NZ-OE2 3.26Å
40L88.5Confident86.6Confident0 Ų052.1 Ų52.10%030%0.3CS..Hα-helixtrans-68.7-39.6178.7-67.4173000112.2I36 R37 Q42 A43 L44 L49 V70 V89 L93I36-L40 HydrophobicContact CG2-CD1 3.83Å; I36-L40 HydrophobicContact CG2-CG 4.46Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.48Å; I36-L40 PolarHBondContact O-N 3.07Å; R37-L40 PolarHBondContact O-N 3.33Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.26Å; L40-A43 PolarHBondContact O-N 3.17Å; L40-L44 HydrophobicContact CD2-CD1 3.73Å; L40-L44 WeakPolarHBondContact O-CB 3.24Å; L40-L44 PolarHBondContact O-N 3.49Å; L40-L49 HydrophobicContact CB-CD1 3.8Å; L40-L49 HydrophobicContact CD1-CD1 4.32Å; L40-V70 HydrophobicContact CD1-CG2 3.62Å; L40-V89 HydrophobicContact CD2-CG1 3.96Å; L40-L93 HydrophobicContact CD1-CD1 4.34Å; L40-L93 HydrophobicContact CD2-CD1 4.09Å; L40-L93 HydrophobicContact CD2-CD2 4.18Å; L40-L93 HydrophobicContact CD2-CG 4.05Å; L40-L93 HydrophobicContact CG-CD1 4.42Å; L40-L93 HydrophobicContact CG-CD2 4.11Å; L40-L93 HydrophobicContact CG-CG 4.46Å
41E88.9Confident87Confident93 Ų9351.4 Ų51.444%0.43529%0.29SS..Hα-helixtrans-60.8-43.8174.2-73.8175.8178.700111.5R37 A38 S45 L49R37-E41 WeakPolarHBondContact CD-OE1 3.5Å; R37-E41 HydrophobicContact CG-CG 4.28Å; R37-E41 VanDerWaalsContact CG-OE1 3.26Å; R37-E41 WeakPolarHBondContact CG-OE1 3.38Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 3.24Å; A38-E41 PolarHBondContact O-N 3.06Å; E41-S45 VanDerWaalsContact O-CA 3.24Å; E41-S45 WeakPolarHBondContact O-CA 3.49Å; E41-S45 PolarHBondContact O-N 3.13Å; E41-S45 PolarHBondContact O-OG 3.23Å; E41-L49 HydrophobicContact CG-CD1 4.05Å
42Q87.5Confident87Confident152 Ų15253.6 Ų53.671%0.7129%0.285SS*.Hα-helixtrans-69.1-41.1178.6-71.4168.329.800112.7A38 K39 L40A38-Q42 WeakPolarHBondContact O-CB 3.41Å; A38-Q42 WeakPolarHBondContact O-CG 3.06Å; A38-Q42 PolarHBondContact O-N 3.27Å; K39-Q42 PolarHBondContact O-N 2.92Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.26Å
43A87.4Confident86.9Confident48 Ų4855.7 Ų55.740%0.39730%0.295SS..Hα-helixtrans-81-38.3-175.100000113.5K39 L40 A92K39-A43 VanDerWaalsContact O-CB 3.25Å; K39-A43 WeakPolarHBondContact O-CB 3.44Å; K39-A43 PolarHBondContact O-N 3.15Å; L40-A43 PolarHBondContact O-N 3.17Å; A43-A92 HydrophobicContact CB-CB 4.04Å
44L84.9Confident86.4Confident11 Ų1158.2 Ų58.26%0.05831%0.307CS..Hα-helixtrans-118-14.9-166.6-62.9160.8000113.7L40 V72 S74 F77 V89L40-L44 HydrophobicContact CD2-CD1 3.73Å; L40-L44 WeakPolarHBondContact O-CB 3.24Å; L40-L44 PolarHBondContact O-N 3.49Å; L44-V72 HydrophobicContact CD1-CG2 4.33Å; L44-S74 PolarHBondContact O-OG 3.43Å; L44-S74 VanDerWaalsContact O-OG 3.05Å; L44-F77 HydrophobicContact CD1-CZ 4.14Å; L44-F77 HydrophobicContact CD2-CE1 3.97Å; L44-F77 HydrophobicContact CD2-CZ 4.07Å; L44-V89 HydrophobicContact CD1-CG2 3.94Å
45S86.1Confident85.4Confident86 Ų8657.1 Ų57.160%0.60130%0.297SS*.  trans37.759.9-175.8-54.30000112.8E41E41-S45 VanDerWaalsContact O-CA 3.24Å; E41-S45 WeakPolarHBondContact O-CA 3.49Å; E41-S45 PolarHBondContact O-N 3.13Å; E41-S45 PolarHBondContact O-OG 3.23Å
46P89.1Confident83.9Confident25 Ų2559.3 Ų59.316%0.16232%0.323CS..  trans-70.1151.4-176.431.7-34.4000111.9L49 V72 V73P46-L49 HydrophobicContact CG-CB 4Å; P46-L49 HydrophobicContact CG-CD1 3.98Å; P46-V72 HydrophobicContact CB-CG2 3.6Å; P46-V72 HydrophobicContact CG-CG2 3.97Å; P46-V73 CarbonylContact C-O 3.58Å; P46-V73 WeakPolarHBondContact CA-O 3.14Å; P46-V73 WeakPolarHBondContact CB-O 3.21Å
47E89.1Confident82.3Confident122 Ų12262.1 Ų62.157%0.5735%0.353SS*.SBendtrans-74.4-35.2171.6-70.1177.5-133.900111.3V73E47-V73 PolarHBondContact N-O 2.6Å
48V87.9Confident80.6Confident43 Ų4364.8 Ų64.826%0.26137%0.368SS..EExtended strand (participates in β ladder)trans-132.7127.6177.1-174.90000108.8V73 W114V48-V73 HydrophobicContact CB-CB 3.86Å; V48-V73 HydrophobicContact CB-CG2 3.87Å; V48-V73 HydrophobicContact CG1-CG2 4.5Å; V48-V73 HydrophobicContact CG2-CB 4.41Å; V48-V73 PolarHBondContact N-O 3.39Å; V48-V73 PolarHBondContact O-N 3.18Å; V48-W114 HydrophobicContact CG1-CZ2 3.99Å
49L88.9Confident78.6Confident26 Ų2668.7 Ų68.714%0.13640%0.4CS..EExtended strand (participates in β ladder)trans-129.8113.6174.5-176.5150.6000109.4R37 L40 E41 P46 L51 A71R37-L49 HydrophobicContact CB-CD2 4.17Å; R37-L49 HydrophobicContact CG-CD1 4.33Å; R37-L49 HydrophobicContact CG-CD2 3.71Å; L40-L49 HydrophobicContact CB-CD1 3.8Å; L40-L49 HydrophobicContact CD1-CD1 4.32Å; E41-L49 HydrophobicContact CG-CD1 4.05Å; P46-L49 HydrophobicContact CG-CB 4Å; P46-L49 HydrophobicContact CG-CD1 3.98Å; L49-L51 HydrophobicContact CD2-CB 4.23Å; L49-A71 WeakPolarHBondContact CA-O 3.47Å
50E87.7Confident76.9Confident74 Ų7468.3 Ų68.335%0.34640%0.403SS..EExtended strand (participates in β ladder)trans-113.3125173.3-78.4-79.3146.200108R52 V70 A71 L120E50-R52 IonicContact OE2-NE 3.09Å; E50-R52 IonicContact OE2-NH2 3.81Å; E50-V70 CarbonylContact O-C 3.45Å; E50-V70 WeakPolarHBondContact O-CA 3.38Å; E50-A71 HydrophobicContact CB-CB 4.22Å; E50-A71 PolarHBondContact N-O 3.5Å; E50-A71 PolarHBondContact O-N 2.94Å; E50-L120 HydrophobicContact CB-CD1 3.89Å; E50-L120 HydrophobicContact CG-CD1 4.23Å
