A0A060XLY4_ONCMY Loading...

RecQ mediated genome instability 2

AlphaFold DB , UniProt , Accession A0A060XLY4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rmi2, Length 147 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
1M35.8Very low39.3Very low249 Ų249151.1 Ų151.1100%1.22785%0.846SS**  093.50-71.8173.4178.400105.4
2D34.2Very low41.6Very low161 Ų161154.6 Ų154.686%0.86185%0.846SS**  trans-104.7103.3-172.3-167.814.6000107.8G4D2-G4 VanDerWaalsContact C-N 3.32Å; D2-G4 PolarHBondContact O-N 3.03Å; D2-G4 VanDerWaalsContact O-N 3.15Å
3S40.3Very low44.3Very low113 Ų113146.4 Ų146.479%0.7981%0.806SS**  trans-82.279.9176.241.20000109Q5S3-Q5 PolarHBondContact O-N 3.29Å
4G34.9Very low47.5Very low66 Ų66141.8 Ų141.868%0.6879%0.787SS**  trans-67.7117.3170.500000110.9D2 I6D2-G4 VanDerWaalsContact C-N 3.32Å; D2-G4 PolarHBondContact O-N 3.03Å; D2-G4 VanDerWaalsContact O-N 3.15Å; G4-I6 PolarHBondContact O-N 3.31Å
5Q38.4Very low50.6Low192 Ų192135.1 Ų135.190%0.89775%0.753SS**  trans-49.5128.8179.2-76.5164.5-33.100112.7S3 S7S3-Q5 PolarHBondContact O-N 3.29Å; Q5-S7 PolarHBondContact O-N 3.39Å; Q5-S7 VanDerWaalsContact O-N 3.11Å
6I39.6Very low53.4Low167 Ų167127.8 Ų127.886%0.85671%0.711SS**  trans-63.5109.8167.4-57167.2000107.1G4 G8G4-I6 PolarHBondContact O-N 3.31Å; I6-G8 PolarHBondContact O-N 3.12Å
7S38.7Very low56.1Low103 Ų103122.8 Ų122.872%0.7268%0.68SS**  trans-49.8113.2171.857.30000109.2Q5 E9Q5-S7 PolarHBondContact O-N 3.39Å; Q5-S7 VanDerWaalsContact O-N 3.11Å; S7-E9 PolarHBondContact O-N 3.47Å
8G37.1Very low58.4Low68 Ų68116 Ų11670%0.70164%0.643SS**  trans-55.2114177.800000109.8I6 N10I6-G8 PolarHBondContact O-N 3.12Å; G8-N10 PolarHBondContact O-N 3.38Å
9E39.3Very low60.5Low186 Ų186110.1 Ų110.187%0.86961%0.61SS**  trans-52.1115.6169.2-72.9-178.5129.600107.9S7 K11S7-E9 PolarHBondContact O-N 3.47Å; E9-K11 VanDerWaalsContact C-N 3.27Å; E9-K11 PolarHBondContact O-N 2.89Å
10N44.5Very low62.4Low155 Ų155104.6 Ų104.683%0.82958%0.579SS**  trans-58.192.7172.1-82.9-44.2000108.2G8 K12G8-N10 PolarHBondContact O-N 3.38Å; N10-K12 VanDerWaalsContact C-N 3.31Å; N10-K12 PolarHBondContact O-N 3.18Å
11K49.9Very low64Low202 Ų202100.8 Ų100.888%0.87856%0.56SS**  trans-55.997.7169.5-88.8-179.2175.9175.20107.4E9 S13E9-K11 VanDerWaalsContact C-N 3.27Å; E9-K11 PolarHBondContact O-N 2.89Å; K11-S13 PolarHBondContact O-N 2.77Å
12K66.4Low67Low193 Ų19389.6 Ų89.684%0.83951%0.505SS*.PPolyproline II helixtrans-62.4123.9175.5-68.3-178.7-178.5174.90106.7N10N10-K12 VanDerWaalsContact C-N 3.31Å; N10-K12 PolarHBondContact O-N 3.18Å
13S76.8Confident70Confident48 Ų4882 Ų8234%0.33646%0.464SS..PPolyproline II helixtrans-54.3134.9176.7-55.80000109.4K11 S53K11-S13 PolarHBondContact O-N 2.77Å; S13-S53 WeakPolarHBondContact CB-OG 3.22Å
14P89Confident72.7Confident82 Ų8280.1 Ų80.153%0.53244%0.44SS..PPolyproline II helixtrans-63.2152.217827.7-33.9000110.1I16P14-I16 HydrophobicContact CG-CD1 4Å; P14-I16 PolarHBondContact O-N 3.07Å; P14-I16 VanDerWaalsContact O-N 3.14Å
15P93.7Very high75.6Confident42 Ų4282.6 Ų82.627%0.27343%0.433SS..  trans-62.9115.817225.4-31.6000110V54 W56 M104P15-V54 WeakPolarHBondContact CA-O 3.32Å; P15-V54 HydrophobicContact CB-CG1 4.02Å; P15-W56 HydrophobicContact CB-CB 4.39Å; P15-M104 HydrophobicContact CB-CE 3.84Å; P15-M104 HydrophobicContact CB-CG 3.95Å; P15-M104 HydrophobicContact CB-SD 4.13Å; P15-M104 HydrophobicContact CG-CE 3.67Å; P15-M104 HydrophobicContact CG-CG 4.48Å; P15-M104 HydrophobicContact CG-SD 4.01Å
16I96.3Very high78.3Confident17 Ų1774.2 Ų74.29%0.08740%0.399CS..EExtended strand (participates in β ladder)trans-90131.3178-55.9-51.8000109.4P14 V18 L50 V52 V54 V55 W56 L146P14-I16 HydrophobicContact CG-CD1 4Å; P14-I16 PolarHBondContact O-N 3.07Å; P14-I16 VanDerWaalsContact O-N 3.14Å; I16-V18 HydrophobicContact CG2-CG1 4.15Å; I16-V18 PolarHBondContact O-N 3.3Å; I16-L50 HydrophobicContact CG2-CD1 4.43Å; I16-V52 HydrophobicContact CB-CG1 3.87Å; I16-V52 HydrophobicContact CG1-CG1 3.9Å; I16-V52 HydrophobicContact CG2-CG1 4.09Å; I16-V54 PolarHBondContact N-O 3.14Å; I16-V54 VanDerWaalsContact N-O 3.11Å; I16-V55 CarbonylContact O-C 3.53Å; I16-V55 VanDerWaalsContact O-CA 3.29Å; I16-V55 WeakPolarHBondContact O-CA 3.34Å; I16-W56 PolarHBondContact O-N 2.95Å; I16-L146 HydrophobicContact CD1-CD1 3.91Å; I16-L146 HydrophobicContact CD1-CD2 4.5Å; I16-L146 HydrophobicContact CG2-CD1 4.12Å
17K97.9Very high80.9Confident44 Ų4473.9 Ų73.919%0.19139%0.391CS..EExtended strand (participates in β ladder)trans-67.6127.6173.8-61-178.7178.6-1760109.8W56 W135 E138 V139 L142 Q143K17-W56 WeakPolarHBondContact CA-O 3.24Å; K17-W56 HydrophobicContact CG-CB 4.18Å; K17-W56 HydrophobicContact CG-CG 4.29Å; K17-W135 HydrophobicContact CB-CH2 3.58Å; K17-W135 HydrophobicContact CB-CZ2 4.21Å; K17-W135 HydrophobicContact CB-CZ3 4.18Å; K17-W135 HydrophobicContact CD-CH2 3.92Å; K17-W135 HydrophobicContact CD-CZ3 3.67Å; K17-W135 HydrophobicContact CG-CH2 3.59Å; K17-W135 HydrophobicContact CG-CZ3 3.9Å; K17-E138 HydrophobicContact CD-CB 4.2Å; K17-E138 IonicContact NZ-OE2 2.7Å; K17-E138 PolarHBondContact NZ-OE2 3.14Å; K17-V139 HydrophobicContact CB-CG2 3.97Å; K17-L142 HydrophobicContact CB-CD2 3.69Å; K17-L142 HydrophobicContact CD-CB 4.47Å; K17-L142 HydrophobicContact CD-CD2 3.98Å; K17-L142 HydrophobicContact CG-CD2 3.61Å; K17-Q143 PolarHBondContact O-NE2 3.03Å
18V97.8Very high83.5Confident0 Ų074 Ų740%038%0.383CS..  trans-145161-177.5-570000111.6I16 L23 I39 V55 W56 M57I16-V18 HydrophobicContact CG2-CG1 4.15Å; I16-V18 PolarHBondContact O-N 3.3Å; V18-L23 HydrophobicContact CG2-CD1 4.26Å; V18-L23 HydrophobicContact CG2-CD2 4.07Å; V18-L23 HydrophobicContact CG2-CG 4.1Å; V18-I39 HydrophobicContact CB-CD1 4.3Å; V18-I39 HydrophobicContact CG1-CD1 3.37Å; V18-V55 HydrophobicContact CG1-CG1 4.2Å; V18-V55 HydrophobicContact CG2-CB 3.76Å; V18-V55 HydrophobicContact CG2-CG1 3.8Å; V18-V55 HydrophobicContact CG2-CG2 4.42Å; V18-W56 PolarHBondContact N-O 2.83Å; V18-M57 HydrophobicContact CG2-CG 3.59Å; V18-M57 HydrophobicContact CG2-SD 3.97Å
19L98.3Very high85.9Confident4 Ų472.6 Ų72.62%0.02136%0.363CS..  trans-102.4156.9168.8-63.1165.8000111.2S21 Q22 L23 L42 D75 T77 T136 V139L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.31Å; L19-Q22 HydrophobicContact CB-CG 4.31Å; L19-Q22 WeakPolarHBondContact O-CB 3.43Å; L19-Q22 PolarHBondContact O-N 3.39Å; L19-Q22 VanDerWaalsContact O-N 3.12Å; L19-L23 PolarHBondContact O-N 3.46Å; L19-L42 HydrophobicContact CD1-CD2 3.94Å; L19-D75 WeakPolarHBondContact CA-OD2 3.49Å; L19-T77 HydrophobicContact CB-CG2 4.01Å; L19-T77 HydrophobicContact CD1-CG2 3.81Å; L19-T77 HydrophobicContact CD2-CG2 4.29Å; L19-T77 HydrophobicContact CG-CG2 4.25Å; L19-T136 HydrophobicContact CD1-CG2 4.19Å; L19-V139 HydrophobicContact CD2-CG2 4.43Å; L19-V139 HydrophobicContact CG-CG1 4.3Å; L19-V139 HydrophobicContact CG-CG2 4.28Å
20S98.3Very high88.2Confident0 Ų073.3 Ų73.30%036%0.358CS..Hα-helixtrans-61.5-36.8-178.770.80000112.1Q22 L23 R24 D75 T77 G78 P114S20-Q22 PolarHBondContact O-N 2.89Å; S20-L23 PolarHBondContact O-N 2.87Å; S20-R24 WeakPolarHBondContact O-CB 3.23Å; S20-R24 PolarHBondContact O-N 2.86Å; S20-D75 WeakPolarHBondContact CB-OD2 3.34Å; S20-D75 PolarHBondContact N-OD2 3.38Å; S20-D75 PolarHBondContact OG-OD1 2.7Å; S20-D75 PolarHBondContact OG-OD2 2.85Å; S20-T77 PolarHBondContact N-OG1 3.48Å; S20-T77 PolarHBondContact OG-OG1 3.3Å; S20-G78 WeakPolarHBondContact OG-CA 3.32Å; S20-G78 PolarHBondContact OG-N 3.24Å; S20-G78 PolarHBondContact OG-O 2.86Å; S20-G78 VanDerWaalsContact OG-O 3.1Å; S20-P114 WeakPolarHBondContact O-CG 3.44Å
21S97.4Very high89.8Confident25 Ų2570.2 Ų70.218%0.17534%0.341CS..Hα-helixtrans-62-39.4173.7590000113.1L19 L23 R24 E25 T77L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.31Å; S21-L23 VanDerWaalsContact C-N 3.28Å; S21-L23 PolarHBondContact O-N 3.02Å; S21-R24 PolarHBondContact O-N 3.02Å; S21-E25 WeakPolarHBondContact O-CB 3.35Å; S21-E25 WeakPolarHBondContact O-CG 3.48Å; S21-E25 PolarHBondContact O-N 3.35Å; S21-T77 PolarHBondContact N-OG1 2.94Å; S21-T77 WeakPolarHBondContact OG-CB 3.34Å; S21-T77 PolarHBondContact OG-OG1 3.36Å
22Q97.1Very high91.3Very high14 Ų1468.8 Ų68.87%0.06534%0.343CS..Hα-helixtrans-63-38.3178.3-64.1-175.4-81.500111.4L19 S20 G26 I39 K40L19-Q22 HydrophobicContact CB-CG 4.31Å; L19-Q22 WeakPolarHBondContact O-CB 3.43Å; L19-Q22 PolarHBondContact O-N 3.39Å; L19-Q22 VanDerWaalsContact O-N 3.12Å; S20-Q22 PolarHBondContact O-N 2.89Å; Q22-G26 PolarHBondContact O-N 3.38Å; Q22-G26 VanDerWaalsContact O-N 3.14Å; Q22-I39 HydrophobicContact CB-CB 4.47Å; Q22-I39 HydrophobicContact CB-CD1 4.48Å; Q22-I39 WeakPolarHBondContact O-CG2 3.43Å; Q22-K40 PolarHBondContact NE2-O 2.74Å
23L97.3Very high92Very high0 Ų063 Ų630%034%0.338CS..Hα-helixtrans-67.5-47.8173.2-62.6-170.8000110.6V18 L19 S20 S21 E25 G26 I39 V55 M57 I107 L110 P114 L116V18-L23 HydrophobicContact CG2-CD1 4.26Å; V18-L23 HydrophobicContact CG2-CD2 4.07Å; V18-L23 HydrophobicContact CG2-CG 4.1Å; L19-L23 PolarHBondContact O-N 3.46Å; S20-L23 PolarHBondContact O-N 2.87Å; S21-L23 VanDerWaalsContact C-N 3.28Å; S21-L23 PolarHBondContact O-N 3.02Å; L23-E25 VanDerWaalsContact C-N 3.28Å; L23-E25 PolarHBondContact O-N 3.23Å; L23-G26 WeakPolarHBondContact O-CA 3.36Å; L23-G26 PolarHBondContact O-N 3.43Å; L23-I39 HydrophobicContact CD2-CG2 3.99Å; L23-V55 HydrophobicContact CD2-CG1 4.4Å; L23-M57 HydrophobicContact CD1-CE 4.27Å; L23-M57 HydrophobicContact CD1-SD 3.56Å; L23-M57 VanDerWaalsContact CD1-SD 3.56Å; L23-I107 HydrophobicContact CD2-CD1 3.93Å; L23-L110 HydrophobicContact CB-CD2 3.94Å; L23-L110 HydrophobicContact CD2-CD2 4.05Å; L23-L110 WeakPolarHBondContact O-CB 3.41Å; L23-L110 WeakPolarHBondContact O-CD2 3.29Å; L23-P114 HydrophobicContact CB-CB 3.91Å; L23-P114 HydrophobicContact CB-CG 3.9Å; L23-P114 HydrophobicContact CD1-CB 3.95Å; L23-L116 HydrophobicContact CD1-CD2 4.15Å
