Q6IQM0_DANRE Loading...

Splicing factor 3B subunit 6

AlphaFold DB , UniProt , Accession Q6IQM0, Species DANRE (Danio rerio, Zebrafish), Gene sf3b6, Length 125 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
1M53.5Low56.9Low238 Ų238128.5 Ų128.5100%1.17272%0.716SS**  04.50-74.6-177.4-175.900114.9
2A51.8Low58.9Low88 Ų88138.2 Ų138.273%0.72773%0.734SS**  trans-81.9-19.6-177.400000115.7Q4A2-Q4 PolarHBondContact O-N 2.95Å
3M46.6Very low61Low174 Ų174130.9 Ų130.986%0.85770%0.695SS**Hα-helixtrans-75.5-22-173.2-79-173.1173.300115.3
4Q54.3Low63Low161 Ų161125.4 Ų125.475%0.75267%0.67SS**Hα-helixtrans-77.9-31.1179.8-85.8-179.218.500113.2A2A2-Q4 PolarHBondContact O-N 2.95Å
5A56.4Low64.7Low71 Ų71122.9 Ų122.959%0.58766%0.663SS**Hα-helixtrans-67.3-37.4179.500000112.2K7 R8A5-K7 PolarHBondContact O-N 3.1Å; A5-R8 PolarHBondContact O-N 3.16Å
6A52.9Low66.2Low77 Ų77121.2 Ų121.264%0.63665%0.65SS**Hα-helixtrans-68-31.5-178.700000113.6R8A6-R8 VanDerWaalsContact C-N 3.33Å; A6-R8 PolarHBondContact O-N 2.83Å
7K53.9Low67.8Low177 Ų177114.9 Ų114.977%0.7762%0.617SS**Hα-helixtrans-71.1-25.6175.6-92-173.4174.2-1780113.2A5A5-K7 PolarHBondContact O-N 3.1Å
8R57.1Low69.3Low87 Ų87111.1 Ų111.133%0.32860%0.596SS.*Hα-helixtrans-73.5-25.2179.8-73.9-177.7167.1-169-4.3112.9A5 A6 N10 I11 D66 F68 D69A5-R8 PolarHBondContact O-N 3.16Å; A6-R8 VanDerWaalsContact C-N 3.33Å; A6-R8 PolarHBondContact O-N 2.83Å; R8-N10 VanDerWaalsContact C-N 3.27Å; R8-N10 PolarHBondContact O-N 3Å; R8-N10 VanDerWaalsContact O-N 3.17Å; R8-I11 PolarHBondContact O-N 3.32Å; R8-D66 IonicContact CZ-OD1 2.9Å; R8-D66 VanDerWaalsContact NH1-CG 3.26Å; R8-D66 IonicContact NH1-OD1 3.86Å; R8-D66 PolarHBondContact NH1-OD1 3.29Å; R8-D66 IonicContact NH1-OD2 3.91Å; R8-D66 PolarHBondContact NH1-OD2 3.49Å; R8-F68 HydrophobicContact CB-CD2 4.43Å; R8-F68 HydrophobicContact CB-CE2 3.89Å; R8-F68 HydrophobicContact CB-CZ 4.04Å; R8-F68 HydrophobicContact CG-CD2 4.15Å; R8-F68 HydrophobicContact CG-CE2 4.12Å; R8-F68 HydrophobicContact CG-CG 4.47Å; R8-F68 HydrophobicContact CG-CZ 4.41Å; R8-D69 IonicContact CZ-OD1 2.8Å; R8-D69 IonicContact NH1-OD1 3.89Å; R8-D69 IonicContact NH2-OD1 2.91Å; R8-D69 PolarHBondContact NH2-OD1 3.43Å
9A60.3Low70.7Confident87 Ų87111.9 Ų111.972%0.71959%0.59SS**THydrogen-bonded Turntrans-66.2-20-170.400000115.4
10N65.1Low72Confident157 Ų157108.7 Ų108.784%0.8457%0.573SS**THydrogen-bonded Turntrans-112.56.2-176.6-108.25000114.8R8 R12R8-N10 VanDerWaalsContact C-N 3.27Å; R8-N10 PolarHBondContact O-N 3Å; R8-N10 VanDerWaalsContact O-N 3.17Å; N10-R12 PolarHBondContact O-N 2.95Å