51L86.3Confident75.3Confident10 Ų1073.1 Ų73.15%0.05243%0.434CS..EExtended strand (participates in β ladder)trans-129.8127.3178.6-176.561.8000107.4E33 I36 R37 L49 R69 V70E33-L51 HydrophobicContact CB-CD2 4.24Å; E33-L51 HydrophobicContact CG-CB 4.34Å; E33-L51 HydrophobicContact CG-CD2 3.25Å; E33-L51 HydrophobicContact CG-CG 3.57Å; E33-L51 WeakPolarHBondContact O-CD2 3.47Å; I36-L51 HydrophobicContact CB-CD2 4.02Å; I36-L51 HydrophobicContact CG2-CD1 4.2Å; I36-L51 HydrophobicContact CG2-CD2 3.86Å; R37-L51 HydrophobicContact CB-CD2 4.22Å; L49-L51 HydrophobicContact CD2-CB 4.23Å; L51-R69 WeakPolarHBondContact CA-O 3.33Å; L51-V70 HydrophobicContact CB-CG2 4.5Å; L51-V70 HydrophobicContact CD1-CB 3.64Å; L51-V70 HydrophobicContact CD1-CG2 3.86Å
52R83Confident73.5Confident152 Ų15274.1 Ų74.157%0.57446%0.459SS*.EExtended strand (participates in β ladder)trans-137.4137.2-177.1-67.9-173.1178.7-129.4-2.1110.5E50 R69E50-R52 IonicContact OE2-NE 3.09Å; E50-R52 IonicContact OE2-NH2 3.81Å; R52-R69 PolarHBondContact N-O 2.83Å; R52-R69 PolarHBondContact O-N 2.86Å
53N79.4Confident71.9Confident63 Ų6370.1 Ų70.134%0.33746%0.458SS..EExtended strand (participates in β ladder)trans-86.8121.2173-174.3-28.3000110.1S55 H67 F68N53-S55 WeakPolarHBondContact OD1-CB 3.45Å; N53-S55 PolarHBondContact OD1-N 3.37Å; N53-S55 PolarHBondContact OD1-OG 2.99Å; N53-H67 PolarHBondContact OD1-O 2.92Å; N53-F68 HydrophobicContact CB-CD1 4.08Å; N53-F68 HydrophobicContact CB-CE1 3.91Å
54E74.6Confident70.5Confident69 Ų6969.1 Ų69.132%0.32245%0.448SS..  trans-111.220.6179.7-70.2-168.1127.800112.9G56 G57 H67 R69E54-G56 PolarHBondContact O-N 2.9Å; E54-G57 PolarHBondContact O-N 3.47Å; E54-H67 PolarHBondContact N-O 2.84Å; E54-R69 VanDerWaalsContact CD-NE 3.27Å; E54-R69 HydrophobicContact CG-CB 4.4Å; E54-R69 IonicContact OE1-CZ 3.31Å; E54-R69 IonicContact OE1-NE 2.7Å; E54-R69 PolarHBondContact OE1-NE 3.44Å; E54-R69 IonicContact OE1-NH2 3.44Å; E54-R69 PolarHBondContact OE1-NH2 2.9Å; E54-R69 IonicContact OE2-CZ 2.77Å; E54-R69 IonicContact OE2-NE 3.45Å; E54-R69 PolarHBondContact OE2-NE 3Å; E54-R69 IonicContact OE2-NH2 2.71Å; E54-R69 PolarHBondContact OE2-NH2 3.47Å
55S64.1Low69.6Low22 Ų2271 Ų7115%0.15446%0.457CS..G310 helixtrans-54.9-21.4-179.3540000115.9N53 G57 V60 S64N53-S55 WeakPolarHBondContact OD1-CB 3.45Å; N53-S55 PolarHBondContact OD1-N 3.37Å; N53-S55 PolarHBondContact OD1-OG 2.99Å; S55-G57 VanDerWaalsContact C-N 3.28Å; S55-G57 PolarHBondContact O-N 3.43Å; S55-V60 VanDerWaalsContact O-CG2 3.27Å; S55-V60 WeakPolarHBondContact O-CG2 3.21Å; S55-S64 WeakPolarHBondContact CB-O 3.42Å
56G56.3Low68.8Low79 Ų7968.1 Ų68.181%0.81444%0.436SS*.G310 helixtrans-73.5-5.5-17600000116.5E54E54-G56 PolarHBondContact O-N 2.9Å
57G53.4Low68.3Low64 Ų6470 Ų7066%0.6644%0.442SS*.G310 helixtrans-84.1-10.1-175.900000115.8E54 S55E54-G57 PolarHBondContact O-N 3.47Å; S55-G57 VanDerWaalsContact C-N 3.28Å; S55-G57 PolarHBondContact O-N 3.43Å
58H53.3Low68.1Low120 Ų12064.4 Ų64.456%0.55642%0.416SS*.SBendtrans-122.2155.9-178.8-67.7-59.5000110.4V60H58-V60 HydrophobicContact CB-CG2 4.23Å; H58-V60 WeakPolarHBondContact O-CG2 3.37Å; H58-V60 PolarHBondContact O-N 3.5Å
59A46.7Very low67.9Low119 Ų11963.4 Ų63.498%0.98341%0.407SS*.SBendtrans-68.654.3175.300000111.6
60V52.8Low67.9Low56 Ų5662.1 Ų62.134%0.33940%0.401SS..SBendtrans-103.6148.8171.7-76.90000108.6S55 H58 A62S55-V60 VanDerWaalsContact O-CG2 3.27Å; S55-V60 WeakPolarHBondContact O-CG2 3.21Å; H58-V60 HydrophobicContact CB-CG2 4.23Å; H58-V60 WeakPolarHBondContact O-CG2 3.37Å; H58-V60 PolarHBondContact O-N 3.5Å; V60-A62 PolarHBondContact O-N 3.35Å
61P54.2Low68Low101 Ų10158.8 Ų58.866%0.65639%0.386SS*.PPolyproline II helixtrans-54.5137.9177.9-2332.3000111.4G63 S64P61-G63 PolarHBondContact O-N 3.18Å; P61-G63 VanDerWaalsContact O-N 3.13Å; P61-S64 WeakPolarHBondContact O-CB 3.35Å; P61-S64 PolarHBondContact O-N 3.05Å; P61-S64 PolarHBondContact O-OG 2.94Å
62A50.3Low68.2Low114 Ų11458.3 Ų58.394%0.94238%0.383SS*.THydrogen-bonded Turntrans-53.3118.2174.200000109.9V60V60-A62 PolarHBondContact O-N 3.35Å
63G54.5Low68.6Low68 Ų6851.1 Ų51.170%0.70136%0.356SS*.THydrogen-bonded Turntrans107.34.3-17500000115.1P61 E65P61-G63 PolarHBondContact O-N 3.18Å; P61-G63 VanDerWaalsContact O-N 3.13Å; G63-E65 PolarHBondContact O-N 2.83Å
64S58.4Low69.1Low27 Ų2748.2 Ų48.219%0.18934%0.341CS..  trans-77100.2174.1-62.10000110.5S55 P61 T66S55-S64 WeakPolarHBondContact CB-O 3.42Å; P61-S64 WeakPolarHBondContact O-CB 3.35Å; P61-S64 PolarHBondContact O-N 3.05Å; P61-S64 PolarHBondContact O-OG 2.94Å; S64-T66 PolarHBondContact O-N 3.05Å; S64-T66 PolarHBondContact O-OG1 2.9Å
65E66.3Low69.9Low51 Ų5148 Ų4824%0.23835%0.347CS..THydrogen-bonded Turntrans-72.351.8175.1-71.3-175.7109.800112.5G63 F68G63-E65 PolarHBondContact O-N 2.83Å; E65-F68 HydrophobicContact CB-CE2 3.82Å; E65-F68 HydrophobicContact CB-CZ 3.62Å; E65-F68 HydrophobicContact CG-CZ 3.96Å; E65-F68 WeakPolarHBondContact O-CE2 3.41Å
66T69.6Low71Confident25 Ų2554.1 Ų54.115%0.15337%0.367CS..THydrogen-bonded Turntrans-94.6-31.2-172.649.70000113.1S64 H102 A103S64-T66 PolarHBondContact O-N 3.05Å; S64-T66 PolarHBondContact O-OG1 2.9Å; T66-H102 HydrophobicContact CG2-CB 4.49Å; T66-H102 PolarHBondContact O-N 3.07Å; T66-H102 VanDerWaalsContact O-N 3.11Å; T66-A103 PolarHBondContact O-N 2.81Å
67H78.7Confident72.4Confident65 Ų6550.4 Ų50.430%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-119.9114.8-178.2-70.9-93000111.4N53 E54 A103N53-H67 PolarHBondContact OD1-O 2.92Å; E54-H67 PolarHBondContact N-O 2.84Å; H67-A103 WeakPolarHBondContact CA-O 3.2Å