24R97.6Very high92.3Very high74 Ų7466.6 Ų66.628%0.27935%0.347SS..Hα-helixtrans-59.4-37.1-178-163.9-178.8-60.1118.99.5113.3S20 S21 G26 T77 T79 L110 P112 P114S20-R24 WeakPolarHBondContact O-CB 3.23Å; S20-R24 PolarHBondContact O-N 2.86Å; S21-R24 PolarHBondContact O-N 3.02Å; R24-G26 VanDerWaalsContact C-N 3.35Å; R24-T77 PolarHBondContact NH1-O 2.9Å; R24-T79 PolarHBondContact NH2-O 3.3Å; R24-L110 WeakPolarHBondContact CA-O 3.44Å; R24-P112 WeakPolarHBondContact CD-O 3.34Å; R24-P112 WeakPolarHBondContact CG-O 3.19Å; R24-P112 PolarHBondContact NE-O 3.28Å; R24-P114 HydrophobicContact CB-CG 4.32Å
25E96.2Very high92.2Very high118 Ų11865.8 Ų65.855%0.55134%0.338SS*.THydrogen-bonded Turntrans-86.7-6.4176-66.3178.2-152.100113.8S21 L23 K40S21-E25 WeakPolarHBondContact O-CB 3.35Å; S21-E25 WeakPolarHBondContact O-CG 3.48Å; S21-E25 PolarHBondContact O-N 3.35Å; L23-E25 VanDerWaalsContact C-N 3.28Å; L23-E25 PolarHBondContact O-N 3.23Å; E25-K40 IonicContact OE2-NZ 3.68Å
26G95.3Very high92Very high16 Ų1666.1 Ų66.117%0.16534%0.336CS..  trans-68.3170.5179.700000112.7Q22 L23 R24 N38Q22-G26 PolarHBondContact O-N 3.38Å; Q22-G26 VanDerWaalsContact O-N 3.14Å; L23-G26 WeakPolarHBondContact O-CA 3.36Å; L23-G26 PolarHBondContact O-N 3.43Å; R24-G26 VanDerWaalsContact C-N 3.35Å; G26-N38 CarbonylContact C-O 3.5Å; G26-N38 WeakPolarHBondContact CA-O 3.48Å
27K94.9Very high91.9Very high161 Ų16165.6 Ų65.670%0.733%0.333SS*.EExtended strand (participates in β ladder)trans-124.5134.3175.7-62.9-176.1-179.8-177.60109.7N38K27-N38 PolarHBondContact N-O 2.79Å; K27-N38 PolarHBondContact O-N 3.32Å
28D92.4Very high91.7Very high104 Ų10465.7 Ų65.756%0.55634%0.336SS*.EExtended strand (participates in β ladder)trans-90.1149.716761.4-2.8000110.7L35 E36 F37 L110D28-L35 HydrophobicContact CB-CD1 4.19Å; D28-E36 CarbonylContact C-O 3.54Å; D28-E36 WeakPolarHBondContact CA-O 3.15Å; D28-F37 HydrophobicContact CB-CD1 3.72Å; D28-F37 HydrophobicContact CB-CE1 3.87Å; D28-L110 HydrophobicContact CB-CD1 4.43Å
29S88.3Confident91.6Very high40 Ų4065.8 Ų65.828%0.2834%0.336SS..EExtended strand (participates in β ladder)trans-146.1156.6173.760.60000109.4E36S29-E36 PolarHBondContact N-O 2.98Å; S29-E36 PolarHBondContact O-N 2.96Å
30R86.5Confident91.4Very high201 Ų20172.1 Ų72.176%0.75836%0.364SS*.EExtended strand (participates in β ladder)trans-109.9117.6173.5-68.7-178.3178.2-127.52109.1K34 L35R30-K34 WeakPolarHBondContact CA-O 3.35Å; R30-L35 HydrophobicContact CG-CD1 4.13Å
31L78.7Confident91.1Very high89 Ų8973.6 Ų73.647%0.46637%0.369SS..EExtended strand (participates in β ladder)trans-120.5120.9174.8-83.2155.7000108G33 K34 E36L31-G33 PolarHBondContact O-N 3.1Å; L31-G33 VanDerWaalsContact O-N 3.16Å; L31-K34 PolarHBondContact N-O 2.72Å; L31-K34 WeakPolarHBondContact O-CB 3.44Å; L31-K34 PolarHBondContact O-N 3.02Å; L31-E36 WeakPolarHBondContact CD1-OE2 3.45Å
32N81.9Confident90.9Very high172 Ų17274.8 Ų74.892%0.9237%0.373SS*.THydrogen-bonded Turntrans51.837.5-177.8-59-26000114K34N32-K34 PolarHBondContact O-N 3.23Å
33G81.1Confident90.3Very high71 Ų7175.3 Ų75.373%0.73238%0.382SS*.THydrogen-bonded Turntrans76.8-4.9-178.400000115.1L31L31-G33 PolarHBondContact O-N 3.1Å; L31-G33 VanDerWaalsContact O-N 3.16Å
34K82.4Confident89.2Confident124 Ų12484.7 Ų84.754%0.53943%0.426SS..EExtended strand (participates in β ladder)trans-91.3135.8174.8-169.2178.5176.8-172.70110.2R30 L31 N32R30-K34 WeakPolarHBondContact CA-O 3.35Å; L31-K34 PolarHBondContact N-O 2.72Å; L31-K34 WeakPolarHBondContact O-CB 3.44Å; L31-K34 PolarHBondContact O-N 3.02Å; N32-K34 PolarHBondContact O-N 3.23Å
35L86.1Confident88.1Confident66 Ų6687.4 Ų87.435%0.34645%0.446SS..EExtended strand (participates in β ladder)trans-78127173.7-166.863.7000109.3D28 R30 F37D28-L35 HydrophobicContact CB-CD1 4.19Å; R30-L35 HydrophobicContact CG-CD1 4.13Å; L35-F37 HydrophobicContact CD2-CE1 3.83Å; L35-F37 HydrophobicContact CD2-CE2 3.87Å; L35-F37 HydrophobicContact CD2-CZ 3.21Å; L35-F37 HydrophobicContact CG-CE1 4.02Å; L35-F37 HydrophobicContact CG-CE2 3.97Å; L35-F37 HydrophobicContact CG-CZ 3.62Å
36E90.1Very high87.2Confident48 Ų4885 Ų8522%0.22443%0.433CS..EExtended strand (participates in β ladder)trans-122137.7176.9-66.4-167.3173.200109.7D28 S29 L31 V51D28-E36 CarbonylContact C-O 3.54Å; D28-E36 WeakPolarHBondContact CA-O 3.15Å; S29-E36 PolarHBondContact N-O 2.98Å; S29-E36 PolarHBondContact O-N 2.96Å; L31-E36 WeakPolarHBondContact CD1-OE2 3.45Å; E36-V51 HydrophobicContact CB-CG1 4.13Å; E36-V51 HydrophobicContact CG-CG1 4.29Å
37F93.9Very high86.3Confident6 Ų692.3 Ų92.33%0.02647%0.469CS..EExtended strand (participates in β ladder)trans-115.1122.9178.9-56.2-79.9000109.1D28 L35 V51 V52 I107 L110D28-F37 HydrophobicContact CB-CD1 3.72Å; D28-F37 HydrophobicContact CB-CE1 3.87Å; L35-F37 HydrophobicContact CD2-CE1 3.83Å; L35-F37 HydrophobicContact CD2-CE2 3.87Å; L35-F37 HydrophobicContact CD2-CZ 3.21Å; L35-F37 HydrophobicContact CG-CE1 4.02Å; L35-F37 HydrophobicContact CG-CE2 3.97Å; L35-F37 HydrophobicContact CG-CZ 3.62Å; F37-V51 CarbonylContact O-C 3.59Å; F37-V51 WeakPolarHBondContact O-CA 3.38Å; F37-V52 HydrophobicContact CB-CG2 4.06Å; F37-V52 WeakPolarHBondContact CB-O 3.25Å; F37-V52 PolarHBondContact N-O 3.03Å; F37-V52 PolarHBondContact O-N 3.07Å; F37-I107 HydrophobicContact CB-CD1 3.98Å; F37-I107 HydrophobicContact CD1-CG2 3.89Å; F37-I107 HydrophobicContact CD2-CB 3.79Å; F37-I107 HydrophobicContact CD2-CD1 3.89Å; F37-I107 HydrophobicContact CD2-CG1 4.45Å; F37-I107 HydrophobicContact CD2-CG2 3.92Å; F37-I107 HydrophobicContact CE1-CB 4.48Å; F37-I107 HydrophobicContact CE1-CG2 3.66Å; F37-I107 HydrophobicContact CE2-CB 3.59Å; F37-I107 HydrophobicContact CE2-CG2 3.69Å; F37-I107 HydrophobicContact CG-CB 4.3Å; F37-I107 HydrophobicContact CG-CD1 4Å; F37-I107 HydrophobicContact CG-CG2 3.98Å; F37-I107 HydrophobicContact CZ-CB 3.93Å; F37-I107 HydrophobicContact CZ-CG2 3.51Å; F37-L110 HydrophobicContact CB-CD1 4.4Å; F37-L110 HydrophobicContact CB-CD2 4.41Å; F37-L110 HydrophobicContact CD1-CD1 3.7Å; F37-L110 HydrophobicContact CD1-CD2 3.91Å; F37-L110 HydrophobicContact CD1-CG 3.64Å; F37-L110 HydrophobicContact CE1-CG 4.1Å; F37-L110 HydrophobicContact CG-CD2 4.38Å
38N94.5Very high86Confident46 Ų4688.4 Ų88.425%0.24646%0.459CS..EExtended strand (participates in β ladder)trans-105.4122.7-179.9-71.6-86.6000109.3G26 K27 A49 L50 V51G26-N38 CarbonylContact C-O 3.5Å; G26-N38 WeakPolarHBondContact CA-O 3.48Å; K27-N38 PolarHBondContact N-O 2.79Å; K27-N38 PolarHBondContact O-N 3.32Å; N38-A49 HydrophobicContact CB-CB 4.44Å; N38-L50 WeakPolarHBondContact CA-O 3.48Å; N38-V51 WeakPolarHBondContact OD1-CG2 3.5Å
39I95.3Very high85.9Confident2 Ų286.3 Ų86.31%0.0146%0.456CS..EExtended strand (participates in β ladder)trans-118.5152.1176.766.8175.2000110.8V18 Q22 L23 A49 L50 V52V18-I39 HydrophobicContact CB-CD1 4.3Å; V18-I39 HydrophobicContact CG1-CD1 3.37Å; Q22-I39 HydrophobicContact CB-CB 4.47Å; Q22-I39 HydrophobicContact CB-CD1 4.48Å; Q22-I39 WeakPolarHBondContact O-CG2 3.43Å; L23-I39 HydrophobicContact CD2-CG2 3.99Å; I39-A49 CarbonylContact O-C 3.58Å; I39-A49 WeakPolarHBondContact O-CA 3.39Å; I39-L50 HydrophobicContact CD1-CB 4.4Å; I39-L50 HydrophobicContact CG1-CB 3.78Å; I39-L50 PolarHBondContact N-O 3.43Å; I39-L50 PolarHBondContact O-N 2.72Å; I39-V52 HydrophobicContact CD1-CG1 3.95Å; I39-V52 HydrophobicContact CD1-CG2 4.22Å; I39-V52 HydrophobicContact CG1-CG1 4.29Å; I39-V52 HydrophobicContact CG1-CG2 4.35Å; I39-V52 HydrophobicContact CG2-CG2 4.01Å
40K93.9Very high86.1Confident137 Ų13785.1 Ų85.160%0.59645%0.446SS*.PPolyproline II helixtrans-73.2139168.8-66.8178.2-175.1166.40109.4Q22 E25Q22-K40 PolarHBondContact NE2-O 2.74Å; E25-K40 IonicContact OE2-NZ 3.68Å
41R93.1Very high86.4Confident32 Ų3279.3 Ų79.312%0.12143%0.433CS..PPolyproline II helixtrans-67.5148.2171.8-70.2176.6-171.2-112.38.7110.6T48 L50 Q143 L146 T147R41-T48 VanDerWaalsContact CD-O 3.23Å; R41-T48 WeakPolarHBondContact CD-O 3.42Å; R41-T48 WeakPolarHBondContact CG-O 3.3Å; R41-T48 PolarHBondContact NE-O 2.95Å; R41-T48 PolarHBondContact NE-OG1 2.81Å; R41-L50 HydrophobicContact CG-CD1 3.64Å; R41-L50 HydrophobicContact CG-CG 3.64Å; R41-L50 VanDerWaalsContact NH2-CD2 3.27Å; R41-Q143 VanDerWaalsContact CA-OE1 3.31Å; R41-Q143 HydrophobicContact CG-CB 4.49Å; R41-Q143 PolarHBondContact NH1-O 3.46Å; R41-L146 PolarHBondContact NH1-O 3.15Å; R41-T147 PolarHBondContact NH2-OXT 3.13Å
42L91.3Very high87.1Confident49 Ų4975.1 Ų75.126%0.25741%0.411SS..SBendtrans-85.2138.7164.7-168.462.8000108.9L19 T136 V139 E140L19-L42 HydrophobicContact CD1-CD2 3.94Å; L42-T136 HydrophobicContact CD2-CG2 3.98Å; L42-V139 HydrophobicContact CB-CG1 4.44Å; L42-V139 HydrophobicContact CD2-CB 4.37Å; L42-V139 HydrophobicContact CD2-CG1 4.01Å; L42-E140 HydrophobicContact CB-CB 4.43Å; L42-E140 HydrophobicContact CD2-CB 3.83Å; L42-E140 HydrophobicContact CG-CB 3.99Å; L42-E140 HydrophobicContact CG-CG 4.31Å
43G84.6Confident87.6Confident25 Ų2568.6 Ų68.626%0.25838%0.379SS..SBendtrans98.9168.2-177.100000114.6E140G43-E140 WeakPolarHBondContact CA-OE1 3.43Å
44Q76.1Confident88.2Confident197 Ų19766.3 Ų66.392%0.92135%0.35SS*.SBendtrans-97.4-12.7-168.4-65.1-172.8-31.400114.9
45L74.1Confident88.9Confident132 Ų13260.4 Ų60.469%0.69133%0.325SS*.SBendtrans-77.3-24.5-168.1-66177.4000114.4Q144L45-Q144 HydrophobicContact CD1-CB 4.43Å; L45-Q144 HydrophobicContact CD1-CG 4.34Å
46K76.4Confident89.5Confident66 Ų6661 Ų6129%0.28732%0.323SS..  trans-138.8120.6-175.1-69.5177.7177.2164.50110.5T48 Q144 L146K46-T48 VanDerWaalsContact C-N 3.33Å; K46-Q144 WeakPolarHBondContact CE-O 3.25Å; K46-Q144 PolarHBondContact NZ-O 3.07Å; K46-L146 PolarHBondContact NZ-O 3.09Å
47N77.4Confident89.9Confident171 Ų17158.8 Ų58.891%0.91431%0.312SS*.  trans-94.716.4177.8-159.320000113.3
48T87.9Confident90.1Very high79 Ų7958.7 Ų58.749%0.48531%0.312SS..  trans-88.7139.7178.755.10000110.7R41 K46R41-T48 VanDerWaalsContact CD-O 3.23Å; R41-T48 WeakPolarHBondContact CD-O 3.42Å; R41-T48 WeakPolarHBondContact CG-O 3.3Å; R41-T48 PolarHBondContact NE-O 2.95Å; R41-T48 PolarHBondContact NE-OG1 2.81Å; K46-T48 VanDerWaalsContact C-N 3.33Å
49A90.8Very high90.2Very high60 Ų6056.5 Ų56.550%0.49630%0.3SS..  trans-66.7153.1173.900000111.5N38 I39N38-A49 HydrophobicContact CB-CB 4.44Å; I39-A49 CarbonylContact O-C 3.58Å; I39-A49 WeakPolarHBondContact O-CA 3.39Å