11I74Confident73.2Confident96 Ų96103.5 Ų103.549%0.49255%0.545SS..  trans-86.7104.4178.9-57.7174.6000108.3R8 L13 F68R8-I11 PolarHBondContact O-N 3.32Å; I11-L13 HydrophobicContact CG2-CD2 4.38Å; I11-L13 PolarHBondContact O-N 3.48Å; I11-F68 HydrophobicContact CB-CE1 4.14Å; I11-F68 HydrophobicContact CG2-CE1 4.32Å
12R80.6Confident75.3Confident245 Ų24594.8 Ų94.893%0.92550%0.5SS*.  trans-70.8108.9169.6-69.6-173.7174.8-167-2.1108.9N10N10-R12 PolarHBondContact O-N 2.95Å
13L86.8Confident77.5Confident44 Ų4490.6 Ų90.623%0.2347%0.465CS..  trans-76.1141.3175.3-68.8170.8000110.4I11 V17 I67 F68 K71I11-L13 HydrophobicContact CG2-CD2 4.38Å; I11-L13 PolarHBondContact O-N 3.48Å; L13-V17 HydrophobicContact CB-CB 4.33Å; L13-V17 HydrophobicContact CB-CG2 4.47Å; L13-V17 HydrophobicContact CD1-CG1 4.35Å; L13-V17 HydrophobicContact CD2-CG1 4.43Å; L13-I67 HydrophobicContact CD1-CB 4.36Å; L13-I67 HydrophobicContact CD1-CD1 3.78Å; L13-I67 HydrophobicContact CD1-CG1 3.85Å; L13-I67 HydrophobicContact CD1-CG2 3.64Å; L13-F68 HydrophobicContact CD1-CD1 4.11Å; L13-F68 HydrophobicContact CD1-CE1 3.77Å; L13-F68 HydrophobicContact CD1-CZ 4.15Å; L13-F68 HydrophobicContact CD2-CD1 4.09Å; L13-F68 HydrophobicContact CD2-CE1 3.98Å; L13-F68 HydrophobicContact CG-CD1 4.44Å; L13-F68 HydrophobicContact CG-CE1 3.94Å; L13-K71 HydrophobicContact CD2-CD 3.6Å
14P89.1Confident79.8Confident53 Ų5388.3 Ų88.334%0.34445%0.447SS..  trans-55145.4170-24.232.4000111.6E16 V17P14-E16 HydrophobicContact CB-CG 4.24Å; P14-E16 WeakPolarHBondContact CB-OE1 3.27Å; P14-E16 VanDerWaalsContact CB-OE2 3.29Å; P14-E16 WeakPolarHBondContact CB-OE2 3.37Å; P14-E16 PolarHBondContact O-N 3.28Å; P14-E16 VanDerWaalsContact O-N 3.11Å; P14-V17 HydrophobicContact CB-CG2 4.1Å; P14-V17 HydrophobicContact CG-CG2 4.19Å; P14-V17 WeakPolarHBondContact O-CB 3.4Å; P14-V17 WeakPolarHBondContact O-CG2 2.94Å; P14-V17 PolarHBondContact O-N 3.46Å
15P88.1Confident81.8Confident88 Ų8883.4 Ų83.457%0.57143%0.426SS*.THydrogen-bonded Turntrans-64.2-17.8-173.726.6-36.1000114.3
16E89.1Confident83.6Confident96 Ų9680.1 Ų80.145%0.44940%0.398SS..THydrogen-bonded Turntrans-78-18.5174.563.7-87.5-161.100113.7P14 N18 Y91P14-E16 HydrophobicContact CB-CG 4.24Å; P14-E16 WeakPolarHBondContact CB-OE1 3.27Å; P14-E16 VanDerWaalsContact CB-OE2 3.29Å; P14-E16 WeakPolarHBondContact CB-OE2 3.37Å; P14-E16 PolarHBondContact O-N 3.28Å; P14-E16 VanDerWaalsContact O-N 3.11Å; E16-N18 PolarHBondContact O-N 2.95Å; E16-Y91 HydrophobicContact CG-CD2 4.35Å; E16-Y91 WeakPolarHBondContact O-CB 3.24Å