68F83Confident74Confident5 Ų553.8 Ų53.82%0.02233%0.327CS..EExtended strand (participates in β ladder)trans-116.3149.4175.1-71.8-79.7000111.3V32 E33 I36 N53 E65 V101 A103 L104 A105V32-F68 HydrophobicContact CB-CZ 4.24Å; V32-F68 HydrophobicContact CG1-CE2 3.92Å; V32-F68 HydrophobicContact CG1-CZ 4Å; E33-F68 HydrophobicContact CB-CE1 4.45Å; I36-F68 HydrophobicContact CD1-CD2 4.36Å; I36-F68 HydrophobicContact CD1-CG 4.5Å; N53-F68 HydrophobicContact CB-CD1 4.08Å; N53-F68 HydrophobicContact CB-CE1 3.91Å; E65-F68 HydrophobicContact CB-CE2 3.82Å; E65-F68 HydrophobicContact CB-CZ 3.62Å; E65-F68 HydrophobicContact CG-CZ 3.96Å; E65-F68 WeakPolarHBondContact O-CE2 3.41Å; F68-V101 HydrophobicContact CD2-CG1 3.98Å; F68-V101 HydrophobicContact CD2-CG2 3.98Å; F68-V101 HydrophobicContact CE2-CG2 3.93Å; F68-A103 PolarHBondContact N-O 2.69Å; F68-A103 VanDerWaalsContact N-O 3.14Å; F68-L104 HydrophobicContact CB-CB 4.43Å; F68-L104 CarbonylContact O-C 3.55Å; F68-L104 WeakPolarHBondContact O-CA 3.11Å; F68-A105 PolarHBondContact O-N 3.27Å
69R85.6Confident75.7Confident21 Ų2152.1 Ų52.18%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-121.1125.5170.2179.8177-60.8-145.32.2109.3L51 R52 E54 A105 D121 S123L51-R69 WeakPolarHBondContact CA-O 3.33Å; R52-R69 PolarHBondContact N-O 2.83Å; R52-R69 PolarHBondContact O-N 2.86Å; E54-R69 VanDerWaalsContact CD-NE 3.27Å; E54-R69 HydrophobicContact CG-CB 4.4Å; E54-R69 IonicContact OE1-CZ 3.31Å; E54-R69 IonicContact OE1-NE 2.7Å; E54-R69 PolarHBondContact OE1-NE 3.44Å; E54-R69 IonicContact OE1-NH2 3.44Å; E54-R69 PolarHBondContact OE1-NH2 2.9Å; E54-R69 IonicContact OE2-CZ 2.77Å; E54-R69 IonicContact OE2-NE 3.45Å; E54-R69 PolarHBondContact OE2-NE 3Å; E54-R69 IonicContact OE2-NH2 2.71Å; E54-R69 PolarHBondContact OE2-NH2 3.47Å; R69-A105 WeakPolarHBondContact CA-O 3.42Å; R69-A105 HydrophobicContact CB-CB 4.29Å; R69-A105 HydrophobicContact CG-CB 4.17Å; R69-D121 VanDerWaalsContact NH1-C 3.34Å; R69-D121 PolarHBondContact NH1-O 3.44Å; R69-S123 PolarHBondContact NH2-OG 2.82Å
70V87.4Confident77.7Confident0 Ų049.5 Ų49.50%031%0.31CS..EExtended strand (participates in β ladder)trans-122.413217670.70000110.4L40 E50 L51 L104 A105 I106 Q107L40-V70 HydrophobicContact CD1-CG2 3.62Å; E50-V70 CarbonylContact O-C 3.45Å; E50-V70 WeakPolarHBondContact O-CA 3.38Å; L51-V70 HydrophobicContact CB-CG2 4.5Å; L51-V70 HydrophobicContact CD1-CB 3.64Å; L51-V70 HydrophobicContact CD1-CG2 3.86Å; V70-L104 HydrophobicContact CG1-CD1 3.75Å; V70-A105 PolarHBondContact N-O 2.82Å; V70-I106 HydrophobicContact CG1-CB 4.38Å; V70-I106 HydrophobicContact CG1-CG1 3.95Å; V70-I106 HydrophobicContact CG1-CG2 4.45Å; V70-I106 CarbonylContact O-C 3.48Å; V70-I106 WeakPolarHBondContact O-CA 2.84Å; V70-Q107 PolarHBondContact O-N 2.92Å
71A89.7Confident79.5Confident3 Ų349.2 Ų49.23%0.02531%0.31CS..EExtended strand (participates in β ladder)trans-116.5122.6168.300000109.2L49 E50 Q107 L120L49-A71 WeakPolarHBondContact CA-O 3.47Å; E50-A71 HydrophobicContact CB-CB 4.22Å; E50-A71 PolarHBondContact N-O 3.5Å; E50-A71 PolarHBondContact O-N 2.94Å; A71-Q107 WeakPolarHBondContact CA-O 3.27Å; A71-Q107 HydrophobicContact CB-CB 3.97Å; A71-L120 HydrophobicContact CB-CD1 4.31Å; A71-L120 HydrophobicContact CB-CD2 3.16Å; A71-L120 HydrophobicContact CB-CG 4.35Å
72V90.6Very high81Confident0 Ų048.8 Ų48.80%031%0.308CS..EExtended strand (participates in β ladder)trans-124.6122.4-173.360.40000108.4L44 P46 F77 V89 Q107 A108 K109L44-V72 HydrophobicContact CD1-CG2 4.33Å; P46-V72 HydrophobicContact CB-CG2 3.6Å; P46-V72 HydrophobicContact CG-CG2 3.97Å; V72-F77 HydrophobicContact CB-CE2 4.31Å; V72-F77 HydrophobicContact CG1-CE2 3.7Å; V72-F77 HydrophobicContact CG1-CZ 3.75Å; V72-F77 HydrophobicContact CG2-CE2 3.94Å; V72-F77 HydrophobicContact CG2-CZ 4.12Å; V72-V89 HydrophobicContact CG1-CG2 4.24Å; V72-Q107 PolarHBondContact N-O 3.11Å; V72-A108 HydrophobicContact CG1-CB 4.01Å; V72-A108 WeakPolarHBondContact O-CA 3.38Å; V72-K109 PolarHBondContact O-N 3.15Å
73V91.2Very high82.8Confident2 Ų249.2 Ų49.21%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-112.9111.6179-174.50000108.4P46 E47 V48 K109 P111 W114P46-V73 CarbonylContact C-O 3.58Å; P46-V73 WeakPolarHBondContact CA-O 3.14Å; P46-V73 WeakPolarHBondContact CB-O 3.21Å; E47-V73 PolarHBondContact N-O 2.6Å; V48-V73 HydrophobicContact CB-CB 3.86Å; V48-V73 HydrophobicContact CB-CG2 3.87Å; V48-V73 HydrophobicContact CG1-CG2 4.5Å; V48-V73 HydrophobicContact CG2-CB 4.41Å; V48-V73 PolarHBondContact N-O 3.39Å; V48-V73 PolarHBondContact O-N 3.18Å; V73-K109 WeakPolarHBondContact CA-O 3.24Å; V73-K109 HydrophobicContact CG2-CB 4.49Å; V73-P111 HydrophobicContact CG1-CB 4.18Å; V73-W114 HydrophobicContact CB-CB 4.49Å; V73-W114 HydrophobicContact CG1-CB 3.68Å; V73-W114 HydrophobicContact CG1-CG 4.1Å; V73-W114 HydrophobicContact CG2-CB 3.95Å; V73-W114 HydrophobicContact CG2-CD2 3.53Å; V73-W114 HydrophobicContact CG2-CE3 3.5Å; V73-W114 VanDerWaalsContact CG2-CE3 3.5Å; V73-W114 HydrophobicContact CG2-CG 3.73Å; V73-W114 HydrophobicContact CG2-CZ3 4.17Å
74S91.6Very high84.5Confident1 Ų151 Ų511%0.00728%0.284CS..  trans-144.6144.8179.9-177.40000110.6L44 R76 F77 K109 P111L44-S74 PolarHBondContact O-OG 3.43Å; L44-S74 VanDerWaalsContact O-OG 3.05Å; S74-R76 PolarHBondContact O-N 3.08Å; S74-R76 WeakPolarHBondContact OG-CB 3.21Å; S74-R76 PolarHBondContact OG-N 3.32Å; S74-F77 WeakPolarHBondContact O-CD2 3.48Å; S74-F77 PolarHBondContact O-N 3.21Å; S74-K109 PolarHBondContact N-O 3.05Å; S74-P111 WeakPolarHBondContact O-CD 3.35Å