50L92.4Very high90.4Very high15 Ų1557.3 Ų57.38%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-104.3126172.3-79.1172.8000110.2I16 N38 I39 R41 V52 Q143 L146I16-L50 HydrophobicContact CG2-CD1 4.43Å; N38-L50 WeakPolarHBondContact CA-O 3.48Å; I39-L50 HydrophobicContact CD1-CB 4.4Å; I39-L50 HydrophobicContact CG1-CB 3.78Å; I39-L50 PolarHBondContact N-O 3.43Å; I39-L50 PolarHBondContact O-N 2.72Å; R41-L50 HydrophobicContact CG-CD1 3.64Å; R41-L50 HydrophobicContact CG-CG 3.64Å; R41-L50 VanDerWaalsContact NH2-CD2 3.27Å; L50-V52 HydrophobicContact CB-CG1 4.26Å; L50-Q143 HydrophobicContact CD1-CB 4.14Å; L50-Q143 HydrophobicContact CD1-CG 3.69Å; L50-L146 HydrophobicContact CD1-CD1 4.37Å; L50-L146 HydrophobicContact CD2-CD1 4.28Å
51V92.5Very high90.5Very high78 Ų7850.8 Ų50.847%0.47328%0.277SS..EExtended strand (participates in β ladder)trans-82.8118168.8-175.70000108.6E36 F37 N38E36-V51 HydrophobicContact CB-CG1 4.13Å; E36-V51 HydrophobicContact CG-CG1 4.29Å; F37-V51 CarbonylContact O-C 3.59Å; F37-V51 WeakPolarHBondContact O-CA 3.38Å; N38-V51 WeakPolarHBondContact OD1-CG2 3.5Å
52V93.1Very high90.8Very high2 Ų252.4 Ų52.41%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-124.6151.6-178.1-62.30000110.8I16 F37 I39 L50 V55 I107I16-V52 HydrophobicContact CB-CG1 3.87Å; I16-V52 HydrophobicContact CG1-CG1 3.9Å; I16-V52 HydrophobicContact CG2-CG1 4.09Å; F37-V52 HydrophobicContact CB-CG2 4.06Å; F37-V52 WeakPolarHBondContact CB-O 3.25Å; F37-V52 PolarHBondContact N-O 3.03Å; F37-V52 PolarHBondContact O-N 3.07Å; I39-V52 HydrophobicContact CD1-CG1 3.95Å; I39-V52 HydrophobicContact CD1-CG2 4.22Å; I39-V52 HydrophobicContact CG1-CG1 4.29Å; I39-V52 HydrophobicContact CG1-CG2 4.35Å; I39-V52 HydrophobicContact CG2-CG2 4.01Å; L50-V52 HydrophobicContact CB-CG1 4.26Å; V52-V55 HydrophobicContact CB-CG1 4.37Å; V52-V55 HydrophobicContact CG2-CG1 4.4Å; V52-I107 HydrophobicContact CB-CD1 4.4Å; V52-I107 HydrophobicContact CG2-CD1 3.6Å
53S91.8Very high91Very high34 Ų3454.5 Ų54.524%0.23830%0.296CS..SBendtrans-141-40175.8570000111.4S13 M106 I107S13-S53 WeakPolarHBondContact CB-OG 3.22Å; S53-M106 WeakPolarHBondContact O-CA 3.47Å; S53-I107 PolarHBondContact O-N 3.34Å
54V94.9Very high91.4Very high23 Ų2355.1 Ų55.114%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-110.4133.4168.8-169.70000108.2P15 I16 M104 G105 M106P15-V54 WeakPolarHBondContact CA-O 3.32Å; P15-V54 HydrophobicContact CB-CG1 4.02Å; I16-V54 PolarHBondContact N-O 3.14Å; I16-V54 VanDerWaalsContact N-O 3.11Å; V54-M104 HydrophobicContact CG1-CE 3.61Å; V54-M104 HydrophobicContact CG1-CG 3.95Å; V54-G105 CarbonylContact C-O 3.57Å; V54-G105 WeakPolarHBondContact CA-O 3.34Å; V54-M106 HydrophobicContact CG2-CG 4.25Å
55V97.3Very high92.3Very high0 Ų050.7 Ų50.70%027%0.269CS..EExtended strand (participates in β ladder)trans-123.4154.7-178-65.30000111.3I16 V18 L23 V52 M57 M104 G105 I107 L116I16-V55 CarbonylContact O-C 3.53Å; I16-V55 VanDerWaalsContact O-CA 3.29Å; I16-V55 WeakPolarHBondContact O-CA 3.34Å; V18-V55 HydrophobicContact CG1-CG1 4.2Å; V18-V55 HydrophobicContact CG2-CB 3.76Å; V18-V55 HydrophobicContact CG2-CG1 3.8Å; V18-V55 HydrophobicContact CG2-CG2 4.42Å; L23-V55 HydrophobicContact CD2-CG1 4.4Å; V52-V55 HydrophobicContact CB-CG1 4.37Å; V52-V55 HydrophobicContact CG2-CG1 4.4Å; V55-M57 HydrophobicContact CB-CG 4.49Å; V55-M57 HydrophobicContact CG2-CG 4.17Å; V55-M57 HydrophobicContact CG2-SD 4.34Å; V55-M104 CarbonylContact O-C 3.58Å; V55-M104 VanDerWaalsContact O-CA 3.28Å; V55-M104 WeakPolarHBondContact O-CA 3.31Å; V55-G105 PolarHBondContact N-O 3.17Å; V55-G105 PolarHBondContact O-N 3.27Å; V55-I107 HydrophobicContact CG1-CD1 3.7Å; V55-I107 HydrophobicContact CG1-CG1 3.91Å; V55-I107 HydrophobicContact CG2-CG1 4.2Å; V55-L116 HydrophobicContact CG2-CD1 3.73Å; V55-L116 HydrophobicContact CG2-CD2 3.66Å; V55-L116 HydrophobicContact CG2-CG 4.36Å
56W98Very high92.9Very high80 Ų8050 Ų5030%0.30328%0.276SS..EExtended strand (participates in β ladder)trans-110.2121.3163.7-174.4-41.7000107.4P15 I16 K17 V18 M102 V103 W135P15-W56 HydrophobicContact CB-CB 4.39Å; I16-W56 PolarHBondContact O-N 2.95Å; K17-W56 WeakPolarHBondContact CA-O 3.24Å; K17-W56 HydrophobicContact CG-CB 4.18Å; K17-W56 HydrophobicContact CG-CG 4.29Å; V18-W56 PolarHBondContact N-O 2.83Å; W56-M102 HydrophobicContact CD2-CE 3.99Å; W56-M102 VanDerWaalsContact CE2-CE 3.47Å; W56-M102 HydrophobicContact CE3-CE 4.28Å; W56-M102 HydrophobicContact CH2-CE 3.65Å; W56-M102 HydrophobicContact CZ2-CE 3.3Å; W56-M102 HydrophobicContact CZ3-CE 4.12Å; W56-V103 CarbonylContact C-O 3.59Å; W56-V103 WeakPolarHBondContact CA-O 3.24Å; W56-W135 HydrophobicContact CB-CH2 4.38Å; W56-W135 AromaticContact CD1-CH2 3.22Å; W56-W135 AromaticContact CD1-CZ3 3.77Å; W56-W135 AromaticContact CG-CH2 3.93Å; W56-W135 HydrophobicContact CG-CH2 3.93Å; W56-W135 AromaticContact NE1-CH2 3.79Å; W56-W135 AromaticContact NE1-CZ3 3.84Å; W56-W135 WeakPolarHBondContact O-CH2 3.44Å; W56-W135 VanDerWaalsContact O-CZ2 3.29Å; W56-W135 WeakPolarHBondContact O-CZ2 3.38Å
57M98.3Very high93.5Very high0 Ų050.8 Ų50.80%028%0.283CS..EExtended strand (participates in β ladder)trans-123.9159174.3-64-170.871.700110.2V18 L23 V55 F80 M102 V103 L116V18-M57 HydrophobicContact CG2-CG 3.59Å; V18-M57 HydrophobicContact CG2-SD 3.97Å; L23-M57 HydrophobicContact CD1-CE 4.27Å; L23-M57 HydrophobicContact CD1-SD 3.56Å; L23-M57 VanDerWaalsContact CD1-SD 3.56Å; V55-M57 HydrophobicContact CB-CG 4.49Å; V55-M57 HydrophobicContact CG2-CG 4.17Å; V55-M57 HydrophobicContact CG2-SD 4.34Å; M57-F80 HydrophobicContact CB-CE2 3.99Å; M57-F80 HydrophobicContact CB-CZ 3.88Å; M57-F80 HydrophobicContact CE-CB 4.35Å; M57-F80 HydrophobicContact CE-CD1 3.68Å; M57-F80 HydrophobicContact CE-CD2 4.12Å; M57-F80 HydrophobicContact CE-CE1 3.9Å; M57-F80 HydrophobicContact CE-CE2 4.3Å; M57-F80 HydrophobicContact CE-CG 3.8Å; M57-F80 HydrophobicContact CE-CZ 4.19Å; M57-F80 HydrophobicContact SD-CD2 4.04Å; M57-F80 HydrophobicContact SD-CE2 4.19Å; M57-F80 HydrophobicContact SD-CG 4.27Å; M57-M102 CarbonylContact O-C 3.58Å; M57-M102 WeakPolarHBondContact O-CA 3.37Å; M57-V103 PolarHBondContact N-O 3.35Å; M57-V103 PolarHBondContact O-N 3.16Å; M57-L116 HydrophobicContact CG-CD1 4.3Å; M57-L116 HydrophobicContact SD-CD1 3.74Å; M57-L116 HydrophobicContact SD-CG 4.5Å
58Q98.1Very high93.8Very high5 Ų548.5 Ų48.52%0.02327%0.267CS..EExtended strand (participates in β ladder)trans-131.8150.3169.5-58.8-172.514.600109.2D75 Y100 V101 M102 L124 W135Q58-D75 VanDerWaalsContact O-CB 3.31Å; Q58-D75 WeakPolarHBondContact O-CB 3.42Å; Q58-Y100 HydrophobicContact CB-CE1 4.2Å; Q58-Y100 VanDerWaalsContact CB-OH 3.23Å; Q58-Y100 WeakPolarHBondContact CB-OH 3.23Å; Q58-Y100 VanDerWaalsContact OE1-CE1 3.3Å; Q58-Y100 PolarHBondContact OE1-OH 2.93Å; Q58-V101 VanDerWaalsContact CA-O 3.27Å; Q58-V101 WeakPolarHBondContact CA-O 3.25Å; Q58-M102 HydrophobicContact CG-CB 4.11Å; Q58-L124 HydrophobicContact CG-CD1 4.33Å; Q58-W135 HydrophobicContact CB-CD2 3.87Å; Q58-W135 HydrophobicContact CB-CE3 4.4Å; Q58-W135 HydrophobicContact CB-CG 4.02Å; Q58-W135 HydrophobicContact CB-CZ2 4.49Å; Q58-W135 HydrophobicContact CG-CD2 3.62Å; Q58-W135 HydrophobicContact CG-CE3 3.64Å; Q58-W135 HydrophobicContact CG-CG 4.23Å; Q58-W135 HydrophobicContact CG-CH2 4.08Å; Q58-W135 HydrophobicContact CG-CZ2 4.09Å; Q58-W135 HydrophobicContact CG-CZ3 3.86Å; Q58-W135 VanDerWaalsContact NE2-CZ3 3.3Å
59G98.1Very high94Very high0 Ų047 Ų470%026%0.255CS..EExtended strand (participates in β ladder)trans-177.1174.6179.900000113.2L74 Y100 V101G59-L74 CarbonylContact C-O 3.48Å; G59-L74 WeakPolarHBondContact CA-O 3.44Å; G59-Y100 WeakPolarHBondContact O-CA 3.17Å; G59-Y100 WeakPolarHBondContact O-CD2 3.35Å; G59-V101 PolarHBondContact N-O 2.73Å; G59-V101 PolarHBondContact O-N 3.16Å
60T98Very high94.2Very high18 Ų1844.4 Ų44.411%0.1123%0.234CC..EExtended strand (participates in β ladder)trans-97.8131.4176.9-45.70000109.2L62 L73 L74 N99 R132T60-L62 PolarHBondContact O-N 2.77Å; T60-L62 VanDerWaalsContact O-N 3.14Å; T60-L73 CarbonylContact O-C 3.59Å; T60-L73 VanDerWaalsContact O-CA 3.24Å; T60-L73 WeakPolarHBondContact O-CA 3.41Å; T60-L74 PolarHBondContact N-O 3.48Å; T60-L74 PolarHBondContact O-N 2.86Å; T60-N99 CarbonylContact C-O 3.56Å; T60-N99 WeakPolarHBondContact CA-O 3.43Å; T60-R132 PolarHBondContact OG1-NH2 3.36Å
61I97.2Very high94.4Very high1 Ų143.7 Ų43.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-68.3112.5174.9-59.3-179.5000108.5V64 L73 C94 L95 G98 N99 V101 M121I61-V64 HydrophobicContact CG2-CG2 3.81Å; I61-L73 HydrophobicContact CG1-CD2 4.19Å; I61-L73 HydrophobicContact CG1-CG 4.45Å; I61-C94 WeakPolarHBondContact CD1-O 3.45Å; I61-L95 HydrophobicContact CD1-CD2 4.45Å; I61-G98 PolarHBondContact O-N 3.21Å; I61-N99 HydrophobicContact CD1-CB 4.35Å; I61-N99 PolarHBondContact N-O 2.81Å; I61-V101 HydrophobicContact CD1-CG1 4.07Å; I61-V101 HydrophobicContact CD1-CG2 4.41Å; I61-V101 HydrophobicContact CG1-CG1 4.39Å; I61-V101 HydrophobicContact CG1-CG2 4.1Å; I61-M121 HydrophobicContact CD1-CE 3.89Å; I61-M121 HydrophobicContact CG1-CE 4.3Å
62L97.8Very high94.6Very high65 Ų6541.7 Ų41.734%0.3422%0.217SC..EExtended strand (participates in β ladder)trans-84-37173.3-64.8-169.7000111.7T60 L72 L74 T79 Q97T60-L62 PolarHBondContact O-N 2.77Å; T60-L62 VanDerWaalsContact O-N 3.14Å; L62-L72 HydrophobicContact CB-CD2 4.24Å; L62-L72 HydrophobicContact CB-CG 4.29Å; L62-L72 HydrophobicContact CD1-CD2 4.23Å; L62-L72 HydrophobicContact CD1-CG 4.43Å; L62-L72 PolarHBondContact N-O 2.79Å; L62-L74 HydrophobicContact CD1-CB 3.76Å; L62-L74 HydrophobicContact CD1-CD2 4.41Å; L62-L74 HydrophobicContact CD2-CB 3.89Å; L62-L74 HydrophobicContact CD2-CD2 4.13Å; L62-L74 HydrophobicContact CG-CB 3.73Å; L62-T79 HydrophobicContact CD1-CG2 4.05Å; L62-Q97 VanDerWaalsContact O-CD 3.25Å; L62-Q97 VanDerWaalsContact O-CG 3.32Å; L62-Q97 WeakPolarHBondContact O-CG 3.48Å; L62-Q97 PolarHBondContact O-NE2 2.82Å