17V93Very high85.6Confident14 Ų1477 Ų779%0.08537%0.371CS..  trans-67.3128.3-177.7-179.70000109.5L13 P14 I67 K71 Y91L13-V17 HydrophobicContact CB-CB 4.33Å; L13-V17 HydrophobicContact CB-CG2 4.47Å; L13-V17 HydrophobicContact CD1-CG1 4.35Å; L13-V17 HydrophobicContact CD2-CG1 4.43Å; P14-V17 HydrophobicContact CB-CG2 4.1Å; P14-V17 HydrophobicContact CG-CG2 4.19Å; P14-V17 WeakPolarHBondContact O-CB 3.4Å; P14-V17 WeakPolarHBondContact O-CG2 2.94Å; P14-V17 PolarHBondContact O-N 3.46Å; V17-I67 HydrophobicContact CG1-CD1 4.09Å; V17-I67 HydrophobicContact CG1-CG1 3.74Å; V17-K71 HydrophobicContact CG1-CB 4.04Å; V17-Y91 HydrophobicContact CB-CE1 4.29Å; V17-Y91 HydrophobicContact CG1-CD1 4.48Å; V17-Y91 HydrophobicContact CG1-CE1 3.82Å; V17-Y91 HydrophobicContact CG2-CE1 4.44Å; V17-Y91 HydrophobicContact CG2-CE2 4.11Å
18N94.1Very high87.5Confident46 Ų4674.5 Ų74.525%0.24636%0.358CS..  trans-136151.9-177.5-157.5-59.9000110.4E16 I20 A70 Y91E16-N18 PolarHBondContact O-N 2.95Å; N18-I20 PolarHBondContact O-N 3.39Å; N18-I20 PolarHBondContact OD1-N 3.47Å; N18-A70 VanDerWaalsContact O-CB 3.32Å; N18-A70 WeakPolarHBondContact O-CB 3.43Å; N18-Y91 HydrophobicContact CB-CD1 4.43Å; N18-Y91 VanDerWaalsContact N-CD1 3.32Å
19R96.3Very high89.1Confident127 Ų12779.4 Ų79.448%0.47938%0.382SS..SBendtrans-67-22.3171-75.7-173-69.4172.1-0.9113.1Y64 E65 I67R19-Y64 PolarHBondContact O-N 2.99Å; R19-E65 WeakPolarHBondContact CD-O 3.36Å; R19-E65 PolarHBondContact NH1-O 3.5Å; R19-E65 VanDerWaalsContact NH1-O 3.13Å; R19-I67 HydrophobicContact CG-CB 3.76Å; R19-I67 HydrophobicContact CG-CG1 4.25Å
20I97.4Very high90.7Very high47 Ų4776.5 Ų76.524%0.24135%0.354CS..EExtended strand (participates in β ladder)trans-95.1121.9178.4-50.1173.8000108.3N18 Y61 V62 V63 Y92N18-I20 PolarHBondContact O-N 3.39Å; N18-I20 PolarHBondContact OD1-N 3.47Å; I20-Y61 HydrophobicContact CG2-CD1 4.03Å; I20-V62 CarbonylContact C-O 3.56Å; I20-V62 WeakPolarHBondContact CA-O 3.32Å; I20-V63 HydrophobicContact CG1-CG1 4.12Å; I20-V63 HydrophobicContact CG1-CG2 4.12Å; I20-V63 HydrophobicContact CG2-CG2 4.28Å; I20-Y92 HydrophobicContact CB-CG 4.1Å; I20-Y92 HydrophobicContact CD1-CD1 4.49Å; I20-Y92 HydrophobicContact CD1-CG 4.44Å; I20-Y92 HydrophobicContact CG2-CD2 4.02Å; I20-Y92 HydrophobicContact CG2-CG 4Å; I20-Y92 WeakPolarHBondContact O-CB 3.4Å; I20-Y92 PolarHBondContact O-N 2.93Å
21L97.6Very high92Very high0 Ų072.3 Ų72.30%033%0.334CS..EExtended strand (participates in β ladder)trans-101.9138.9170.9-56.1-174.6000110.1I23 Y61 V62 Y64 A70 A73 C74 V89 L90 Y91L21-I23 HydrophobicContact CB-CD1 3.89Å; L21-Y61 VanDerWaalsContact O-CA 3.31Å; L21-Y61 WeakPolarHBondContact O-CA 3.44Å; L21-V62 HydrophobicContact CB-CB 4.49Å; L21-V62 PolarHBondContact N-O 3.34Å; L21-V62 PolarHBondContact O-N 3.44Å; L21-Y64 