75S89.8Confident86.1Confident65 Ų6551.2 Ų51.246%0.45528%0.28SS..G310 helixtrans-64.6-20.1170.652.60000112.2F77 E78S75-F77 PolarHBondContact O-N 2.77Å; S75-F77 VanDerWaalsContact O-N 3.07Å; S75-E78 WeakPolarHBondContact O-CB 3.3Å; S75-E78 PolarHBondContact O-N 3.31Å
76R87Confident87.1Confident151 Ų15152.2 Ų52.257%0.5729%0.285SS*.G310 helixtrans-58-22.6174.1-69.5-72.1-177.691.41.9113.7S74 E78 M80S74-R76 PolarHBondContact O-N 3.08Å; S74-R76 WeakPolarHBondContact OG-CB 3.21Å; S74-R76 PolarHBondContact OG-N 3.32Å; R76-E78 VanDerWaalsContact C-N 3.33Å; R76-M80 VanDerWaalsContact O-CE 3.22Å; R76-M80 WeakPolarHBondContact O-CE 3.45Å; R76-M80 VanDerWaalsContact O-SD 3.39Å
77F87.1Confident88.1Confident0 Ų059.8 Ų59.80%031%0.31CS..G310 helixtrans-87.4-4.3-178.9-57.4-46000113.8L44 V72 S74 S75 G79 M80 R85 V89 A108 K109 T110L44-F77 HydrophobicContact CD1-CZ 4.14Å; L44-F77 HydrophobicContact CD2-CE1 3.97Å; L44-F77 HydrophobicContact CD2-CZ 4.07Å; V72-F77 HydrophobicContact CB-CE2 4.31Å; V72-F77 HydrophobicContact CG1-CE2 3.7Å; V72-F77 HydrophobicContact CG1-CZ 3.75Å; V72-F77 HydrophobicContact CG2-CE2 3.94Å; V72-F77 HydrophobicContact CG2-CZ 4.12Å; S74-F77 WeakPolarHBondContact O-CD2 3.48Å; S74-F77 PolarHBondContact O-N 3.21Å; S75-F77 PolarHBondContact O-N 2.77Å; S75-F77 VanDerWaalsContact O-N 3.07Å; F77-G79 PolarHBondContact O-N 2.97Å; F77-M80 PolarHBondContact O-N 2.71Å; F77-R85 HydrophobicContact CB-CG 4.02Å; F77-R85 HydrophobicContact CD1-CB 3.97Å; F77-R85 HydrophobicContact CD1-CG 3.7Å; F77-R85 HydrophobicContact CE1-CB 4.3Å; F77-R85 HydrophobicContact CG-CG 4.08Å; F77-R85 PolarHBondContact O-NE 3.18Å; F77-R85 VanDerWaalsContact O-NE 3.17Å; F77-R85 PolarHBondContact O-NH2 3.06Å; F77-V89 HydrophobicContact CZ-CG2 4.39Å; F77-A108 HydrophobicContact CD1-CB 4.47Å; F77-A108 HydrophobicContact CD2-CB 4.16Å; F77-A108 HydrophobicContact CE1-CB 4.31Å; F77-A108 HydrophobicContact CE2-CB 4Å; F77-A108 HydrophobicContact CG-CB 4.39Å; F77-A108 HydrophobicContact CZ-CB 4.06Å; F77-K109 WeakPolarHBondContact CD2-O 3.18Å; F77-T110 HydrophobicContact CB-CG2 4.17Å
78E87.3Confident88.6Confident136 Ų13660.3 Ų60.364%0.63632%0.315SS*.THydrogen-bonded Turntrans-66.6129.9178.2-163.9162.8-151.900110.4S75 R76 M80 T110S75-E78 WeakPolarHBondContact O-CB 3.3Å; S75-E78 PolarHBondContact O-N 3.31Å; R76-E78 VanDerWaalsContact C-N 3.33Å; E78-M80 PolarHBondContact O-N 3.44Å; E78-T110 HydrophobicContact CB-CG2 4.21Å
79G88.1Confident88.8Confident84 Ų8460 Ų6087%0.86631%0.314SS*.THydrogen-bonded Turntrans74.1-1.5-174.800000115.8F77F77-G79 PolarHBondContact O-N 2.97Å
80M88.4Confident89Confident64 Ų6463 Ų6332%0.31533%0.329SS..  trans-92.3144.2175.5-63.4-171.3179.800112.5R76 F77 E78 Q84 R85 L88R76-M80 VanDerWaalsContact O-CE 3.22Å; R76-M80 WeakPolarHBondContact O-CE 3.45Å; R76-M80 VanDerWaalsContact O-SD 3.39Å; F77-M80 PolarHBondContact O-N 2.71Å; E78-M80 PolarHBondContact O-N 3.44Å; M80-Q84 HydrophobicContact CB-CB 4.44Å; M80-R85 HydrophobicContact CB-CG 3.97Å; M80-R85 PolarHBondContact O-NE 3.49Å; M80-R85 VanDerWaalsContact O-NE 3.15Å; M80-R85 PolarHBondContact O-NH2 3.27Å; M80-L88 HydrophobicContact CE-CD1 3.93Å; M80-L88 HydrophobicContact SD-CD1 3.46Å; M80-L88 WeakPolarHBondContact SD-CD1 3.37Å
81S90.8Very high89Confident50 Ų5066.1 Ų66.135%0.3535%0.354SS..  trans-67.7152.5170.666.10000111.8L83 Q84 R85S81-L83 PolarHBondContact O-N 2.83Å; S81-Q84 PolarHBondContact O-N 3.46Å; S81-Q84 VanDerWaalsContact O-N 3.08Å; S81-Q84 VanDerWaalsContact OG-CD 3.29Å; S81-Q84 VanDerWaalsContact OG-CG 3.26Å; S81-Q84 WeakPolarHBondContact OG-CG 3.22Å; S81-Q84 PolarHBondContact OG-N 3.25Å; S81-Q84 PolarHBondContact OG-OE1 3.22Å; S81-R85 WeakPolarHBondContact O-CG 3.46Å; S81-R85 PolarHBondContact O-N 3.46Å; S81-R85 VanDerWaalsContact O-N 3.15Å
82P85.1Confident88.9Confident92 Ų9267.2 Ų67.260%0.59736%0.363SS*.Hα-helixtrans-53-41.6178.5-26.834.5000113.3Q84 R85 H86P82-Q84 PolarHBondContact O-N 3.12Å; P82-R85 PolarHBondContact O-N 2.91Å; P82-H86 PolarHBondContact O-CD2 3.36Å; P82-H86 PolarHBondContact O-N 3.45Å; P82-H86 VanDerWaalsContact O-N 3.12Å
83L89.1Confident88.6Confident124 Ų12467.4 Ų67.465%0.64936%0.364SS*.Hα-helixtrans-63-44.2178.5-175.563.9000111.9S81 R85 H86 R87S81-L83 PolarHBondContact O-N 2.83Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.11Å; L83-H86 PolarHBondContact O-N 3.45Å; L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.08Å
84Q90.2Very high88.2Confident105 Ų10570.4 Ų70.449%0.49139%0.385SS..Hα-helixtrans-61.5-40.9178.1-76.4167.8-50.200111.9M80 S81 P82 H86 R87 L88M80-Q84 HydrophobicContact CB-CB 4.44Å; S81-Q84 PolarHBondContact O-N 3.46Å; S81-Q84 VanDerWaalsContact O-N 3.08Å; S81-Q84 VanDerWaalsContact OG-CD 3.29Å; S81-Q84 VanDerWaalsContact OG-CG 3.26Å; S81-Q84 WeakPolarHBondContact OG-CG 3.22Å; S81-Q84 PolarHBondContact OG-N 3.25Å; S81-Q84 PolarHBondContact OG-OE1 3.22Å; P82-Q84 PolarHBondContact O-N 3.12Å; Q84-H86 VanDerWaalsContact C-N 3.34Å; Q84-H86 PolarHBondContact O-N 3.39Å; Q84-R87 PolarHBondContact O-N 3.44Å; Q84-L88 PolarHBondContact O-N 3.34Å