63E96.5Very high94.9Very high93 Ų9341.6 Ų41.644%0.43522%0.216SC..EExtended strand (participates in β ladder)trans-150.6138.9-176.1-168.7-168.7151.800110.2V71 L72E63-V71 CarbonylContact O-C 3.54Å; E63-V71 VanDerWaalsContact O-CA 3.31Å; E63-V71 WeakPolarHBondContact O-CA 3.08Å; E63-L72 HydrophobicContact CB-CB 4.08Å; E63-L72 PolarHBondContact N-O 2.78Å; E63-L72 PolarHBondContact O-N 3.01Å
64V93.8Very high95.2Very high39 Ų3943.2 Ų43.224%0.23622%0.222CC..EExtended strand (participates in β ladder)trans-106.2116.7161.8-176.70000106.4I61 V71I61-V64 HydrophobicContact CG2-CG2 3.81Å; V64-V71 HydrophobicContact CB-CG1 4.35Å; V64-V71 HydrophobicContact CG1-CG1 4.18Å; V64-V71 HydrophobicContact CG2-CG1 4.02Å
65R93.3Very high95.3Very high103 Ų10342.5 Ų42.539%0.38922%0.217SC..  trans-65.1160.3-177.4-64.4-163.4-176.3173.3-0.5110.7D67 H68 T70R65-D67 PolarHBondContact O-N 2.96Å; R65-D67 VanDerWaalsContact O-N 3.11Å; R65-H68 WeakPolarHBondContact O-CA 3.5Å; R65-H68 PolarHBondContact O-N 3.04Å; R65-T70 WeakPolarHBondContact CB-O 3.05Å; R65-T70 HydrophobicContact CG-CG2 4.04Å; R65-T70 PolarHBondContact N-O 3.35Å
66S87.9Confident95.3Very high119 Ų11947.8 Ų47.883%0.83224%0.242SC*.THydrogen-bonded Turntrans-61.6-19.8-17958.60000114.3H68S66-H68 PolarHBondContact O-CD2 3.29Å; S66-H68 PolarHBondContact O-N 3.37Å
67D88.1Confident95.2Very high81 Ų8146.1 Ų46.143%0.43324%0.24SC..THydrogen-bonded Turntrans-76.5-5.9173.168.27000113.3R65 N69 T70R65-D67 PolarHBondContact O-N 2.96Å; R65-D67 VanDerWaalsContact O-N 3.11Å; D67-N69 PolarHBondContact O-N 3.33Å; D67-N69 PolarHBondContact OD1-N 2.77Å; D67-T70 PolarHBondContact OD1-N 3.41Å
68H84.4Confident95.2Very high123 Ų12347 Ų4757%0.56925%0.249SC*.SBendtrans52.213-173.7-62.6-76.4000114.4R65 S66 N86R65-H68 WeakPolarHBondContact O-CA 3.5Å; R65-H68 PolarHBondContact O-N 3.04Å; S66-H68 PolarHBondContact O-CD2 3.29Å; S66-H68 PolarHBondContact O-N 3.37Å; H68-N86 VanDerWaalsContact C-ND2 3.32Å; H68-N86 PolarHBondContact O-ND2 2.92Å; H68-N86 PolarHBondContact O-OD1 3.06Å
69N91.4Very high95.2Very high47 Ų4748.6 Ų48.625%0.25126%0.259SS..SBendtrans-117.5-11.2-172.8-168.542.7000111.9D67 N83 G84 V85 N86D67-N69 PolarHBondContact O-N 3.33Å; D67-N69 PolarHBondContact OD1-N 2.77Å; N69-N83 CarbonylContact O-C 3.41Å; N69-G84 PolarHBondContact O-N 3.39Å; N69-G84 VanDerWaalsContact OD1-C 3.24Å; N69-G84 WeakPolarHBondContact OD1-CA 3.16Å; N69-V85 PolarHBondContact O-N 2.82Å; N69-V85 VanDerWaalsContact O-N 3.14Å; N69-V85 PolarHBondContact OD1-N 3.14Å; N69-N86 PolarHBondContact OD1-N 2.95Å
70T95.1Very high95.3Very high6 Ų648.6 Ų48.64%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-124.1137.4175-65.60000111R65 D67 V81 V82 N83R65-T70 WeakPolarHBondContact CB-O 3.05Å; R65-T70 HydrophobicContact CG-CG2 4.04Å; R65-T70 PolarHBondContact N-O 3.35Å; D67-T70 PolarHBondContact OD1-N 3.41Å; T70-V81 HydrophobicContact CG2-CG1 3.53Å; T70-V82 CarbonylContact C-O 3.57Å; T70-V82 VanDerWaalsContact CA-O 3.29Å; T70-V82 WeakPolarHBondContact CA-O 2.98Å; T70-N83 WeakPolarHBondContact CG2-OD1 3.49Å; T70-N83 PolarHBondContact OG1-OD1 3.48Å
71V96.4Very high95.3Very high0 Ų048.2 Ų48.20%026%0.257CS..EExtended strand (participates in β ladder)trans-127.6143.5175.9-63.20000110.5E63 V64 L73 V82 V85 L95 M121E63-V71 CarbonylContact O-C 3.54Å; E63-V71 VanDerWaalsContact O-CA 3.31Å; E63-V71 WeakPolarHBondContact O-CA 3.08Å; V64-V71 HydrophobicContact CB-CG1 4.35Å; V64-V71 HydrophobicContact CG1-CG1 4.18Å; V64-V71 HydrophobicContact CG2-CG1 4.02Å; V71-L73 HydrophobicContact CB-CD1 4.45Å; V71-L73 HydrophobicContact CG2-CD1 3.59Å; V71-L73 HydrophobicContact CG2-CG 4.49Å; V71-V82 HydrophobicContact CG2-CB 3.78Å; V71-V82 PolarHBondContact N-O 2.93Å; V71-V82 PolarHBondContact O-N 3.03Å; V71-V85 HydrophobicContact CG1-CG1 4.48Å; V71-V85 HydrophobicContact CG1-CG2 4.23Å; V71-V85 HydrophobicContact CG2-CG1 3.86Å; V71-L95 HydrophobicContact CG1-CD2 4.15Å; V71-M121 HydrophobicContact CG2-CE 4.23Å
72L97.9Very high95.3Very high37 Ų3748.1 Ų48.119%0.19426%0.257CS..EExtended strand (participates in β ladder)trans-98.4125.3169.4-179.465.6000108.3L62 E63 T79 V81L62-L72 HydrophobicContact CB-CD2 4.24Å; L62-L72 HydrophobicContact CB-CG 4.29Å; L62-L72 HydrophobicContact CD1-CD2 4.23Å; L62-L72 HydrophobicContact CD1-CG 4.43Å; L62-L72 PolarHBondContact N-O 2.79Å; E63-L72 HydrophobicContact CB-CB 4.08Å; E63-L72 PolarHBondContact N-O 2.78Å; E63-L72 PolarHBondContact O-N 3.01Å; L72-T79 HydrophobicContact CD1-CG2 4.29Å; L72-V81 HydrophobicContact CD1-CG2 3.9Å
73L98.4Very high95.3Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-114.8154.8176.1-65.1106.3000111.4T60 I61 V71 T79 F80 V82 V101 V103 M121T60-L73 CarbonylContact O-C 3.59Å; T60-L73 VanDerWaalsContact O-CA 3.24Å; T60-L73 WeakPolarHBondContact O-CA 3.41Å; I61-L73 HydrophobicContact CG1-CD2 4.19Å; I61-L73 HydrophobicContact CG1-CG 4.45Å; V71-L73 HydrophobicContact CB-CD1 4.45Å; V71-L73 HydrophobicContact CG2-CD1 3.59Å; V71-L73 HydrophobicContact CG2-CG 4.49Å; L73-T79 CarbonylContact O-C 3.57Å; L73-T79 WeakPolarHBondContact O-CA 3.44Å; L73-F80 HydrophobicContact CB-CD1 4.05Å; L73-F80 HydrophobicContact CB-CD2 4.31Å; L73-F80 HydrophobicContact CB-CE1 3.55Å; L73-F80 HydrophobicContact CB-CE2 3.85Å; L73-F80 HydrophobicContact CB-CG 4.41Å; L73-F80 HydrophobicContact CB-CZ 3.45Å; L73-F80 VanDerWaalsContact CB-CZ 3.45Å; L73-F80 HydrophobicContact CD1-CD2 4.26Å; L73-F80 HydrophobicContact CD1-CE2 3.74Å; L73-F80 HydrophobicContact CD1-CZ 4.11Å; L73-F80 HydrophobicContact CD2-CE2 4.39Å; L73-F80 HydrophobicContact CD2-CZ 4.02Å; L73-F80 HydrophobicContact CG-CE2 4.22Å; L73-F80 HydrophobicContact CG-CZ 4.08Å; L73-F80 PolarHBondContact N-O 3.46Å; L73-F80 PolarHBondContact O-N 2.85Å; L73-V82 HydrophobicContact CD1-CB 3.97Å; L73-V82 HydrophobicContact CD1-CG2 3.38Å; L73-V101 HydrophobicContact CD2-CG2 3.28Å; L73-V103 HydrophobicContact CD1-CG2 4.44Å; L73-V103 HydrophobicContact CD2-CG2 4.2Å; L73-M121 HydrophobicContact CD2-CE 4.3Å
74L98.4Very high95.1Very high68 Ų6842.9 Ų42.936%0.35623%0.233SC..EExtended strand (participates in β ladder)trans-121.6123.1172.2-179.670000110G59 T60 L62 T79G59-L74 CarbonylContact C-O 3.48Å; G59-L74 WeakPolarHBondContact CA-O 3.44Å; T60-L74 PolarHBondContact N-O 3.48Å; T60-L74 PolarHBondContact O-N 2.86Å; L62-L74 HydrophobicContact CD1-CB 3.76Å; L62-L74 HydrophobicContact CD1-CD2 4.41Å; L62-L74 HydrophobicContact CD2-CB 3.89Å; L62-L74 HydrophobicContact CD2-CD2 4.13Å; L62-L74 HydrophobicContact CG-CB 3.73Å; L74-T79 HydrophobicContact CD1-CG2 3.91Å
75D97.8Very high94.9Very high7 Ų741.1 Ų41.14%0.03722%0.223CC..EExtended strand (participates in β ladder)trans-102.3-178.2162.575.614.5000111L19 S20 Q58 T77 G78 F80L19-D75 WeakPolarHBondContact CA-OD2 3.49Å; S20-D75 WeakPolarHBondContact CB-OD2 3.34Å; S20-D75 PolarHBondContact N-OD2 3.38Å; S20-D75 PolarHBondContact OG-OD1 2.7Å; S20-D75 PolarHBondContact OG-OD2 2.85Å; Q58-D75 VanDerWaalsContact O-CB 3.31Å; Q58-D75 WeakPolarHBondContact O-CB 3.42Å; D75-T77 PolarHBondContact O-N 2.95Å; D75-T77 WeakPolarHBondContact OD1-CA 3.34Å; D75-T77 PolarHBondContact OD1-N 3.46Å; D75-T77 PolarHBondContact OD1-OG1 3.48Å; D75-G78 PolarHBondContact N-O 3.01Å; D75-G78 PolarHBondContact O-N 3.32Å; D75-G78 PolarHBondContact OD1-N 3.39Å; D75-G78 VanDerWaalsContact OD1-O 3.11Å; D75-F80 HydrophobicContact CB-CE1 4.25Å
76E95.8Very high94.6Very high112 Ų11240.1 Ų40.152%0.52323%0.225SC..THydrogen-bonded Turntrans-62.9-11.7-178.1-59.9-55.8119.200114.1R132E76-R132 HydrophobicContact CG-CG 4.35Å; E76-R132 WeakPolarHBondContact OE1-CD 3.43Å; E76-R132 WeakPolarHBondContact OE1-CG 3.47Å; E76-R132 IonicContact OE1-NE 3.92Å
77T97.3Very high94.4Very high44 Ų4441 Ų4127%0.2722%0.221SC..THydrogen-bonded Turntrans-117.7-0.7-174.469.50000113.9L19 S20 S21 R24 D75L19-T77 HydrophobicContact CB-CG2 4.01Å; L19-T77 HydrophobicContact CD1-CG2 3.81Å; L19-T77 HydrophobicContact CD2-CG2 4.29Å; L19-T77 HydrophobicContact CG-CG2 4.25Å; S20-T77 PolarHBondContact N-OG1 3.48Å; S20-T77 PolarHBondContact OG-OG1 3.3Å; S21-T77 PolarHBondContact N-OG1 2.94Å; S21-T77 WeakPolarHBondContact OG-CB 3.34Å; S21-T77 PolarHBondContact OG-OG1 3.36Å; R24-T77 PolarHBondContact NH1-O 2.9Å; D75-T77 PolarHBondContact O-N 2.95Å; D75-T77 WeakPolarHBondContact OD1-CA 3.34Å; D75-T77 PolarHBondContact OD1-N 3.46Å; D75-T77 PolarHBondContact OD1-OG1 3.48Å
78G98Very high94.2Very high18 Ų1838.1 Ų38.119%0.18621%0.205CC..EExtended strand (participates in β ladder)trans134.6-165.8174.200000113.5S20 D75S20-G78 WeakPolarHBondContact OG-CA 3.32Å; S20-G78 PolarHBondContact OG-N 3.24Å; S20-G78 PolarHBondContact OG-O 2.86Å; S20-G78 VanDerWaalsContact OG-O 3.1Å; D75-G78 PolarHBondContact N-O 3.01Å; D75-G78 PolarHBondContact O-N 3.32Å; D75-G78 PolarHBondContact OD1-N 3.39Å; D75-G78 VanDerWaalsContact OD1-O 3.11Å
79T98.6Very high93.7Very high39 Ų3937.5 Ų37.524%0.23921%0.212CC..EExtended strand (participates in β ladder)trans-88154.6-173.247.90000112.8R24 L62 L72 L73 L74 E113 P114R24-T79 PolarHBondContact NH2-O 3.3Å; L62-T79 HydrophobicContact CD1-CG2 4.05Å; L72-T79 HydrophobicContact CD1-CG2 4.29Å; L73-T79 CarbonylContact O-C 3.57Å; L73-T79 WeakPolarHBondContact O-CA 3.44Å; L74-T79 HydrophobicContact CD1-CG2 3.91Å; T79-E113 WeakPolarHBondContact CB-OE1 3.38Å; T79-E113 VanDerWaalsContact O-OE1 3.12Å; T79-E113 VanDerWaalsContact OG1-CD 3.27Å; T79-E113 PolarHBondContact OG1-OE1 2.84Å; T79-E113 PolarHBondContact OG1-OE2 2.89Å; T79-P114 WeakPolarHBondContact O-CD 3.46Å