HydrophobicContact CD1-CD2 4.37Å; L21-Y64 HydrophobicContact CD1-CE2 3.76Å; L21-Y64 HydrophobicContact CG-CD2 4.5Å; L21-Y64 HydrophobicContact CG-CE2 4.31Å; L21-A70 HydrophobicContact CD2-CB 4.3Å; L21-A70 HydrophobicContact CG-CB 4.43Å; L21-A73 HydrophobicContact CD1-CB 3.88Å; L21-C74 HydrophobicContact CD1-CB 4.4Å; L21-C74 HydrophobicContact CD2-CB 4.06Å; L21-V89 HydrophobicContact CB-CG1 4.31Å; L21-V89 HydrophobicContact CD1-CG1 3.84Å; L21-L90 CarbonylContact C-O 3.53Å; L21-L90 WeakPolarHBondContact CA-O 3.44Å; L21-Y91 HydrophobicContact CD2-CD1 3.56Å; L21-Y91 HydrophobicContact CD2-CE1 3.81Å
22Y97.3Very high92.9Very high55 Ų5571.1 Ų71.122%0.21634%0.339CS..EExtended strand (participates in β ladder)trans-101.5118.8169.8179.2-126.2000109.6R24 T59 Y61 L90Y22-R24 HydrophobicContact CD1-CG 4.01Å; Y22-R24 HydrophobicContact CE1-CG 3.4Å; Y22-T59 HydrophobicContact CE2-CG2 4.28Å; Y22-T59 WeakPolarHBondContact OH-CG2 3.19Å; Y22-Y61 AromaticContact CD2-CD1 3.89Å; Y22-Y61 HydrophobicContact CD2-CD1 3.89Å; Y22-Y61 AromaticContact CD2-CE1 3.37Å; Y22-Y61 HydrophobicContact CD2-CE1 3.37Å; Y22-Y61 HydrophobicContact CD2-CE2 4.39Å; Y22-Y61 AromaticContact CD2-CZ 3.67Å; Y22-Y61 HydrophobicContact CE2-CE1 4.22Å; Y22-Y61 HydrophobicContact CG-CD1 4.48Å; Y22-Y61 AromaticContact CG-CE1 3.9Å; Y22-Y61 HydrophobicContact CG-CE1 3.9Å; Y22-L90 HydrophobicContact CD1-CD1 4.39Å; Y22-L90 PolarHBondContact N-O 2.78Å; Y22-L90 PolarHBondContact O-N 3.02Å
23I96.8Very high93.5Very high0 Ų066.3 Ų66.30%033%0.327CS..EExtended strand (participates in β ladder)trans-104.7136-177.3-40.1-57000108.6L21 L26 F39 T59 A60 V62 L87 V88 V89L21-I23 HydrophobicContact CB-CD1 3.89Å; I23-L26 HydrophobicContact CB-CD1 4Å; I23-L26 HydrophobicContact CB-CG 4.38Å; I23-L26 HydrophobicContact CG2-CD1 3.89Å; I23-L26 HydrophobicContact CG2-CD2 3.91Å; I23-L26 HydrophobicContact CG2-CG 3.72Å; I23-F39 HydrophobicContact CB-CZ 4.47Å; I23-F39 HydrophobicContact CD1-CE1 3.49Å; I23-F39 VanDerWaalsContact CD1-CE1 3.49Å; I23-F39 HydrophobicContact CD1-CZ 3.6Å; I23-F39 HydrophobicContact CG1-CE1 4.03Å; I23-F39 HydrophobicContact CG1-CE2 4.44Å; I23-F39 HydrophobicContact CG1-CZ 3.64Å; I23-F39 HydrophobicContact CG2-CZ 4.04Å; I23-T59 CarbonylContact O-C 3.49Å; I23-T59 WeakPolarHBondContact O-CA 3.13Å; I23-T59 WeakPolarHBondContact O-CB 3.39Å; I23-A60 HydrophobicContact CB-CB 4.37Å; I23-A60 HydrophobicContact CG1-CB 4.46Å; I23-A60 PolarHBondContact N-O 2.63Å; I23-A60 PolarHBondContact O-N 3.36Å; I23-V62 HydrophobicContact CD1-CG2 4.31Å; I23-V62 HydrophobicContact CG1-CG2 3.84Å; I23-L87 HydrophobicContact CG2-CD1 4.49Å; I23-V88 CarbonylContact C-O 3.56Å; I23-V88 WeakPolarHBondContact CA-O 3.39Å; I23-V89 HydrophobicContact CD1-CB 4.3Å; I23-V89 HydrophobicContact CD1-CG1 3.74Å; I23-V89 HydrophobicContact CD1-CG2 4.05Å