85R90.7Very high87.7Confident31 Ų3176.5 Ų76.512%0.11741%0.414CS..Hα-helixtrans-59.5-46.4176-58.7174.6-170170.17.8111F77 M80 S81 P82 L83 R87 L88 V89 A108F77-R85 HydrophobicContact CB-CG 4.02Å; F77-R85 HydrophobicContact CD1-CB 3.97Å; F77-R85 HydrophobicContact CD1-CG 3.7Å; F77-R85 HydrophobicContact CE1-CB 4.3Å; F77-R85 HydrophobicContact CG-CG 4.08Å; F77-R85 PolarHBondContact O-NE 3.18Å; F77-R85 VanDerWaalsContact O-NE 3.17Å; F77-R85 PolarHBondContact O-NH2 3.06Å; M80-R85 HydrophobicContact CB-CG 3.97Å; M80-R85 PolarHBondContact O-NE 3.49Å; M80-R85 VanDerWaalsContact O-NE 3.15Å; M80-R85 PolarHBondContact O-NH2 3.27Å; S81-R85 WeakPolarHBondContact O-CG 3.46Å; S81-R85 PolarHBondContact O-N 3.46Å; S81-R85 VanDerWaalsContact O-N 3.15Å; P82-R85 PolarHBondContact O-N 2.91Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.11Å; R85-R87 PolarHBondContact O-N 3.17Å; R85-L88 PolarHBondContact O-N 3.02Å; R85-V89 WeakPolarHBondContact O-CG2 3.43Å; R85-V89 PolarHBondContact O-N 3.5Å; R85-V89 VanDerWaalsContact O-N 3.1Å; R85-A108 HydrophobicContact CB-CB 3.67Å; R85-A108 HydrophobicContact CG-CB 4.35Å; R85-A108 PolarHBondContact NH1-O 3.14Å; R85-A108 VanDerWaalsContact NH1-O 3.13Å
86H88.4Confident87.1Confident72 Ų7275.5 Ų75.533%0.33340%0.402SS..Hα-helixtrans-64-41.3177.9-73.1-144000111.4P82 L83 Q84 L88 V89 H90 I106P82-H86 PolarHBondContact O-CD2 3.36Å; P82-H86 PolarHBondContact O-N 3.45Å; P82-H86 VanDerWaalsContact O-N 3.12Å; L83-H86 PolarHBondContact O-N 3.45Å; Q84-H86 VanDerWaalsContact C-N 3.34Å; Q84-H86 PolarHBondContact O-N 3.39Å; H86-L88 VanDerWaalsContact C-N 3.35Å; H86-L88 PolarHBondContact O-N 3.13Å; H86-V89 PolarHBondContact O-N 3.41Å; H86-H90 WeakPolarHBondContact O-CB 3.45Å; H86-H90 PolarHBondContact O-N 3.1Å; H86-I106 PolarHBondContact NE2-O 3.43Å
87R90.4Very high86.5Confident184 Ų18470.8 Ų70.869%0.69439%0.388SS*.Hα-helixtrans-62.8-39.3176.1-66.9-15785.6176.66.6112.6L83 Q84 R85 H90 A91L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.08Å; Q84-R87 PolarHBondContact O-N 3.44Å; R85-R87 PolarHBondContact O-N 3.17Å; R87-H90 PolarHBondContact O-N 3.33Å; R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 3.3Å
88L88.6Confident85.8Confident76 Ų7675 Ų7540%0.39842%0.423SS..Hα-helixtrans-62.6-46.2175.8-81.2170.1000111.8M80 Q84 R85 H86 A91 A92M80-L88 HydrophobicContact CE-CD1 3.93Å; M80-L88 HydrophobicContact SD-CD1 3.46Å; M80-L88 WeakPolarHBondContact SD-CD1 3.37Å; Q84-L88 PolarHBondContact O-N 3.34Å; R85-L88 PolarHBondContact O-N 3.02Å; H86-L88 VanDerWaalsContact C-N 3.35Å; H86-L88 PolarHBondContact O-N 3.13Å; L88-A91 PolarHBondContact O-N 2.84Å; L88-A92 PolarHBondContact O-N 3Å
89V88.4Confident85Confident0 Ų071 Ų710%042%0.418CS..Hα-helixtrans-65.4-45.1177.9174.70000110.8L40 L44 V72 F77 R85 H86 A91 A92 L93 L104 I106L40-V89 HydrophobicContact CD2-CG1 3.96Å; L44-V89 HydrophobicContact CD1-CG2 3.94Å; V72-V89 HydrophobicContact CG1-CG2 4.24Å; F77-V89 HydrophobicContact CZ-CG2 4.39Å; R85-V89 WeakPolarHBondContact O-CG2 3.43Å; R85-V89 PolarHBondContact O-N 3.5Å; R85-V89 VanDerWaalsContact O-N 3.1Å; H86-V89 PolarHBondContact O-N 3.41Å; V89-A91 VanDerWaalsContact C-N 3.31Å; V89-A91 PolarHBondContact O-N 3.34Å; V89-A92 PolarHBondContact O-N 2.66Å; V89-L93 HydrophobicContact CG1-CD1 3.92Å; V89-L93 WeakPolarHBondContact O-CB 3.47Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 2.93Å; V89-L104 HydrophobicContact CG1-CD1 4.43Å; V89-I106 HydrophobicContact CB-CD1 3.93Å; V89-I106 HydrophobicContact CB-CG2 4.16Å; V89-I106 HydrophobicContact CG1-CD1 3.54Å; V89-I106 HydrophobicContact CG1-CG1 3.82Å; V89-I106 HydrophobicContact CG1-CG2 4Å; V89-I106 HydrophobicContact CG2-CG2 4.04Å
90H88.3Confident84.1Confident84 Ų8470.1 Ų70.139%0.38940%0.397SS..Hα-helixtrans-61-38.8174.4-79.1-168.3000112.6H86 R87 L93 S94 I106H86-H90 WeakPolarHBondContact O-CB 3.45Å; H86-H90 PolarHBondContact O-N 3.1Å; R87-H90 PolarHBondContact O-N 3.33Å; H90-L93 CarbonylContact O-C 3.47Å; H90-L93 PolarHBondContact O-N 3.48Å; H90-S94 WeakPolarHBondContact O-CA 3.17Å; H90-S94 WeakPolarHBondContact O-CB 3.34Å; H90-S94 PolarHBondContact O-N 3.14Å; H90-I106 WeakPolarHBondContact CD2-CD1 3.41Å; H90-I106 WeakPolarHBondContact NE2-CD1 3.21Å
91A88.3Confident83.3Confident65 Ų6567.4 Ų67.454%0.53738%0.384SS..Hα-helixtrans-63-44.6177.200000111R87 L88 V89 L93 S94R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 3.3Å; L88-A91 PolarHBondContact O-N 2.84Å; V89-A91 VanDerWaalsContact C-N 3.31Å; V89-A91 PolarHBondContact O-N 3.34Å; A91-L93 VanDerWaalsContact C-N 3.28Å; A91-L93 PolarHBondContact O-N 2.79Å; A91-S94 PolarHBondContact O-N 2.94Å; A91-S94 PolarHBondContact O-OG 3.46Å
92A87.3Confident82.2Confident26 Ų2672.5 Ų72.522%0.21540%0.402CS..Hα-helixtrans-64.5-31.6177.200000113.3A43 L88 V89A43-A92 HydrophobicContact CB-CB 4.04Å; L88-A92 PolarHBondContact O-N 3Å; V89-A92 PolarHBondContact O-N 2.66Å
93L85.1Confident81.6Confident3 Ų370 Ų702%0.01639%0.389CS..THydrogen-bonded Turntrans-1027.5-178.3-61.2179.2000113.8I36 K39 L40 V89 H90 A91 E95 E96 L97 L104I36-L93 HydrophobicContact CB-CD2 4.25Å; I36-L93 HydrophobicContact CG1-CD2 4.3Å; I36-L93 HydrophobicContact CG2-CD1 3.98Å; I36-L93 HydrophobicContact CG2-CD2 3.83Å; K39-L93 HydrophobicContact CB-CD2 4.2Å; L40-L93 HydrophobicContact CD1-CD1 4.34Å; L40-L93 HydrophobicContact CD2-CD1 4.09Å; L40-L93 HydrophobicContact CD2-CD2 4.18Å; L40-L93 HydrophobicContact CD2-CG 4.05Å; L40-L93 HydrophobicContact CG-CD1 4.42Å; L40-L93 HydrophobicContact CG-CD2 4.11Å; L40-L93 HydrophobicContact CG-CG 4.46Å; V89-L93 HydrophobicContact CG1-CD1 3.92Å; V89-L93 WeakPolarHBondContact O-CB 3.47Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 2.93Å; H90-L93 CarbonylContact O-C 3.47Å; H90-L93 PolarHBondContact O-N 3.48Å; A91-L93 VanDerWaalsContact C-N 3.28Å; A91-L93 PolarHBondContact O-N 2.79Å; L93-E95 PolarHBondContact O-N 3.49Å; L93-E96 PolarHBondContact O-N 2.91Å; L93-L97 HydrophobicContact CB-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CB 3.42Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.12Å; L93-L104 HydrophobicContact CD1-CD1 3.64Å; L93-L104 HydrophobicContact CD1-CD2 4.49Å