80F98.7Very high92.4Very high0 Ų044.8 Ų44.80%024%0.241CC..EExtended strand (participates in β ladder)trans-148.4151.9164.363.4-78.5000111M57 L73 D75 V82 E113 P114 L116M57-F80 HydrophobicContact CB-CE2 3.99Å; M57-F80 HydrophobicContact CB-CZ 3.88Å; M57-F80 HydrophobicContact CE-CB 4.35Å; M57-F80 HydrophobicContact CE-CD1 3.68Å; M57-F80 HydrophobicContact CE-CD2 4.12Å; M57-F80 HydrophobicContact CE-CE1 3.9Å; M57-F80 HydrophobicContact CE-CE2 4.3Å; M57-F80 HydrophobicContact CE-CG 3.8Å; M57-F80 HydrophobicContact CE-CZ 4.19Å; M57-F80 HydrophobicContact SD-CD2 4.04Å; M57-F80 HydrophobicContact SD-CE2 4.19Å; M57-F80 HydrophobicContact SD-CG 4.27Å; L73-F80 HydrophobicContact CB-CD1 4.05Å; L73-F80 HydrophobicContact CB-CD2 4.31Å; L73-F80 HydrophobicContact CB-CE1 3.55Å; L73-F80 HydrophobicContact CB-CE2 3.85Å; L73-F80 HydrophobicContact CB-CG 4.41Å; L73-F80 HydrophobicContact CB-CZ 3.45Å; L73-F80 VanDerWaalsContact CB-CZ 3.45Å; L73-F80 HydrophobicContact CD1-CD2 4.26Å; L73-F80 HydrophobicContact CD1-CE2 3.74Å; L73-F80 HydrophobicContact CD1-CZ 4.11Å; L73-F80 HydrophobicContact CD2-CE2 4.39Å; L73-F80 HydrophobicContact CD2-CZ 4.02Å; L73-F80 HydrophobicContact CG-CE2 4.22Å; L73-F80 HydrophobicContact CG-CZ 4.08Å; L73-F80 PolarHBondContact N-O 3.46Å; L73-F80 PolarHBondContact O-N 2.85Å; D75-F80 HydrophobicContact CB-CE1 4.25Å; F80-V82 HydrophobicContact CD2-CG2 3.79Å; F80-V82 HydrophobicContact CE2-CG2 3.72Å; F80-E113 WeakPolarHBondContact CA-OE1 3.48Å; F80-E113 PolarHBondContact N-OE1 3.38Å; F80-P114 WeakPolarHBondContact CA-O 3.45Å; F80-P114 HydrophobicContact CB-CB 3.95Å; F80-P114 HydrophobicContact CB-CG 4.34Å; F80-L116 HydrophobicContact CD2-CD1 4.28Å; F80-L116 HydrophobicContact CE2-CD1 4.43Å
81V98.4Very high91Very high10 Ų1047.5 Ų47.56%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-103139.8-179.5176.90000110.4T70 L72 E113 P114 V115 L116T70-V81 HydrophobicContact CG2-CG1 3.53Å; L72-V81 HydrophobicContact CD1-CG2 3.9Å; V81-E113 HydrophobicContact CG2-CG 3.84Å; V81-P114 PolarHBondContact N-O 2.81Å; V81-V115 HydrophobicContact CB-CG1 4.47Å; V81-V115 HydrophobicContact CB-CG2 4.29Å; V81-V115 HydrophobicContact CG1-CG1 4.41Å; V81-V115 CarbonylContact O-C 3.53Å; V81-V115 WeakPolarHBondContact O-CA 3.11Å; V81-L116 PolarHBondContact O-N 2.92Å
82V97.7Very high89.3Confident0 Ų054 Ų540%031%0.305CS..EExtended strand (participates in β ladder)trans-125.2120.3174.2-177.40000109.9T70 V71 L73 F80 V85 V103 L116 A118T70-V82 CarbonylContact C-O 3.57Å; T70-V82 VanDerWaalsContact CA-O 3.29Å; T70-V82 WeakPolarHBondContact CA-O 2.98Å; V71-V82 HydrophobicContact CG2-CB 3.78Å; V71-V82 PolarHBondContact N-O 2.93Å; V71-V82 PolarHBondContact O-N 3.03Å; L73-V82 HydrophobicContact CD1-CB 3.97Å; L73-V82 HydrophobicContact CD1-CG2 3.38Å; F80-V82 HydrophobicContact CD2-CG2 3.79Å; F80-V82 HydrophobicContact CE2-CG2 3.72Å; V82-V85 HydrophobicContact CG1-CG1 3.89Å; V82-V103 HydrophobicContact CG1-CG1 3.91Å; V82-V103 HydrophobicContact CG2-CG1 3.98Å; V82-V103 HydrophobicContact CG2-CG2 4.28Å; V82-L116 CarbonylContact C-O 3.52Å; V82-L116 WeakPolarHBondContact CA-O 3.03Å; V82-L116 HydrophobicContact CG2-CB 4.26Å; V82-L116 HydrophobicContact CG2-CD1 4.35Å; V82-A118 HydrophobicContact CG1-CB 3.74Å
83N96.5Very high87.9Confident41 Ų4157.7 Ų57.722%0.21933%0.331CS..EExtended strand (participates in β ladder)trans-100.7159177.2-61.2-38.5000111.3N69 T70 Q108 V115 L116 A118N69-N83 CarbonylContact O-C 3.41Å; T70-N83 WeakPolarHBondContact CG2-OD1 3.49Å; T70-N83 PolarHBondContact OG1-OD1 3.48Å; N83-Q108 PolarHBondContact ND2-OE1 3.24Å; N83-V115 WeakPolarHBondContact ND2-CG1 3.27Å; N83-L116 PolarHBondContact N-O 2.96Å; N83-A118 WeakPolarHBondContact O-CB 3.31Å; N83-A118 PolarHBondContact O-N 3.22Å
84G93.2Very high86.6Confident6 Ų658.2 Ų58.26%0.06234%0.335CS..  trans77.720.9173.100000113.6N69 N86 N87N69-G84 PolarHBondContact O-N 3.39Å; N69-G84 VanDerWaalsContact OD1-C 3.24Å; N69-G84 WeakPolarHBondContact OD1-CA 3.16Å; G84-N86 PolarHBondContact O-N 2.87Å; G84-N87 WeakPolarHBondContact O-CB 3.45Å; G84-N87 PolarHBondContact O-N 3.47Å
85V90.1Very high85.8Confident3 Ų357.3 Ų57.32%0.01833%0.33CS..G310 helixtrans-65.8-19.5-177.2-60.80000113N69 V71 V82 N87 I88 L95 A118 M121N69-V85 PolarHBondContact O-N 2.82Å; N69-V85 VanDerWaalsContact O-N 3.14Å; N69-V85 PolarHBondContact OD1-N 3.14Å; V71-V85 HydrophobicContact CG1-CG1 4.48Å; V71-V85 HydrophobicContact CG1-CG2 4.23Å; V71-V85 HydrophobicContact CG2-CG1 3.86Å; V82-V85 HydrophobicContact CG1-CG1 3.89Å; V85-N87 VanDerWaalsContact C-N 3.28Å; V85-N87 PolarHBondContact O-N 2.89Å; V85-I88 WeakPolarHBondContact O-CD1 3.32Å; V85-I88 VanDerWaalsContact O-CG1 3.25Å; V85-I88 WeakPolarHBondContact O-CG1 3.35Å; V85-L95 HydrophobicContact CB-CD1 4.09Å; V85-L95 HydrophobicContact CB-CD2 4.12Å; V85-L95 HydrophobicContact CG1-CD2 4.4Å; V85-L95 HydrophobicContact CG2-CD1 3.67Å; V85-L95 HydrophobicContact CG2-CD2 4.15Å; V85-A118 HydrophobicContact CG1-CB 4.26Å; V85-M121 HydrophobicContact CG1-SD 4.01Å
86N86.3Confident85.5Confident82 Ų8262.2 Ų62.244%0.43936%0.356SS..G310 helixtrans-76.1-15.4173.8-74.1-27.7000113.7H68 N69 G84H68-N86 VanDerWaalsContact C-ND2 3.32Å; H68-N86 PolarHBondContact O-ND2 2.92Å; H68-N86 PolarHBondContact O-OD1 3.06Å; N69-N86 PolarHBondContact OD1-N 2.95Å; G84-N86 PolarHBondContact O-N 2.87Å
87N83.8Confident85.4Confident138 Ų13864 Ų6474%0.73836%0.364SS*.G310 helixtrans-92.1-3.2-177.1-62.7-35.2000113.2G84 V85G84-N87 WeakPolarHBondContact O-CB 3.45Å; G84-N87 PolarHBondContact O-N 3.47Å; V85-N87 VanDerWaalsContact C-N 3.28Å; V85-N87 PolarHBondContact O-N 2.89Å
88I83.8Confident85.3Confident20 Ų2064.3 Ų64.310%0.10338%0.376CS..SBendtrans-84.3152.4178.874.5-166.5000110.5V85 K90 A118 M121V85-I88 WeakPolarHBondContact O-CD1 3.32Å; V85-I88 VanDerWaalsContact O-CG1 3.25Å; V85-I88 WeakPolarHBondContact O-CG1 3.35Å; I88-K90 PolarHBondContact O-N 2.88Å; I88-A118 HydrophobicContact CG2-CB 3.65Å; I88-M121 HydrophobicContact CD1-CB 3.39Å
89P75.1Confident85.1Confident110 Ų11064.9 Ų64.971%0.71438%0.375SS*.  trans-54.1126.2174.2-25.634.8000111.1G91P89-G91 PolarHBondContact O-N 3.24Å
90K63.3Low85.1Confident199 Ų19963.3 Ų63.387%0.86537%0.365SS*.  trans-71.197.6-177.5-62.6-176.5-178.7-177.40109.5I88I88-K90 PolarHBondContact O-N 2.88Å
91G65.4Low84.9Confident64 Ų6463.3 Ų63.366%0.6637%0.365SS*.  trans-87-148.8164.800000111.2P89P89-G91 PolarHBondContact O-N 3.24Å
92N61.4Low84.8Confident136 Ų13663.5 Ų63.573%0.72737%0.365SS*.SBendtrans-57.1143.5171.1-73.3-14.7000110.9C94N92-C94 PolarHBondContact O-N 2.83Å
93P67Low84.7Confident114 Ų11463.5 Ų63.574%0.7437%0.365SS*.  trans-58107.6175.4-19.430.4000110.2
94C71.6Confident84.7Confident12 Ų1263.9 Ų63.98%0.08137%0.366CS..  trans-112.1-6.3-176.459.60000113.4I61 N92 L96 N99 V101 D123I61-C94 WeakPolarHBondContact CD1-O 3.45Å; N92-C94 PolarHBondContact O-N 2.83Å; C94-L96 PolarHBondContact O-N 2.81Å; C94-N99 PolarHBondContact O-ND2 3.02Å; C94-N99 VanDerWaalsContact O-ND2 3.1Å; C94-V101 HydrophobicContact CB-CG1 4.3Å; C94-D123 HydrophobicContact CB-CB 3.78Å
95L83.2Confident84.9Confident49 Ų4963.6 Ų63.626%0.25736%0.363SS..  trans-93.456.4-173.3-56.5177.7000112.2I61 V71 V85 M121I61-L95 HydrophobicContact CD1-CD2 4.45Å; V71-L95 HydrophobicContact CG1-CD2 4.15Å; V85-L95 HydrophobicContact CB-CD1 4.09Å; V85-L95 HydrophobicContact CB-CD2 4.12Å; V85-L95 HydrophobicContact CG1-CD2 4.4Å; V85-L95 HydrophobicContact CG2-CD1 3.67Å; V85-L95 HydrophobicContact CG2-CD2 4.15Å; L95-M121 HydrophobicContact CD2-CE 3.79Å; L95-M121 HydrophobicContact CD2-SD 3.54Å; L95-M121 VanDerWaalsContact CD2-SD 3.54Å
96L90Very high85.1Confident109 Ų10966.4 Ų66.457%0.57138%0.377SS*.SBendtrans-114.4140.4171.1-60.5175.4000109.5C94 G98 N99C94-L96 PolarHBondContact O-N 2.81Å; L96-G98 PolarHBondContact O-N 2.79Å; L96-N99 VanDerWaalsContact O-CB 3.31Å; L96-N99 WeakPolarHBondContact O-CB 3.48Å; L96-N99 PolarHBondContact O-N 2.89Å; L96-N99 VanDerWaalsContact O-N 3.08Å
97Q94Very high85.6Confident150 Ų15063.1 Ų63.170%0.70136%0.359SS*.THydrogen-bonded Turntrans-56.3133.4172.6-175.61766.600110L62L62-Q97 VanDerWaalsContact O-CD 3.25Å; L62-Q97 VanDerWaalsContact O-CG 3.32Å; L62-Q97 WeakPolarHBondContact O-CG 3.48Å; L62-Q97 PolarHBondContact O-NE2 2.82Å
98G95.1Very high86.1Confident51 Ų5161.1 Ų61.153%0.52635%0.345SS..THydrogen-bonded Turntrans92.1-16.5-175.700000114.9I61 L96I61-G98 PolarHBondContact O-N 3.21Å; L96-G98 PolarHBondContact O-N 2.79Å
99N94.9Very high86.7Confident29 Ų2961.8 Ų61.816%0.15535%0.354CS..  trans-65.8141.7176-74.80.2000111.2T60 I61 C94 L96 V101 S125T60-N99 CarbonylContact C-O 3.56Å; T60-N99 WeakPolarHBondContact CA-O 3.43Å; I61-N99 HydrophobicContact CD1-CB 4.35Å; I61-N99 PolarHBondContact N-O 2.81Å; C94-N99 PolarHBondContact O-ND2 3.02Å; C94-N99 VanDerWaalsContact O-ND2 3.1Å; L96-N99 VanDerWaalsContact O-CB 3.31Å; L96-N99 WeakPolarHBondContact O-CB 3.48Å; L96-N99 PolarHBondContact O-N 2.89Å; L96-N99 VanDerWaalsContact O-N 3.08Å; N99-V101 HydrophobicContact CB-CG1 4.09Å; N99-S125 WeakPolarHBondContact CA-OG 3.43Å
100Y96.8Very high87.7Confident7 Ų757 Ų573%0.02732%0.323CS..EExtended strand (participates in β ladder)trans-98.6125.3171.1-172.2-97.3000109.3Q58 G59 L124 S125 A128 H131 R132Q58-Y100 HydrophobicContact CB-CE1 4.2Å; Q58-Y100 VanDerWaalsContact CB-OH 3.23Å; Q58-Y100 WeakPolarHBondContact CB-OH 3.23Å; Q58-Y100 VanDerWaalsContact OE1-CE1 3.3Å; Q58-Y100 PolarHBondContact OE1-OH 2.93Å; G59-Y100 WeakPolarHBondContact O-CA 3.17Å; G59-Y100 WeakPolarHBondContact O-CD2 3.35Å; Y100-L124 HydrophobicContact CD1-CB 3.8Å; Y100-L124 HydrophobicContact CD1-CD1 4.49Å; Y100-L124 HydrophobicContact CE1-CB 4.31Å; Y100-L124 HydrophobicContact CE1-CD1 4.22Å; Y100-L124 CarbonylContact O-C 3.35Å; Y100-L124 WeakPolarHBondContact O-CA 3.29Å; Y100-L124 WeakPolarHBondContact O-CB 3.41Å; Y100-L124 PolarHBondContact O-N 3.23Å; Y100-S125 PolarHBondContact N-OG 2.94Å; Y100-S125 PolarHBondContact O-N 2.9Å; Y100-S125 PolarHBondContact O-OG 2.85Å; Y100-A128 HydrophobicContact CD1-CB 4.24Å; Y100-A128 HydrophobicContact CG-CB 4.02Å; Y100-H131 HydrophobicContact CD1-CB 4.15Å; Y100-H131 HydrophobicContact CE1-CB 3.56Å; Y100-R132 HydrophobicContact CE2-CB 3.99Å; Y100-R132 HydrophobicContact CE2-CG 4.25Å; Y100-R132 WeakPolarHBondContact OH-CA 3.38Å