24R96Very high93.9Very high127 Ų12767.6 Ų67.648%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-127.4165.7170.8-49.3170.863.3-160.2-4.1110.6Y22 L26 G58 T59 V88Y22-R24 HydrophobicContact CD1-CG 4.01Å; Y22-R24 HydrophobicContact CE1-CG 3.4Å; R24-L26 VanDerWaalsContact C-N 3.25Å; R24-L26 PolarHBondContact O-N 3.49Å; R24-G58 CarbonylContact C-O 3.53Å; R24-T59 HydrophobicContact CG-CG2 4.42Å; R24-V88 HydrophobicContact CB-CB 4.14Å; R24-V88 PolarHBondContact N-O 2.82Å; R24-V88 PolarHBondContact O-N 3.42Å
25N95.8Very high94.2Very high58 Ų5865.1 Ų65.131%0.3132%0.315SS..SBendtrans64.727.5-178.9-159.829.5000113.7G58 R85 Y86N25-G58 PolarHBondContact N-O 2.86Å; N25-G58 VanDerWaalsContact N-O 3.1Å; N25-R85 PolarHBondContact O-NE 2.89Å; N25-R85 PolarHBondContact OD1-NE 3.42Å; N25-R85 VanDerWaalsContact OD1-NE 3.1Å; N25-R85 PolarHBondContact OD1-NH2 2.9Å; N25-Y86 WeakPolarHBondContact CB-O 3.39Å; N25-Y86 PolarHBondContact ND2-O 2.87Å
26L95.1Very high94.5Very high1 Ų166.3 Ų66.31%0.00531%0.309CS..  trans-66.4142.5174.2-76165000110.9I23 R24 Y28 I30 M35 G58 A60 L87I23-L26 HydrophobicContact CB-CD1 4Å; I23-L26 HydrophobicContact CB-CG 4.38Å; I23-L26 HydrophobicContact CG2-CD1 3.89Å; I23-L26 HydrophobicContact CG2-CD2 3.91Å; I23-L26 HydrophobicContact CG2-CG 3.72Å; R24-L26 VanDerWaalsContact C-N 3.25Å; R24-L26 PolarHBondContact O-N 3.49Å; L26-Y28 PolarHBondContact O-N 3.47Å; L26-I30 HydrophobicContact CB-CG2 4.49Å; L26-I30 HydrophobicContact CD2-CD1 3.94Å; L26-M35 HydrophobicContact CD1-CE 3.98Å; L26-M35 HydrophobicContact CD1-SD 4.24Å; L26-M35 HydrophobicContact CD2-CE 4.33Å; L26-M35 HydrophobicContact CD2-SD 3.76Å; L26-G58 PolarHBondContact N-O 2.97Å; L26-A60 HydrophobicContact CD1-CB 3.4Å; L26-A60 VanDerWaalsContact CD1-CB 3.4Å; L26-L87 HydrophobicContact CD2-CD1 4.3Å; L26-L87 HydrophobicContact CD2-CD2 3.64Å; L26-L87 HydrophobicContact CG-CD2 4.22Å
27P94.1Very high94.8Very high11 Ų1167 Ų677%0.07132%0.316CS..  trans-55.4135.5167.9-22.132.5000110.9K29 I30 V82 C83P27-K29 PolarHBondContact O-N 3.42Å; P27-K29 VanDerWaalsContact O-N 3.11Å; P27-I30 HydrophobicContact CB-CB 4.33Å; P27-I30 WeakPolarHBondContact O-CB 3.48Å; P27-I30 VanDerWaalsContact O-CG2 3.31Å; P27-I30 WeakPolarHBondContact O-CG2 3.31Å; P27-I30 PolarHBondContact O-N 3.21Å; P27-I30 VanDerWaalsContact O-N 3.15Å; P27-V82 HydrophobicContact CG-CB 4.04Å; P27-V82 HydrophobicContact CG-CG1 3.81Å; P27-C83 HydrophobicContact CB-CB 4.26Å; P27-C83 HydrophobicContact CG-CB 3.95Å