94S83.3Confident81.3Confident65 Ų6565.5 Ų65.546%0.45537%0.365SS..Hα-helixtrans-60.2-35-174.455.40000112.7H90 A91 A98H90-S94 WeakPolarHBondContact O-CA 3.17Å; H90-S94 WeakPolarHBondContact O-CB 3.34Å; H90-S94 PolarHBondContact O-N 3.14Å; A91-S94 PolarHBondContact O-N 2.94Å; A91-S94 PolarHBondContact O-OG 3.46Å; S94-A98 PolarHBondContact O-N 3.49Å; S94-A98 VanDerWaalsContact O-N 3.14Å
95E80.1Confident81Confident130 Ų13062.5 Ų62.561%0.60736%0.358SS*.Hα-helixtrans-63.9-41.6174.4-69.9168.1-148.100112.4K39 L93K39-E95 IonicContact NZ-OE1 3.64Å; K39-E95 IonicContact NZ-OE2 3.83Å; K39-E95 PolarHBondContact NZ-OE2 3.26Å; L93-E95 PolarHBondContact O-N 3.49Å
96E76.6Confident80.9Confident43 Ų4361.7 Ų61.720%0.20136%0.357CS..Hα-helixtrans-76.3-34.6-180-57.6-57.8141.200111.9I36 L93 A98 G99I36-E96 HydrophobicContact CG1-CB 4.48Å; I36-E96 HydrophobicContact CG1-CG 4.41Å; L93-E96 PolarHBondContact O-N 2.91Å; E96-A98 VanDerWaalsContact C-N 3.27Å; E96-A98 PolarHBondContact O-N 3.47Å; E96-G99 PolarHBondContact O-N 3.24Å; E96-G99 VanDerWaalsContact O-N 3.14Å
97L74.5Confident80.9Confident52 Ų5259.7 Ų59.727%0.27235%0.347SS..Hα-helixtrans-69-23.7175.4-77.4166000113.2L93 G99 V101 L104L93-L97 HydrophobicContact CB-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CB 3.42Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.12Å; L97-G99 PolarHBondContact O-N 3.41Å; L97-V101 HydrophobicContact CD2-CB 4.11Å; L97-V101 HydrophobicContact CD2-CG1 3.77Å; L97-L104 HydrophobicContact CD1-CD2 3.68Å; L97-L104 HydrophobicContact CD2-CD2 3.47Å; L97-L104 VanDerWaalsContact CD2-CD2 3.47Å; L97-L104 HydrophobicContact CG-CD2 3.92Å
98A72.1Confident80.9Confident90 Ų9051.4 Ų51.474%0.74432%0.318SS*.THydrogen-bonded Turntrans-74-10.217300000112.9S94 E96S94-A98 PolarHBondContact O-N 3.49Å; S94-A98 VanDerWaalsContact O-N 3.14Å; E96-A98 VanDerWaalsContact C-N 3.27Å; E96-A98 PolarHBondContact O-N 3.47Å
99G71.9Confident80.9Confident51 Ų5149.2 Ų49.253%0.52631%0.305SS..THydrogen-bonded Turntrans-110.1-114-177.700000113E96 L97E96-G99 PolarHBondContact O-N 3.24Å; E96-G99 VanDerWaalsContact O-N 3.14Å; L97-G99 PolarHBondContact O-N 3.41Å
100P67.9Low81Confident66 Ų6649.7 Ų49.743%0.42931%0.308SS..THydrogen-bonded Turntrans-81.3-20.8-167.930.8-34.7000114.8V32 H102V32-P100 HydrophobicContact CG1-CG 4.22Å; V32-P100 HydrophobicContact CG2-CG 3.94Å; P100-H102 PolarHBondContact O-N 2.76Å
101V72Confident81.1Confident7 Ų746.6 Ų46.64%0.04230%0.296CS..  trans-83.9116.7-172.8-177.30000110.8V32 I36 F68 L97V32-V101 HydrophobicContact CG1-CG2 3.8Å; I36-V101 HydrophobicContact CD1-CG2 4.14Å; F68-V101 HydrophobicContact CD2-CG1 3.98Å; F68-V101 HydrophobicContact CD2-CG2 3.98Å; F68-V101 HydrophobicContact CE2-CG2 3.93Å; L97-V101 HydrophobicContact CD2-CB 4.11Å; L97-V101 HydrophobicContact CD2-CG1 3.77Å
102H68.5Low81.1Confident156 Ų15645.8 Ų45.872%0.72229%0.289SS*.SBendtrans-82.2-41.7177-92.559.9000112.9T66 P100T66-H102 HydrophobicContact CG2-CB 4.49Å; T66-H102 PolarHBondContact O-N 3.07Å; T66-H102 VanDerWaalsContact O-N 3.11Å; P100-H102 PolarHBondContact O-N 2.76Å
103A71.9Confident81.1Confident40 Ų4048.1 Ų48.133%0.33130%0.296SS..EExtended strand (participates in β ladder)trans-151.5137.2-18000000110.9T66 H67 F68T66-A103 PolarHBondContact O-N 2.81Å; H67-A103 WeakPolarHBondContact CA-O 3.2Å; F68-A103 PolarHBondContact N-O 2.69Å; F68-A103 VanDerWaalsContact N-O 3.14Å
104L82Confident81.3Confident29 Ų2950.2 Ų50.215%0.15230%0.303CS..EExtended strand (participates in β ladder)trans-118.9137.116882141000112.3F68 V70 V89 L93 L97 I106F68-L104 HydrophobicContact CB-CB 4.43Å; F68-L104 CarbonylContact O-C 3.55Å; F68-L104 WeakPolarHBondContact O-CA 3.11Å; V70-L104 HydrophobicContact CG1-CD1 3.75Å; V89-L104 HydrophobicContact CG1-CD1 4.43Å; L93-L104 HydrophobicContact CD1-CD1 3.64Å; L93-L104 HydrophobicContact CD1-CD2 4.49Å; L97-L104 HydrophobicContact CD1-CD2 3.68Å; L97-L104 HydrophobicContact CD2-CD2 3.47Å; L97-L104 VanDerWaalsContact CD2-CD2 3.47Å; L97-L104 HydrophobicContact CG-CD2 3.92Å; L104-I106 HydrophobicContact CD1-CD1 3.71Å; L104-I106 HydrophobicContact CD1-CG1 3.28Å; L104-I106 HydrophobicContact CD2-CD1 4.44Å; L104-I106 HydrophobicContact CG-CD1 3.98Å; L104-I106 HydrophobicContact CG-CG1 3.77Å
105A84.9Confident81.5Confident42 Ų4256.6 Ų56.635%0.34732%0.317SS..EExtended strand (participates in β ladder)trans-90118.5168.800000108.7F68 R69 V70F68-A105 PolarHBondContact O-N 3.27Å; R69-A105 WeakPolarHBondContact CA-O 3.42Å; R69-A105 HydrophobicContact CB-CB 4.29Å; R69-A105 HydrophobicContact CG-CB 4.17Å; V70-A105 PolarHBondContact N-O 2.82Å
106I87.8Confident81.8Confident15 Ų1558.1 Ų58.18%0.07733%0.325CS..EExtended strand (participates in β ladder)trans-106.9126.8-178.2-60.3159.6000109.3V70 H86 V89 H90 L104 A108V70-I106 HydrophobicContact CG1-CB 4.38Å; V70-I106 HydrophobicContact CG1-CG1 3.95Å; V70-I106 HydrophobicContact CG1-CG2 4.45Å; V70-I106 CarbonylContact O-C 3.48Å; V70-I106 WeakPolarHBondContact O-CA 2.84Å; H86-I106 PolarHBondContact NE2-O 3.43Å; V89-I106 HydrophobicContact CB-CD1 3.93Å; V89-I106 HydrophobicContact CB-CG2 4.16Å; V89-I106 HydrophobicContact CG1-CD1 3.54Å; V89-I106 HydrophobicContact CG1-CG1 3.82Å; V89-I106 HydrophobicContact CG1-CG2 4Å; V89-I106 HydrophobicContact CG2-CG2 4.04Å; H90-I106 WeakPolarHBondContact CD2-CD1 3.41Å; H90-I106 WeakPolarHBondContact NE2-CD1 3.21Å; L104-I106 HydrophobicContact CD1-CD1 3.71Å; L104-I106 HydrophobicContact CD1-CG1 3.28Å; L104-I106 HydrophobicContact CD2-CD1 4.44Å; L104-I106 HydrophobicContact CG-CD1 3.98Å; L104-I106 HydrophobicContact CG-CG1 3.77Å; I106-A108 HydrophobicContact CG2-CB 4.27Å