101V96.1Very high89.2Confident0 Ų051.4 Ų51.40%031%0.308CS..EExtended strand (participates in β ladder)trans-137.8156-166.3-58.60000111.3Q58 G59 I61 L73 C94 N99 V103 M121 A122Q58-V101 VanDerWaalsContact CA-O 3.27Å; Q58-V101 WeakPolarHBondContact CA-O 3.25Å; G59-V101 PolarHBondContact N-O 2.73Å; G59-V101 PolarHBondContact O-N 3.16Å; I61-V101 HydrophobicContact CD1-CG1 4.07Å; I61-V101 HydrophobicContact CD1-CG2 4.41Å; I61-V101 HydrophobicContact CG1-CG1 4.39Å; I61-V101 HydrophobicContact CG1-CG2 4.1Å; L73-V101 HydrophobicContact CD2-CG2 3.28Å; C94-V101 HydrophobicContact CB-CG1 4.3Å; N99-V101 HydrophobicContact CB-CG1 4.09Å; V101-V103 HydrophobicContact CG2-CG2 4.36Å; V101-M121 HydrophobicContact CB-CE 4.02Å; V101-M121 HydrophobicContact CB-CG 4.44Å; V101-M121 HydrophobicContact CG1-CE 4.25Å; V101-M121 HydrophobicContact CG2-CE 3.35Å; V101-A122 CarbonylContact C-O 3.58Å; V101-A122 VanDerWaalsContact CA-O 3.27Å; V101-A122 WeakPolarHBondContact CA-O 3.49Å; V101-A122 WeakPolarHBondContact CB-O 3.44Å
102M96Very high90.5Very high14 Ų1453.7 Ų53.77%0.06931%0.311CS..EExtended strand (participates in β ladder)trans-97.3148162.76485.874.700110.6W56 M57 Q58 M121 A122 L124W56-M102 HydrophobicContact CD2-CE 3.99Å; W56-M102 VanDerWaalsContact CE2-CE 3.47Å; W56-M102 HydrophobicContact CE3-CE 4.28Å; W56-M102 HydrophobicContact CH2-CE 3.65Å; W56-M102 HydrophobicContact CZ2-CE 3.3Å; W56-M102 HydrophobicContact CZ3-CE 4.12Å; M57-M102 CarbonylContact O-C 3.58Å; M57-M102 WeakPolarHBondContact O-CA 3.37Å; Q58-M102 HydrophobicContact CG-CB 4.11Å; M102-M121 VanDerWaalsContact O-CA 3.26Å; M102-M121 WeakPolarHBondContact O-CA 3.44Å; M102-M121 WeakPolarHBondContact O-CG 3.43Å; M102-A122 HydrophobicContact CG-CB 3.72Å; M102-A122 PolarHBondContact N-O 3.11Å; M102-A122 PolarHBondContact O-N 2.81Å; M102-A122 HydrophobicContact SD-CB 3.71Å; M102-L124 HydrophobicContact CB-CD1 3.79Å; M102-L124 HydrophobicContact CB-CG 4.36Å; M102-L124 HydrophobicContact CG-CD1 4.22Å; M102-L124 HydrophobicContact CG-CG 4.32Å
103V95.9Very high92.3Very high0 Ų049.5 Ų49.50%029%0.288CS..EExtended strand (participates in β ladder)trans-132121.9176.1-176.10000108.7W56 M57 L73 V82 V101 L116 K120 M121W56-V103 CarbonylContact C-O 3.59Å; W56-V103 WeakPolarHBondContact CA-O 3.24Å; M57-V103 PolarHBondContact N-O 3.35Å; M57-V103 PolarHBondContact O-N 3.16Å; L73-V103 HydrophobicContact CD1-CG2 4.44Å; L73-V103 HydrophobicContact CD2-CG2 4.2Å; V82-V103 HydrophobicContact CG1-CG1 3.91Å; V82-V103 HydrophobicContact CG2-CG1 3.98Å; V82-V103 HydrophobicContact CG2-CG2 4.28Å; V101-V103 HydrophobicContact CG2-CG2 4.36Å; V103-L116 HydrophobicContact CG1-CD1 4.37Å; V103-K120 CarbonylContact C-O 3.58Å; V103-K120 WeakPolarHBondContact CA-O 3.21Å; V103-M121 HydrophobicContact CG2-CE 4.08Å; V103-M121 HydrophobicContact CG2-CG 4.07Å; V103-M121 HydrophobicContact CG2-SD 4.3Å
104M96.3Very high93.8Very high49 Ų4944.1 Ų44.124%0.24125%0.252CS..EExtended strand (participates in β ladder)trans-93.8125.3158.4-174.3178171.200107.8P15 V54 V55 V119 K120P15-M104 HydrophobicContact CB-CE 3.84Å; P15-M104 HydrophobicContact CB-CG 3.95Å; P15-M104 HydrophobicContact CB-SD 4.13Å; P15-M104 HydrophobicContact CG-CE 3.67Å; P15-M104 HydrophobicContact CG-CG 4.48Å; P15-M104 HydrophobicContact CG-SD 4.01Å; V54-M104 HydrophobicContact CG1-CE 3.61Å; V54-M104 HydrophobicContact CG1-CG 3.95Å; V55-M104 CarbonylContact O-C 3.58Å; V55-M104 VanDerWaalsContact O-CA 3.28Å; V55-M104 WeakPolarHBondContact O-CA 3.31Å; M104-V119 HydrophobicContact CE-CG1 4.43Å; M104-V119 HydrophobicContact CG-CB 4.28Å; M104-V119 HydrophobicContact CG-CG1 4.47Å; M104-V119 WeakPolarHBondContact O-CA 3.29Å; M104-V119 WeakPolarHBondContact O-CB 3.46Å; M104-V119 PolarHBondContact O-N 3.22Å; M104-V119 HydrophobicContact SD-CG1 4.32Å; M104-K120 HydrophobicContact CB-CB 4.06Å; M104-K120 PolarHBondContact N-O 2.91Å; M104-K120 PolarHBondContact O-N 3.4Å
105G95.8Very high95Very high0 Ų045 Ų450%026%0.257CS..EExtended strand (participates in β ladder)trans-147.8155.5-174.200000113.8V54 V55 R117V54-G105 CarbonylContact C-O 3.57Å; V54-G105 WeakPolarHBondContact CA-O 3.34Å; V55-G105 PolarHBondContact N-O 3.17Å; V55-G105 PolarHBondContact O-N 3.27Å; G105-R117 CarbonylContact C-O 3.53Å; G105-R117 WeakPolarHBondContact CA-O 3.34Å
106M95.7Very high95.7Very high61 Ų6142.6 Ų42.630%0.325%0.245SC..EExtended strand (participates in β ladder)trans-88.5133.8167.3-76171.4-83.200109.4S53 V54 Q108 L116 R117 V119S53-M106 WeakPolarHBondContact O-CA 3.47Å; V54-M106 HydrophobicContact CG2-CG 4.25Å; M106-Q108 PolarHBondContact O-N 3.12Å; M106-L116 CarbonylContact O-C 3.6Å; M106-L116 VanDerWaalsContact O-CA 3.29Å; M106-L116 WeakPolarHBondContact O-CA 3.27Å; M106-R117 VanDerWaalsContact CE-CZ 3.48Å; M106-R117 VanDerWaalsContact CE-NE 3.26Å; M106-R117 PolarHBondContact N-O 3.04Å; M106-R117 PolarHBondContact O-N 2.82Å; M106-R117 PolarHBondContact SD-NH2 2.7Å; M106-V119 HydrophobicContact CE-CG2 3.67Å; M106-V119 HydrophobicContact CG-CG2 4.33Å
107I96.1Very high96Very high14 Ų1443.4 Ų43.47%0.07224%0.24CC..EExtended strand (participates in β ladder)trans-68.7131.2177.4-57.4165.9000109.7L23 F37 V52 S53 V55 L110 L116L23-I107 HydrophobicContact CD2-CD1 3.93Å; F37-I107 HydrophobicContact CB-CD1 3.98Å; F37-I107 HydrophobicContact CD1-CG2 3.89Å; F37-I107 HydrophobicContact CD2-CB 3.79Å; F37-I107 HydrophobicContact CD2-CD1 3.89Å; F37-I107 HydrophobicContact CD2-CG1 4.45Å; F37-I107 HydrophobicContact CD2-CG2 3.92Å; F37-I107 HydrophobicContact CE1-CB 4.48Å; F37-I107 HydrophobicContact CE1-CG2 3.66Å; F37-I107 HydrophobicContact CE2-CB 3.59Å; F37-I107 HydrophobicContact CE2-CG2 3.69Å; F37-I107 HydrophobicContact CG-CB 4.3Å; F37-I107 HydrophobicContact CG-CD1 4Å; F37-I107 HydrophobicContact CG-CG2 3.98Å; F37-I107 HydrophobicContact CZ-CB 3.93Å; F37-I107 HydrophobicContact CZ-CG2 3.51Å; V52-I107 HydrophobicContact CB-CD1 4.4Å; V52-I107 HydrophobicContact CG2-CD1 3.6Å; S53-I107 PolarHBondContact O-N 3.34Å; V55-I107 HydrophobicContact CG1-CD1 3.7Å; V55-I107 HydrophobicContact CG1-CG1 3.91Å; V55-I107 HydrophobicContact CG2-CG1 4.2Å; I107-L110 HydrophobicContact CD1-CD2 4.46Å; I107-L110 HydrophobicContact CG2-CD2 3.72Å; I107-L110 HydrophobicContact CG2-CG 4.41Å; I107-L116 HydrophobicContact CB-CD2 4.39Å; I107-L116 HydrophobicContact CG1-CD2 3.95Å
108Q95.3Very high96.1Very high95 Ų9536.9 Ų36.944%0.44421%0.212SC..EExtended strand (participates in β ladder)trans-109.7-37.3172.7-57.2-170-69.600111.8N83 M106 V115 R117N83-Q108 PolarHBondContact ND2-OE1 3.24Å; M106-Q108 PolarHBondContact O-N 3.12Å; Q108-V115 WeakPolarHBondContact CA-O 3.32Å; Q108-V115 HydrophobicContact CB-CB 4.35Å; Q108-V115 HydrophobicContact CB-CG1 4.24Å; Q108-V115 WeakPolarHBondContact CB-O 3.46Å; Q108-V115 PolarHBondContact N-O 2.9Å; Q108-R117 HydrophobicContact CG-CB 4.03Å
109A95.4Very high96Very high35 Ų3537.2 Ų37.229%0.28920%0.204SC..EExtended strand (participates in β ladder)trans-149.1153.2176.100000110.5P114 V115A109-P114 WeakPolarHBondContact O-CA 3.5Å; A109-V115 HydrophobicContact CB-CB 4.02Å; A109-V115 HydrophobicContact CB-CG2 4.03Å; A109-V115 PolarHBondContact N-O 2.9Å; A109-V115 PolarHBondContact O-N 3.08Å
110L96.4Very high95.9Very high10 Ų1041.6 Ų41.65%0.05222%0.222CC..  trans-103.2-46.3-179.6-70.8-174.4000113L23 R24 D28 F37 I107 P114L23-L110 HydrophobicContact CB-CD2 3.94Å; L23-L110 HydrophobicContact CD2-CD2 4.05Å; L23-L110 WeakPolarHBondContact O-CB 3.41Å; L23-L110 WeakPolarHBondContact O-CD2 3.29Å; R24-L110 WeakPolarHBondContact CA-O 3.44Å; D28-L110 HydrophobicContact CB-CD1 4.43Å; F37-L110 HydrophobicContact CB-CD1 4.4Å; F37-L110 HydrophobicContact CB-CD2 4.41Å; F37-L110 HydrophobicContact CD1-CD1 3.7Å; F37-L110 HydrophobicContact CD1-CD2 3.91Å; F37-L110 HydrophobicContact CD1-CG 3.64Å; F37-L110 HydrophobicContact CE1-CG 4.1Å; F37-L110 HydrophobicContact CG-CD2 4.38Å; I107-L110 HydrophobicContact CD1-CD2 4.46Å; I107-L110 HydrophobicContact CG2-CD2 3.72Å; I107-L110 HydrophobicContact CG2-CG 4.41Å; L110-P114 WeakPolarHBondContact O-CA 3.41Å; L110-P114 WeakPolarHBondContact O-CG 3.42Å
111S93.9Very high95.7Very high80 Ų8042 Ų4256%0.55922%0.224SC*.SBendtrans-143.6147.9-166.5-174.70000110.4
112P94.5Very high95.6Very high112 Ų11243.6 Ų43.673%0.72724%0.237SC*.SBendcis-71.8-22.22.329.7-36000114.5R24R24-P112 WeakPolarHBondContact CD-O 3.34Å; R24-P112 WeakPolarHBondContact CG-O 3.19Å; R24-P112 PolarHBondContact NE-O 3.28Å
113E97.8Very high95.4Very high49 Ų4946 Ų4623%0.22925%0.25CS..SBendtrans-121.9124179.4-177.766.2-165.800108.6T79 F80 V81 V115T79-E113 WeakPolarHBondContact CB-OE1 3.38Å; T79-E113 VanDerWaalsContact O-OE1 3.12Å; T79-E113 VanDerWaalsContact OG1-CD 3.27Å; T79-E113 PolarHBondContact OG1-OE1 2.84Å; T79-E113 PolarHBondContact OG1-OE2 2.89Å; F80-E113 WeakPolarHBondContact CA-OE1 3.48Å; F80-E113 PolarHBondContact N-OE1 3.38Å; V81-E113 HydrophobicContact CG2-CG 3.84Å; E113-V115 PolarHBondContact O-N 2.9Å
114P98.3Very high95.4Very high0 Ų047.8 Ų47.80%026%0.259CS..  trans-63135.3175.4-19.930.4000111.4S20 L23 R24 T79 F80 V81 A109 L110S20-P114 WeakPolarHBondContact O-CG 3.44Å; L23-P114 HydrophobicContact CB-CB 3.91Å; L23-P114 HydrophobicContact CB-CG 3.9Å; L23-P114 HydrophobicContact CD1-CB 3.95Å; R24-P114 HydrophobicContact CB-CG 4.32Å; T79-P114 WeakPolarHBondContact O-CD 3.46Å; F80-P114 WeakPolarHBondContact CA-O 3.45Å; F80-P114 HydrophobicContact CB-CB 3.95Å; F80-P114 HydrophobicContact CB-CG 4.34Å; V81-P114 PolarHBondContact N-O 2.81Å; A109-P114 WeakPolarHBondContact O-CA 3.5Å; L110-P114 WeakPolarHBondContact O-CA 3.41Å; L110-P114 WeakPolarHBondContact O-CG 3.42Å
115V98.1Very high95.3Very high30 Ų3047.2 Ų47.218%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-126.3127.2179.2-174.30000109.9V81 N83 Q108 A109 E113V81-V115 HydrophobicContact CB-CG1 4.47Å; V81-V115 HydrophobicContact CB-CG2 4.29Å; V81-V115 HydrophobicContact CG1-CG1 4.41Å; V81-V115 CarbonylContact O-C 3.53Å; V81-V115 WeakPolarHBondContact O-CA 3.11Å; N83-V115 WeakPolarHBondContact ND2-CG1 3.27Å; Q108-V115 WeakPolarHBondContact CA-O 3.32Å; Q108-V115 HydrophobicContact CB-CB 4.35Å; Q108-V115 HydrophobicContact CB-CG1 4.24Å; Q108-V115 WeakPolarHBondContact CB-O 3.46Å; Q108-V115 PolarHBondContact N-O 2.9Å; A109-V115 HydrophobicContact CB-CB 4.02Å; A109-V115 HydrophobicContact CB-CG2 4.03Å; A109-V115 PolarHBondContact N-O 2.9Å; A109-V115 PolarHBondContact O-N 3.08Å; E113-V115 PolarHBondContact O-N 2.9Å