107Q88.8Confident82.2Confident30 Ų3059.2 Ų59.214%0.1433%0.332CS..EExtended strand (participates in β ladder)trans-11693.8169.5-62.7-174.6-76.800108.7V70 A71 V72 D121V70-Q107 PolarHBondContact O-N 2.92Å; A71-Q107 WeakPolarHBondContact CA-O 3.27Å; A71-Q107 HydrophobicContact CB-CB 3.97Å; V72-Q107 PolarHBondContact N-O 3.11Å; Q107-D121 PolarHBondContact NE2-OD2 3.04Å
108A90.1Very high82.3Confident10 Ų1060 Ų608%0.08334%0.34CS..EExtended strand (participates in β ladder)trans-96.299.8178.100000111V72 F77 R85 I106V72-A108 HydrophobicContact CG1-CB 4.01Å; V72-A108 WeakPolarHBondContact O-CA 3.38Å; F77-A108 HydrophobicContact CD1-CB 4.47Å; F77-A108 HydrophobicContact CD2-CB 4.16Å; F77-A108 HydrophobicContact CE1-CB 4.31Å; F77-A108 HydrophobicContact CE2-CB 4Å; F77-A108 HydrophobicContact CG-CB 4.39Å; F77-A108 HydrophobicContact CZ-CB 4.06Å; R85-A108 HydrophobicContact CB-CB 3.67Å; R85-A108 HydrophobicContact CG-CB 4.35Å; R85-A108 PolarHBondContact NH1-O 3.14Å; R85-A108 VanDerWaalsContact NH1-O 3.13Å; I106-A108 HydrophobicContact CG2-CB 4.27Å
109K89.3Confident82.3Confident29 Ų2962.4 Ų62.413%0.12634%0.336CS..EExtended strand (participates in β ladder)trans-109.5153.4-178.6-70.3-179.7173.5-179.40110.7V72 V73 S74 F77 Q113 W114 N117 Q119V72-K109 PolarHBondContact O-N 3.15Å; V73-K109 WeakPolarHBondContact CA-O 3.24Å; V73-K109 HydrophobicContact CG2-CB 4.49Å; S74-K109 PolarHBondContact N-O 3.05Å; F77-K109 WeakPolarHBondContact CD2-O 3.18Å; K109-Q113 HydrophobicContact CB-CB 4.37Å; K109-W114 HydrophobicContact CD-CE3 3.99Å; K109-W114 HydrophobicContact CD-CZ3 4.44Å; K109-N117 PolarHBondContact NZ-O 3.48Å; K109-N117 VanDerWaalsContact NZ-O 3.11Å; K109-Q119 PolarHBondContact NZ-O 2.9Å
110T91.2Very high82.1Confident11 Ų1161.6 Ų61.67%0.06732%0.319CS..  trans-81.5156.8168.159.20000109.8F77 E78 A112 Q113 W114F77-T110 HydrophobicContact CB-CG2 4.17Å; E78-T110 HydrophobicContact CB-CG2 4.21Å; T110-A112 PolarHBondContact O-N 2.7Å; T110-Q113 PolarHBondContact O-N 3.06Å; T110-Q113 VanDerWaalsContact O-N 3.1Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.39Å; T110-Q113 PolarHBondContact OG1-N 3.39Å; T110-Q113 PolarHBondContact OG1-NE2 3.02Å; T110-W114 PolarHBondContact O-N 3.27Å
111P89.1Confident81.9Confident19 Ų1963.1 Ų63.112%0.12332%0.324CS..Hα-helixtrans-56.5-32.6174.820.7-33000112.6V73 S74 W114 R115V73-P111 HydrophobicContact CG1-CB 4.18Å; S74-P111 WeakPolarHBondContact O-CD 3.35Å; P111-W114 PolarHBondContact O-N 3.24Å; P111-R115 WeakPolarHBondContact O-CG 3.4Å; P111-R115 PolarHBondContact O-N 3.16Å; P111-R115 VanDerWaalsContact O-N 3.08Å
112A88.9Confident81.2Confident48 Ų4867.8 Ų67.840%0.39735%0.353SS..Hα-helixtrans-62.1-52.6172.500000112.2T110 W114 R115 E116T110-A112 PolarHBondContact O-N 2.7Å; A112-W114 VanDerWaalsContact C-N 3.26Å; A112-W114 PolarHBondContact O-N 3.06Å; A112-R115 WeakPolarHBondContact O-CB 3.26Å; A112-R115 PolarHBondContact O-N 3.06Å; A112-R115 VanDerWaalsContact O-N 3.17Å; A112-E116 PolarHBondContact O-N 2.8Å
113Q87.2Confident80.6Confident75 Ų7563.7 Ų63.735%0.3534%0.342SS..Hα-helixtrans-62.1-34.2177.8-74.9169.687.700112.4K109 T110 E116 N117K109-Q113 HydrophobicContact CB-CB 4.37Å; T110-Q113 PolarHBondContact O-N 3.06Å; T110-Q113 VanDerWaalsContact O-N 3.1Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.39Å; T110-Q113 PolarHBondContact OG1-N 3.39Å; T110-Q113 PolarHBondContact OG1-NE2 3.02Å; Q113-E116 PolarHBondContact O-N 3.4Å; Q113-N117 PolarHBondContact O-N 3.32Å
114W89.2Confident79.8Confident46 Ų4667.1 Ų67.117%0.17436%0.36CS..Hα-helixtrans-67.8-37.5177.1-173.9-101.9000112.6V48 V73 K109 T110 P111 A112 E116 N117 P118 L120V48-W114 HydrophobicContact CG1-CZ2 3.99Å; V73-W114 HydrophobicContact CB-CB 4.49Å; V73-W114 HydrophobicContact CG1-CB 3.68Å; V73-W114 HydrophobicContact CG1-CG 4.1Å; V73-W114 HydrophobicContact CG2-CB 3.95Å; V73-W114 HydrophobicContact CG2-CD2 3.53Å; V73-W114 HydrophobicContact CG2-CE3 3.5Å; V73-W114 VanDerWaalsContact CG2-CE3 3.5Å; V73-W114 HydrophobicContact CG2-CG 3.73Å; V73-W114 HydrophobicContact CG2-CZ3 4.17Å; K109-W114 HydrophobicContact CD-CE3 3.99Å; K109-W114 HydrophobicContact CD-CZ3 4.44Å; T110-W114 PolarHBondContact O-N 3.27Å; P111-W114 PolarHBondContact O-N 3.24Å; A112-W114 VanDerWaalsContact C-N 3.26Å; A112-W114 PolarHBondContact O-N 3.06Å; W114-E116 VanDerWaalsContact C-N 3.27Å; W114-E116 PolarHBondContact O-N 3.19Å; W114-N117 CarbonylContact O-C 3.36Å; W114-P118 HydrophobicContact CD2-CB 4.13Å; W114-P118 WeakPolarHBondContact CH2-O 3.34Å; W114-P118 HydrophobicContact CZ2-CB 3.99Å; W114-P118 WeakPolarHBondContact CZ2-O 3.38Å; W114-P118 WeakPolarHBondContact CZ3-O 3.26Å; W114-P118 WeakPolarHBondContact O-CA 3.47Å; W114-P118 WeakPolarHBondContact O-CB 3.48Å; W114-P118 WeakPolarHBondContact O-CD 3.4Å; W114-L120 HydrophobicContact CH2-CD2 3.69Å; W114-L120 HydrophobicContact CH2-CG 4.29Å; W114-L120 HydrophobicContact CZ3-CD2 3.67Å
115R86.9Confident78.6Confident199 Ų19971.4 Ų71.475%0.75139%0.39SS*.Hα-helixtrans-63.8-35.3174.4-73.3173.5-173.6161.84.4112P111 A112P111-R115 WeakPolarHBondContact O-CG 3.4Å; P111-R115 PolarHBondContact O-N 3.16Å; P111-R115 VanDerWaalsContact O-N 3.08Å; A112-R115 WeakPolarHBondContact O-CB 3.26Å; A112-R115 PolarHBondContact O-N 3.06Å; A112-R115 VanDerWaalsContact O-N 3.17Å