116L97.8Very high95.3Very high0 Ų056.2 Ų56.20%030%0.302CS..EExtended strand (participates in β ladder)trans-114.7147176.7-51.1-175.9000111.6L23 V55 M57 F80 V81 V82 N83 V103 M106 I107L23-L116 HydrophobicContact CD1-CD2 4.15Å; V55-L116 HydrophobicContact CG2-CD1 3.73Å; V55-L116 HydrophobicContact CG2-CD2 3.66Å; V55-L116 HydrophobicContact CG2-CG 4.36Å; M57-L116 HydrophobicContact CG-CD1 4.3Å; M57-L116 HydrophobicContact SD-CD1 3.74Å; M57-L116 HydrophobicContact SD-CG 4.5Å; F80-L116 HydrophobicContact CD2-CD1 4.28Å; F80-L116 HydrophobicContact CE2-CD1 4.43Å; V81-L116 PolarHBondContact O-N 2.92Å; V82-L116 CarbonylContact C-O 3.52Å; V82-L116 WeakPolarHBondContact CA-O 3.03Å; V82-L116 HydrophobicContact CG2-CB 4.26Å; V82-L116 HydrophobicContact CG2-CD1 4.35Å; N83-L116 PolarHBondContact N-O 2.96Å; V103-L116 HydrophobicContact CG1-CD1 4.37Å; M106-L116 CarbonylContact O-C 3.6Å; M106-L116 VanDerWaalsContact O-CA 3.29Å; M106-L116 WeakPolarHBondContact O-CA 3.27Å; I107-L116 HydrophobicContact CB-CD2 4.39Å; I107-L116 HydrophobicContact CG1-CD2 3.95Å
117R96.6Very high95.2Very high126 Ų12660.3 Ų60.348%0.47532%0.315SS..EExtended strand (participates in β ladder)trans-92.3121.3158.7-178173.365.6168.6-1.4108.9G105 M106 Q108G105-R117 CarbonylContact C-O 3.53Å; G105-R117 WeakPolarHBondContact CA-O 3.34Å; M106-R117 VanDerWaalsContact CE-CZ 3.48Å; M106-R117 VanDerWaalsContact CE-NE 3.26Å; M106-R117 PolarHBondContact N-O 3.04Å; M106-R117 PolarHBondContact O-N 2.82Å; M106-R117 PolarHBondContact SD-NH2 2.7Å; Q108-R117 HydrophobicContact CG-CB 4.03Å
118A95.2Very high95.1Very high13 Ų1360.8 Ų60.811%0.10732%0.32CS..EExtended strand (participates in β ladder)trans-59.7136.3-179.600000112.1V82 N83 V85 I88V82-A118 HydrophobicContact CG1-CB 3.74Å; N83-A118 WeakPolarHBondContact O-CB 3.31Å; N83-A118 PolarHBondContact O-N 3.22Å; V85-A118 HydrophobicContact CG1-CB 4.26Å; I88-A118 HydrophobicContact CG2-CB 3.65Å
119V93.9Very high95.2Very high58 Ų5859.6 Ų59.635%0.35233%0.327SS..EExtended strand (participates in β ladder)trans-110.9-44.7167174.90000109.5M104 M106M104-V119 HydrophobicContact CE-CG1 4.43Å; M104-V119 HydrophobicContact CG-CB 4.28Å; M104-V119 HydrophobicContact CG-CG1 4.47Å; M104-V119 WeakPolarHBondContact O-CA 3.29Å; M104-V119 WeakPolarHBondContact O-CB 3.46Å; M104-V119 PolarHBondContact O-N 3.22Å; M104-V119 HydrophobicContact SD-CG1 4.32Å; M106-V119 HydrophobicContact CE-CG2 3.67Å; M106-V119 HydrophobicContact CG-CG2 4.33Å
120K92.4Very high95.2Very high121 Ų12161.9 Ų61.953%0.52633%0.333SS..EExtended strand (participates in β ladder)trans-148.1146.6176.6-175174.4179.5177.20109.4V103 M104V103-K120 CarbonylContact C-O 3.58Å; V103-K120 WeakPolarHBondContact CA-O 3.21Å; M104-K120 HydrophobicContact CB-CB 4.06Å; M104-K120 PolarHBondContact N-O 2.91Å; M104-K120 PolarHBondContact O-N 3.4Å
121M93Very high95.3Very high15 Ų1563.8 Ų63.87%0.07434%0.342CS..EExtended strand (participates in β ladder)trans-137.3143.4171.9-160.4163.7-179.300108.3I61 V71 L73 V85 I88 L95 V101 M102 V103I61-M121 HydrophobicContact CD1-CE 3.89Å; I61-M121 HydrophobicContact CG1-CE 4.3Å; V71-M121 HydrophobicContact CG2-CE 4.23Å; L73-M121 HydrophobicContact CD2-CE 4.3Å; V85-M121 HydrophobicContact CG1-SD 4.01Å; I88-M121 HydrophobicContact CD1-CB 3.39Å; L95-M121 HydrophobicContact CD2-CE 3.79Å; L95-M121 HydrophobicContact CD2-SD 3.54Å; L95-M121 VanDerWaalsContact CD2-SD 3.54Å; V101-M121 HydrophobicContact CB-CE 4.02Å; V101-M121 HydrophobicContact CB-CG 4.44Å; V101-M121 HydrophobicContact CG1-CE 4.25Å; V101-M121 HydrophobicContact CG2-CE 3.35Å; M102-M121 VanDerWaalsContact O-CA 3.26Å; M102-M121 WeakPolarHBondContact O-CA 3.44Å; M102-M121 WeakPolarHBondContact O-CG 3.43Å; V103-M121 HydrophobicContact CG2-CE 4.08Å; V103-M121 HydrophobicContact CG2-CG 4.07Å; V103-M121 HydrophobicContact CG2-SD 4.3Å
122A92.8Very high95.3Very high33 Ų3364.6 Ų64.627%0.27333%0.333SS..EExtended strand (participates in β ladder)trans-144.1144175.100000110.8V101 M102V101-A122 CarbonylContact C-O 3.58Å; V101-A122 VanDerWaalsContact CA-O 3.27Å; V101-A122 WeakPolarHBondContact CA-O 3.49Å; V101-A122 WeakPolarHBondContact CB-O 3.44Å; M102-A122 HydrophobicContact CG-CB 3.72Å; M102-A122 PolarHBondContact N-O 3.11Å; M102-A122 PolarHBondContact O-N 2.81Å; M102-A122 HydrophobicContact SD-CB 3.71Å
123D93.2Very high95.4Very high66 Ų6667.2 Ų67.235%0.35333%0.333SS..EExtended strand (participates in β ladder)trans-71134174.3-172.624.3000111.1C94 S125C94-D123 HydrophobicContact CB-CB 3.78Å; D123-S125 WeakPolarHBondContact OD1-CB 3.39Å; D123-S125 PolarHBondContact OD1-N 2.9Å; D123-S125 PolarHBondContact OD1-OG 3.11Å
124L94.9Very high95.4Very high36 Ų3668.9 Ų68.919%0.18834%0.342CS..  trans-124.814.9175.2-65.4-176.6000111.1Q58 Y100 M102 E126 R127 A128Q58-L124 HydrophobicContact CG-CD1 4.33Å; Y100-L124 HydrophobicContact CD1-CB 3.8Å; Y100-L124 HydrophobicContact CD1-CD1 4.49Å; Y100-L124 HydrophobicContact CE1-CB 4.31Å; Y100-L124 HydrophobicContact CE1-CD1 4.22Å; Y100-L124 CarbonylContact O-C 3.35Å; Y100-L124 WeakPolarHBondContact O-CA 3.29Å; Y100-L124 WeakPolarHBondContact O-CB 3.41Å; Y100-L124 PolarHBondContact O-N 3.23Å; M102-L124 HydrophobicContact CB-CD1 3.79Å; M102-L124 HydrophobicContact CB-CG 4.36Å; M102-L124 HydrophobicContact CG-CD1 4.22Å; M102-L124 HydrophobicContact CG-CG 4.32Å; L124-E126 VanDerWaalsContact C-N 3.35Å; L124-E126 PolarHBondContact O-N 2.83Å; L124-R127 PolarHBondContact O-N 3.14Å; L124-A128 PolarHBondContact O-N 2.81Å
125S94.6Very high95.3Very high37 Ų3769 Ų6926%0.25934%0.342SS..G310 helixtrans-64.7-33.7-169.3-62.30000113.8N99 Y100 D123 R127 A128N99-S125 WeakPolarHBondContact CA-OG 3.43Å; Y100-S125 PolarHBondContact N-OG 2.94Å; Y100-S125 PolarHBondContact O-N 2.9Å; Y100-S125 PolarHBondContact O-OG 2.85Å; D123-S125 WeakPolarHBondContact OD1-CB 3.39Å; D123-S125 PolarHBondContact OD1-N 2.9Å; D123-S125 PolarHBondContact OD1-OG 3.11Å; S125-R127 PolarHBondContact O-N 2.89Å; S125-R127 VanDerWaalsContact O-N 3.12Å; S125-A128 WeakPolarHBondContact O-CB 3.28Å; S125-A128 PolarHBondContact O-N 2.81Å; S125-A128 VanDerWaalsContact O-N 3.16Å
126E94.5Very high95.3Very high190 Ų19069.8 Ų69.889%0.88835%0.347SS*.G310 helixtrans-53.5-37.1-179.1-171.5-173.7165.200112.8L124L124-E126 VanDerWaalsContact C-N 3.35Å; L124-E126 PolarHBondContact O-N 2.83Å
127R94.6Very high95.2Very high147 Ų14774.3 Ų74.356%0.55537%0.371SS*.G310 helixtrans-12532179.7-56.5-176.676-1733.3111.9L124 S125 A129 I130 H131L124-R127 PolarHBondContact O-N 3.14Å; S125-R127 PolarHBondContact O-N 2.89Å; S125-R127 VanDerWaalsContact O-N 3.12Å; R127-A129 PolarHBondContact O-N 2.88Å; R127-A129 VanDerWaalsContact O-N 3.11Å; R127-I130 PolarHBondContact O-N 3.42Å; R127-H131 PolarHBondContact O-CD2 3.06Å; R127-H131 VanDerWaalsContact O-CD2 3.27Å; R127-H131 PolarHBondContact O-N 2.75Å
128A94.7Very high95.3Very high23 Ų2370.7 Ų70.719%0.1936%0.359CS..Hα-helixtrans-49.6-42-175.400000113Y100 L124 S125 I130 H131 R132Y100-A128 HydrophobicContact CD1-CB 4.24Å; Y100-A128 HydrophobicContact CG-CB 4.02Å; L124-A128 PolarHBondContact O-N 2.81Å; S125-A128 WeakPolarHBondContact O-CB 3.28Å; S125-A128 PolarHBondContact O-N 2.81Å; S125-A128 VanDerWaalsContact O-N 3.16Å; A128-I130 VanDerWaalsContact C-N 3.29Å; A128-I130 PolarHBondContact O-N 3Å; A128-H131 PolarHBondContact O-N 3.17Å; A128-R132 WeakPolarHBondContact O-CB 3.2Å; A128-R132 PolarHBondContact O-N 3.47Å
129A95.7Very high95.4Very high71 Ų7170 Ų7059%0.58735%0.354SS*.Hα-helixtrans-61.1-35.6-179.700000113.4R127 K133R127-A129 PolarHBondContact O-N 2.88Å; R127-A129 VanDerWaalsContact O-N 3.11Å; A129-K133 WeakPolarHBondContact O-CD 3.49Å; A129-K133 VanDerWaalsContact O-CG 3.25Å; A129-K133 WeakPolarHBondContact O-CG 3.13Å; A129-K133 PolarHBondContact O-N 3.26Å
130I97.1Very high95.4Very high83 Ų8370.1 Ų70.143%0.42635%0.35SS..Hα-helixtrans-79.5-48.2178-63.3172000109.3R127 A128 R132 K133 M134R127-I130 PolarHBondContact O-N 3.42Å; A128-I130 VanDerWaalsContact C-N 3.29Å; A128-I130 PolarHBondContact O-N 3Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 2.56Å; I130-K133 PolarHBondContact O-N 2.93Å; I130-M134 HydrophobicContact CG2-CG 4.16Å; I130-M134 WeakPolarHBondContact O-CB 3.2Å; I130-M134 VanDerWaalsContact O-CG 3.32Å; I130-M134 WeakPolarHBondContact O-CG 3.29Å; I130-M134 PolarHBondContact O-N 3.21Å
131H96.7Very high95.6Very high50 Ų5069.5 Ų69.523%0.23135%0.353CS..Hα-helixtrans-59-44.6-179.4-68.2-56.2000112.2Y100 R127 A128 K133 M134 W135Y100-H131 HydrophobicContact CD1-CB 4.15Å; Y100-H131 HydrophobicContact CE1-CB 3.56Å; R127-H131 PolarHBondContact O-CD2 3.06Å; R127-H131 VanDerWaalsContact O-CD2 3.27Å; R127-H131 PolarHBondContact O-N 2.75Å; A128-H131 PolarHBondContact O-N 3.17Å; H131-K133 PolarHBondContact O-N 3.22Å; H131-M134 PolarHBondContact O-N 3.1Å; H131-W135 WeakPolarHBondContact O-CB 3.48Å; H131-W135 PolarHBondContact O-N 2.81Å
132R95.6Very high95.7Very high96 Ų9670.9 Ų70.936%0.36236%0.36SS..Hα-helixtrans-60.1-46.1176.9-174.8-176.5-76-178.62.4112.3T60 E76 Y100 A128 I130 M134 W135T60-R132 PolarHBondContact OG1-NH2 3.36Å; E76-R132 HydrophobicContact CG-CG 4.35Å; E76-R132 WeakPolarHBondContact OE1-CD 3.43Å; E76-R132 WeakPolarHBondContact OE1-CG 3.47Å; E76-R132 IonicContact OE1-NE 3.92Å; Y100-R132 HydrophobicContact CE2-CB 3.99Å; Y100-R132 HydrophobicContact CE2-CG 4.25Å; Y100-R132 WeakPolarHBondContact OH-CA 3.38Å; A128-R132 WeakPolarHBondContact O-CB 3.2Å; A128-R132 PolarHBondContact O-N 3.47Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 2.56Å; R132-M134 VanDerWaalsContact C-N 3.34Å; R132-M134 PolarHBondContact O-N 3.06Å; R132-W135 PolarHBondContact O-N 3.06Å
133K95.5Very high95.7Very high167 Ų16769.3 Ų69.373%0.72635%0.347SS*.Hα-helixtrans-64.8-37.8178-74.9177.3-178.8-177.20112.6A129 I130 H131A129-K133 WeakPolarHBondContact O-CD 3.49Å; A129-K133 VanDerWaalsContact O-CG 3.25Å; A129-K133 WeakPolarHBondContact O-CG 3.13Å; A129-K133 PolarHBondContact O-N 3.26Å; I130-K133 PolarHBondContact O-N 2.93Å; H131-K133 PolarHBondContact O-N 3.22Å