116E87.4Confident76.7Confident163 Ų16375.5 Ų75.576%0.76241%0.414SS*.Hα-helixtrans-76.1-45.6177.8-66179.492.800112.4A112 Q113 W114A112-E116 PolarHBondContact O-N 2.8Å; Q113-E116 PolarHBondContact O-N 3.4Å; W114-E116 VanDerWaalsContact C-N 3.27Å; W114-E116 PolarHBondContact O-N 3.19Å
117N83.6Confident75.2Confident66 Ų6683 Ų8335%0.35345%0.454SS..  trans-139.190.2177.9-175.814.4000111.7K109 Q113 W114 Q119K109-N117 PolarHBondContact NZ-O 3.48Å; K109-N117 VanDerWaalsContact NZ-O 3.11Å; Q113-N117 PolarHBondContact O-N 3.32Å; W114-N117 CarbonylContact O-C 3.36Å; N117-Q119 PolarHBondContact O-N 3.44Å; N117-Q119 VanDerWaalsContact OD1-CB 3.29Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.27Å; N117-Q119 PolarHBondContact OD1-N 3.14Å; N117-Q119 VanDerWaalsContact OD1-N 3.12Å
118P77.1Confident73.4Confident69 Ų6984.8 Ų84.845%0.44848%0.481SS..  trans-77.53.7177.931.7-34.7000112.7W114W114-P118 HydrophobicContact CD2-CB 4.13Å; W114-P118 WeakPolarHBondContact CH2-O 3.34Å; W114-P118 HydrophobicContact CZ2-CB 3.99Å; W114-P118 WeakPolarHBondContact CZ2-O 3.38Å; W114-P118 WeakPolarHBondContact CZ3-O 3.26Å; W114-P118 WeakPolarHBondContact O-CA 3.47Å; W114-P118 WeakPolarHBondContact O-CB 3.48Å; W114-P118 WeakPolarHBondContact O-CD 3.4Å
119Q72.8Confident71.6Confident139 Ų13987.8 Ų87.865%0.6551%0.512SS*.  trans-75.2134.4179.9-60.5-169.8-27.300111.1K109 N117K109-Q119 PolarHBondContact NZ-O 2.9Å; N117-Q119 PolarHBondContact O-N 3.44Å; N117-Q119 VanDerWaalsContact OD1-CB 3.29Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.27Å; N117-Q119 PolarHBondContact OD1-N 3.14Å; N117-Q119 VanDerWaalsContact OD1-N 3.12Å
120L68.5Low69.5Low35 Ų3592.3 Ų92.318%0.18355%0.547CS..  trans-83115.1164-56.8-175.4000106.9E50 A71 W114 T122E50-L120 HydrophobicContact CB-CD1 3.89Å; E50-L120 HydrophobicContact CG-CD1 4.23Å; A71-L120 HydrophobicContact CB-CD1 4.31Å; A71-L120 HydrophobicContact CB-CD2 3.16Å; A71-L120 HydrophobicContact CB-CG 4.35Å; W114-L120 HydrophobicContact CH2-CD2 3.69Å; W114-L120 HydrophobicContact CH2-CG 4.29Å; W114-L120 HydrophobicContact CZ3-CD2 3.67Å; L120-T122 PolarHBondContact O-N 2.84Å; L120-T122 PolarHBondContact O-OG1 2.83Å
121D62.7Low67.2Low97 Ų97100.8 Ų100.852%0.51958%0.584SS.*  trans-61.177.8178.4-58.1-62.5000111.2R69 Q107 S123R69-D121 VanDerWaalsContact NH1-C 3.34Å; R69-D121 PolarHBondContact NH1-O 3.44Å; Q107-D121 PolarHBondContact NE2-OD2 3.04Å; D121-S123 PolarHBondContact O-N 2.87Å
122T58.3Low65.1Low106 Ų106109.1 Ų109.165%0.6562%0.618SS**PPolyproline II helixtrans-56.7135.1178.9-58.60000108.1L120L120-T122 PolarHBondContact O-N 2.84Å; L120-T122 PolarHBondContact O-OG1 2.83Å
123S54.7Low63.1Low70 Ų70113 Ų11349%0.4964%0.636SS.*PPolyproline II helixtrans-51.1134.5-179.3-75.10000109.5R69 D121R69-S123 PolarHBondContact NH2-OG 2.82Å; D121-S123 PolarHBondContact O-N 2.87Å
124P55.3Low61.4Low111 Ų111120.4 Ų120.472%0.72166%0.661SS**PPolyproline II helixtrans-51.1140.1177.6-2431.2000109.6C126P124-C126 PolarHBondContact O-N 3.46Å
125P57.6Low59.8Low119 Ų119121.8 Ų121.877%0.77369%0.69SS**PPolyproline II helixtrans-54.2117.5176.722.6-31.9000107.9L127P125-L127 PolarHBondContact O-N 2.81Å
126C44.3Very low57.8Low128 Ų128119.2 Ų119.287%0.86570%0.697SS**  trans-60.3100.6-178.2-1390000107.2P124 G128P124-C126 PolarHBondContact O-N 3.46Å; C126-G128 PolarHBondContact O-N 2.98Å
127L57.2Low56.1Low173 Ų173120.6 Ų120.691%0.90672%0.724SS**  trans-66.692.4170.3-80.8161.4000106.5P125P125-L127 PolarHBondContact O-N 2.81Å
128G50.9Low54.7Low68 Ų68123.3 Ų123.370%0.70174%0.743SS**  trans-48.8135.4-178.900000111.9C126 S130C126-G128 PolarHBondContact O-N 2.98Å; G128-S130 PolarHBondContact O-N 3.11Å
129G51Low53.5Low73 Ų73126.2 Ų126.275%0.75376%0.758SS**  trans-51.3131.4-168.700000114.9K131G129-K131 PolarHBondContact O-N 3.4Å
130S45.5Very low52.4Low123 Ų123125.4 Ų125.486%0.8676%0.764SS**  trans-57.1102.7164-50.30000109.4G128 K132G128-S130 PolarHBondContact O-N 3.11Å; S130-K132 PolarHBondContact O-N 3.25Å; S130-K132 VanDerWaalsContact O-N 3.14Å
131K42.4Very low51.5Low190 Ų190130.8 Ų130.883%0.82680%0.798SS**  trans-52.2113.9172.9-172176-176.4175.70109.4G129 T133G129-K131 PolarHBondContact O-N 3.4Å; K131-T133 PolarHBondContact O-N 3.11Å
132K46.6Very low50.8Low193 Ų193132.9 Ų132.984%0.83982%0.816SS**  trans-55.1108.4166.8-84.2-174176.9-179.60109.4S130 R134S130-K132 PolarHBondContact O-N 3.25Å; S130-K132 VanDerWaalsContact O-N 3.14Å; K132-R134 PolarHBondContact O-N 3.4Å
133T45.3Very low50.3Low129 Ų129134.7 Ų134.779%0.79183%0.827SS**  trans-8595.3157.652.10000107.7K131 G135K131-T133 PolarHBondContact O-N 3.11Å; T133-G135 PolarHBondContact O-N 3.14Å; T133-G135 VanDerWaalsContact O-N 3.11Å
134R52.1Low50Low231 Ų231139.3 Ų139.387%0.87285%0.851SS**  trans-69.3100.8162.8-91.2-171.8-75.8-161.6-2.6107.2K132K132-R134 PolarHBondContact O-N 3.4Å
135G55.5Low49.5Very low75 Ų75141.5 Ų141.577%0.77386%0.861SS**  trans-81.4109.9166.100000108.9T133T133-G135 PolarHBondContact O-N 3.14Å; T133-G135 VanDerWaalsContact O-N 3.11Å
136T45.9Very low48.9Very low146 Ų146143.3 Ų143.390%0.89687%0.868SS**  trans-55.8131.4160-5.70000109.3
137S49.9Very low49.3Very low191 Ų191144.7 Ų144.7100%1.33687%0.868SS**  trans-148.70151-157.50000109.7

Retrieved 137 of 137 residues in 176.1 ms (Link to these results)