134M97.6Very high95.6Very high85 Ų8568.7 Ų68.742%0.41934%0.342SS..Hα-helixtrans-79.7-24.4-178.3-69-59.9-63.800112.8I130 H131 R132 T136 L137 E138I130-M134 HydrophobicContact CG2-CG 4.16Å; I130-M134 WeakPolarHBondContact O-CB 3.2Å; I130-M134 VanDerWaalsContact O-CG 3.32Å; I130-M134 WeakPolarHBondContact O-CG 3.29Å; I130-M134 PolarHBondContact O-N 3.21Å; H131-M134 PolarHBondContact O-N 3.1Å; R132-M134 VanDerWaalsContact C-N 3.34Å; R132-M134 PolarHBondContact O-N 3.06Å; M134-T136 PolarHBondContact O-N 2.87Å; M134-L137 HydrophobicContact CE-CD1 4.46Å; M134-L137 WeakPolarHBondContact O-CA 3.34Å; M134-L137 WeakPolarHBondContact O-CB 3.37Å; M134-L137 PolarHBondContact O-N 3.42Å; M134-L137 HydrophobicContact SD-CD1 4.13Å; M134-E138 HydrophobicContact CB-CG 4.48Å; M134-E138 WeakPolarHBondContact O-CG 3.31Å; M134-E138 PolarHBondContact O-N 3.11Å
135W97.9Very high95.3Very high2 Ų271.2 Ų71.21%0.00836%0.359CS..Hα-helixtrans-57.2-47.7-168.1-178.6-123.9000113.8K17 W56 Q58 H131 R132 L137 E138 V139K17-W135 HydrophobicContact CB-CH2 3.58Å; K17-W135 HydrophobicContact CB-CZ2 4.21Å; K17-W135 HydrophobicContact CB-CZ3 4.18Å; K17-W135 HydrophobicContact CD-CH2 3.92Å; K17-W135 HydrophobicContact CD-CZ3 3.67Å; K17-W135 HydrophobicContact CG-CH2 3.59Å; K17-W135 HydrophobicContact CG-CZ3 3.9Å; W56-W135 HydrophobicContact CB-CH2 4.38Å; W56-W135 AromaticContact CD1-CH2 3.22Å; W56-W135 AromaticContact CD1-CZ3 3.77Å; W56-W135 AromaticContact CG-CH2 3.93Å; W56-W135 HydrophobicContact CG-CH2 3.93Å; W56-W135 AromaticContact NE1-CH2 3.79Å; W56-W135 AromaticContact NE1-CZ3 3.84Å; W56-W135 WeakPolarHBondContact O-CH2 3.44Å; W56-W135 VanDerWaalsContact O-CZ2 3.29Å; W56-W135 WeakPolarHBondContact O-CZ2 3.38Å; Q58-W135 HydrophobicContact CB-CD2 3.87Å; Q58-W135 HydrophobicContact CB-CE3 4.4Å; Q58-W135 HydrophobicContact CB-CG 4.02Å; Q58-W135 HydrophobicContact CB-CZ2 4.49Å; Q58-W135 HydrophobicContact CG-CD2 3.62Å; Q58-W135 HydrophobicContact CG-CE3 3.64Å; Q58-W135 HydrophobicContact CG-CG 4.23Å; Q58-W135 HydrophobicContact CG-CH2 4.08Å; Q58-W135 HydrophobicContact CG-CZ2 4.09Å; Q58-W135 HydrophobicContact CG-CZ3 3.86Å; Q58-W135 VanDerWaalsContact NE2-CZ3 3.3Å; H131-W135 WeakPolarHBondContact O-CB 3.48Å; H131-W135 PolarHBondContact O-N 2.81Å; R132-W135 PolarHBondContact O-N 3.06Å; W135-L137 VanDerWaalsContact C-N 3.29Å; W135-L137 PolarHBondContact O-N 2.99Å; W135-E138 HydrophobicContact CE3-CB 4.3Å; W135-E138 PolarHBondContact O-N 2.92Å; W135-V139 HydrophobicContact CD2-CG2 4.03Å; W135-V139 HydrophobicContact CE3-CG2 4.42Å; W135-V139 HydrophobicContact CH2-CG2 4.15Å; W135-V139 HydrophobicContact CZ2-CG2 3.69Å; W135-V139 HydrophobicContact CZ3-CG2 4.5Å; W135-V139 VanDerWaalsContact O-CG2 3.25Å; W135-V139 WeakPolarHBondContact O-CG2 3.21Å; W135-V139 PolarHBondContact O-N 3.3Å
136T96.8Very high95Very high47 Ų4771.7 Ų71.729%0.28836%0.359SS..Hα-helixtrans-59.9-39.8176.6-570000112.1L19 L42 M134 V139 E140L19-T136 HydrophobicContact CD1-CG2 4.19Å; L42-T136 HydrophobicContact CD2-CG2 3.98Å; M134-T136 PolarHBondContact O-N 2.87Å; T136-V139 PolarHBondContact O-N 2.8Å; T136-E140 PolarHBondContact O-N 2.81Å
137L96.7Very high93.8Very high95 Ų9570.9 Ų70.950%0.49737%0.367SS..Hα-helixtrans-67.7-41.2177.6-59.8172.6000111.3M134 W135 V139 E140 D141M134-L137 HydrophobicContact CE-CD1 4.46Å; M134-L137 WeakPolarHBondContact O-CA 3.34Å; M134-L137 WeakPolarHBondContact O-CB 3.37Å; M134-L137 PolarHBondContact O-N 3.42Å; M134-L137 HydrophobicContact SD-CD1 4.13Å; W135-L137 VanDerWaalsContact C-N 3.29Å; W135-L137 PolarHBondContact O-N 2.99Å; L137-V139 VanDerWaalsContact C-N 3.31Å; L137-V139 PolarHBondContact O-N 2.85Å; L137-E140 PolarHBondContact O-N 2.85Å; L137-D141 VanDerWaalsContact O-CB 3.3Å; L137-D141 WeakPolarHBondContact O-CB 3.48Å; L137-D141 PolarHBondContact O-N 2.78Å
138E97.6Very high93.8Very high49 Ų4967.1 Ų67.123%0.22936%0.358CS..Hα-helixtrans-64.6-35176.1-72.4-176.4-139.300112.7K17 M134 W135 L142K17-E138 HydrophobicContact CD-CB 4.2Å; K17-E138 IonicContact NZ-OE2 2.7Å; K17-E138 PolarHBondContact NZ-OE2 3.14Å; M134-E138 HydrophobicContact CB-CG 4.48Å; M134-E138 WeakPolarHBondContact O-CG 3.31Å; M134-E138 PolarHBondContact O-N 3.11Å; W135-E138 HydrophobicContact CE3-CB 4.3Å; W135-E138 PolarHBondContact O-N 2.92Å; E138-L142 WeakPolarHBondContact O-CB 3.26Å; E138-L142 PolarHBondContact O-N 2.97Å
139V97Very high93.8Very high0 Ų069.4 Ų69.40%037%0.366CS..Hα-helixtrans-66.9-48.9174.6171.30000109.8K17 L19 L42 W135 T136 L137 Q143K17-V139 HydrophobicContact CB-CG2 3.97Å; L19-V139 HydrophobicContact CD2-CG2 4.43Å; L19-V139 HydrophobicContact CG-CG1 4.3Å; L19-V139 HydrophobicContact CG-CG2 4.28Å; L42-V139 HydrophobicContact CB-CG1 4.44Å; L42-V139 HydrophobicContact CD2-CB 4.37Å; L42-V139 HydrophobicContact CD2-CG1 4.01Å; W135-V139 HydrophobicContact CD2-CG2 4.03Å; W135-V139 HydrophobicContact CE3-CG2 4.42Å; W135-V139 HydrophobicContact CH2-CG2 4.15Å; W135-V139 HydrophobicContact CZ2-CG2 3.69Å; W135-V139 HydrophobicContact CZ3-CG2 4.5Å; W135-V139 VanDerWaalsContact O-CG2 3.25Å; W135-V139 WeakPolarHBondContact O-CG2 3.21Å; W135-V139 PolarHBondContact O-N 3.3Å; T136-V139 PolarHBondContact O-N 2.8Å; L137-V139 VanDerWaalsContact C-N 3.31Å; L137-V139 PolarHBondContact O-N 2.85Å; V139-Q143 WeakPolarHBondContact O-CB 3.12Å; V139-Q143 VanDerWaalsContact O-CG 3.24Å; V139-Q143 WeakPolarHBondContact O-CG 3.45Å; V139-Q143 PolarHBondContact O-N 3.21Å; V139-Q143 VanDerWaalsContact O-N 3.09Å
140E95.5Very high93.7Very high60 Ų6069.3 Ų69.328%0.2835%0.354SS..Hα-helixtrans-61.2-52.4179.2-178.2169-163.600112L42 G43 T136 L137 L142 Q143 Q144L42-E140 HydrophobicContact CB-CB 4.43Å; L42-E140 HydrophobicContact CD2-CB 3.83Å; L42-E140 HydrophobicContact CG-CB 3.99Å; L42-E140 HydrophobicContact CG-CG 4.31Å; G43-E140 WeakPolarHBondContact CA-OE1 3.43Å; T136-E140 PolarHBondContact O-N 2.81Å; L137-E140 PolarHBondContact O-N 2.85Å; E140-L142 PolarHBondContact O-N 2.92Å; E140-Q143 PolarHBondContact O-N 3.22Å; E140-Q143 VanDerWaalsContact O-N 3.13Å; E140-Q144 HydrophobicContact CG-CG 4.41Å; E140-Q144 WeakPolarHBondContact O-CG 3.45Å; E140-Q144 PolarHBondContact O-N 3.17Å; E140-Q144 PolarHBondContact OE1-NE2 3.11Å
141D95.3Very high93.4Very high107 Ų10768.5 Ų68.557%0.57235%0.35SS*.Hα-helixtrans-56.9-46.9-179.3179.271.9000112L137 Q143 Q144 T145L137-D141 VanDerWaalsContact O-CB 3.3Å; L137-D141 WeakPolarHBondContact O-CB 3.48Å; L137-D141 PolarHBondContact O-N 2.78Å; D141-Q143 PolarHBondContact O-N 2.75Å; D141-Q144 PolarHBondContact O-N 3.03Å; D141-T145 WeakPolarHBondContact O-CG2 3.37Å; D141-T145 PolarHBondContact O-N 2.94Å; D141-T145 PolarHBondContact O-OG1 3.4Å
142L95.1Very high93.2Very high44 Ų4469.7 Ų69.723%0.2336%0.357CS..Hα-helixtrans-59.9-47.7175.9179.366.9000111.2K17 E138 E140 Q144 T145 L146K17-L142 HydrophobicContact CB-CD2 3.69Å; K17-L142 HydrophobicContact CD-CB 4.47Å; K17-L142 HydrophobicContact CD-CD2 3.98Å; K17-L142 HydrophobicContact CG-CD2 3.61Å; E138-L142 WeakPolarHBondContact O-CB 3.26Å; E138-L142 PolarHBondContact O-N 2.97Å; E140-L142 PolarHBondContact O-N 2.92Å; L142-Q144 VanDerWaalsContact C-N 3.27Å; L142-Q144 PolarHBondContact O-N 3.01Å; L142-T145 PolarHBondContact O-N 3.45Å; L142-T145 VanDerWaalsContact O-N 3.17Å; L142-T145 PolarHBondContact O-OG1 2.98Å; L142-L146 HydrophobicContact CD1-CD2 4.48Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.1Å; L142-L146 HydrophobicContact CG-CG 4.31Å; L142-L146 WeakPolarHBondContact O-CG 3.44Å; L142-L146 PolarHBondContact O-N 3.21Å
143Q93.9Very high93.1Very high0 Ų067.9 Ų67.90%036%0.357CS..Hα-helixtrans-71.7-23.1-174.2-67.7179.915.500113K17 R41 L50 V139 E140 D141K17-Q143 PolarHBondContact O-NE2 3.03Å; R41-Q143 VanDerWaalsContact CA-OE1 3.31Å; R41-Q143 HydrophobicContact CG-CB 4.49Å; R41-Q143 PolarHBondContact NH1-O 3.46Å; L50-Q143 HydrophobicContact CD1-CB 4.14Å; L50-Q143 HydrophobicContact CD1-CG 3.69Å; V139-Q143 WeakPolarHBondContact O-CB 3.12Å; V139-Q143 VanDerWaalsContact O-CG 3.24Å; V139-Q143 WeakPolarHBondContact O-CG 3.45Å; V139-Q143 PolarHBondContact O-N 3.21Å; V139-Q143 VanDerWaalsContact O-N 3.09Å; E140-Q143 PolarHBondContact O-N 3.22Å; E140-Q143 VanDerWaalsContact O-N 3.13Å; D141-Q143 PolarHBondContact O-N 2.75Å
144Q90.8Very high92.9Very high54 Ų5460.9 Ų60.925%0.25233%0.331SS..Hα-helixtrans-72.8-34.7171-70-177.61800112.1L45 K46 E140 D141 L142L45-Q144 HydrophobicContact CD1-CB 4.43Å; L45-Q144 HydrophobicContact CD1-CG 4.34Å; K46-Q144 WeakPolarHBondContact CE-O 3.25Å; K46-Q144 PolarHBondContact NZ-O 3.07Å; E140-Q144 HydrophobicContact CG-CG 4.41Å; E140-Q144 WeakPolarHBondContact O-CG 3.45Å; E140-Q144 PolarHBondContact O-N 3.17Å; E140-Q144 PolarHBondContact OE1-NE2 3.11Å; D141-Q144 PolarHBondContact O-N 3.03Å; L142-Q144 VanDerWaalsContact C-N 3.27Å; L142-Q144 PolarHBondContact O-N 3.01Å
145T89.3Confident92.6Very high89 Ų8959 Ų5955%0.54632%0.324SS..Hα-helixtrans-81.7-28.7-178.357.80000113.7D141 L142 T147D141-T145 WeakPolarHBondContact O-CG2 3.37Å; D141-T145 PolarHBondContact O-N 2.94Å; D141-T145 PolarHBondContact O-OG1 3.4Å; L142-T145 PolarHBondContact O-N 3.45Å; L142-T145 VanDerWaalsContact O-N 3.17Å; L142-T145 PolarHBondContact O-OG1 2.98Å; T145-T147 PolarHBondContact O-N 3.38Å
146L87.8Confident92.1Very high47 Ų4763.8 Ų63.825%0.24635%0.35CS..  trans-60.2121.3175.8-70.6171.2000111.2I16 R41 K46 L50 L142I16-L146 HydrophobicContact CD1-CD1 3.91Å; I16-L146 HydrophobicContact CD1-CD2 4.5Å; I16-L146 HydrophobicContact CG2-CD1 4.12Å; R41-L146 PolarHBondContact NH1-O 3.15Å; K46-L146 PolarHBondContact NZ-O 3.09Å; L50-L146 HydrophobicContact CD1-CD1 4.37Å; L50-L146 HydrophobicContact CD2-CD1 4.28Å; L142-L146 HydrophobicContact CD1-CD2 4.48Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.1Å; L142-L146 HydrophobicContact CG-CG 4.31Å; L142-L146 WeakPolarHBondContact O-CG 3.44Å; L142-L146 PolarHBondContact O-N 3.21Å
147T69.7Low91.7Very high173 Ų17365.3 Ų65.3100%1.06136%0.356SS*.  trans-75.80174.549.40000111R41 T145R41-T147 PolarHBondContact NH2-OXT 3.13Å; T145-T147 PolarHBondContact O-N 3.38Å

Retrieved 147 of 147 residues in 511.5 ms (Link to these results)

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