28Y92.9Very high94.9Very high125 Ų12567.5 Ų67.549%0.4932%0.318SS..THydrogen-bonded Turntrans-68.9-10.4-176.8-66.5-23.3000115.1L26 R57L26-Y28 PolarHBondContact O-N 3.47Å; Y28-R57 HydrophobicContact CD1-CG 3.75Å; Y28-R57 HydrophobicContact CE1-CB 4.5Å; Y28-R57 HydrophobicContact CE1-CG 4.04Å; Y28-R57 HydrophobicContact CG-CG 4.27Å
29K92.1Very high95.1Very high191 Ų19165.3 Ų65.383%0.8331%0.306SS*.THydrogen-bonded Turntrans-114.311.9178.9-62.3-173.6177.8-1760112.1P27 T31P27-K29 PolarHBondContact O-N 3.42Å; P27-K29 VanDerWaalsContact O-N 3.11Å; K29-T31 PolarHBondContact O-N 3.41Å
30I92.9Very high95.1Very high26 Ų2660.8 Ų60.813%0.13330%0.299CS..  trans-61.3132.1178.5-162.5161.9000109.9L26 P27 E34 M35 I38 V82L26-I30 HydrophobicContact CB-CG2 4.49Å; L26-I30 HydrophobicContact CD2-CD1 3.94Å; P27-I30 HydrophobicContact CB-CB 4.33Å; P27-I30 WeakPolarHBondContact O-CB 3.48Å; P27-I30 VanDerWaalsContact O-CG2 3.31Å; P27-I30 WeakPolarHBondContact O-CG2 3.31Å; P27-I30 PolarHBondContact O-N 3.21Å; P27-I30 VanDerWaalsContact O-N 3.15Å; I30-E34 HydrophobicContact CD1-CB 4.46Å; I30-E34 HydrophobicContact CG1-CB 3.92Å; I30-M35 HydrophobicContact CD1-CG 4.13Å; I30-M35 HydrophobicContact CD1-SD 3.53Å; I30-M35 VanDerWaalsContact CD1-SD 3.53Å; I30-M35 HydrophobicContact CG1-CG 4.09Å; I30-M35 HydrophobicContact CG1-SD 4.08Å; I30-M35 HydrophobicContact CG2-CG 4.32Å; I30-M35 HydrophobicContact CG2-SD 4.11Å; I30-I38 HydrophobicContact CD1-CD1 4.29Å; I30-V82 HydrophobicContact CD1-CG1 4.19Å
31T93.2Very high95Very high68 Ų6866.8 Ų66.842%0.41732%0.323SS..  trans-85.5162.2-179.265.90000110.9K29 E33 E34 M35K29-T31 PolarHBondContact O-N 3.41Å; T31-E33 VanDerWaalsContact C-N 3.28Å; T31-E33 PolarHBondContact O-N 2.87Å; T31-E34 WeakPolarHBondContact CB-OE2 3.39Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.47Å; T31-E34 PolarHBondContact N-OE2 2.99Å; T31-E34 WeakPolarHBondContact OG1-CB 3.17Å; T31-E34 WeakPolarHBondContact OG1-CG 3.47Å; T31-E34 PolarHBondContact OG1-N 2.93Å; T31-E34 PolarHBondContact OG1-OE2 2.95Å; T31-M35 VanDerWaalsContact O-CG 3.31Å; T31-M35 WeakPolarHBondContact O-CG 3.31Å; T31-M35 PolarHBondContact O-N 3.04Å
32A91.7Very high94.9Very high71 Ų7168.6 Ų68.659%0.58733%0.33SS*.Hα-helixtrans-62.4-38.8174.400000111.6M35 Y36A32-M35 WeakPolarHBondContact O-CB 3.25Å; A32-M35 PolarHBondContact O-N 3.42Å; A32-Y36 WeakPolarHBondContact O-CD2 3.44Å; A32-Y36 PolarHBondContact O-N 3.39Å
33E94.4Very high94.9Very high145 Ų14566.8 Ų66.868%0.67833%0.328SS*.Hα-helixtrans-60.1-51.5178.3-171.2175.5158.400111.4T31 M35 Y36 D37T31-E33 VanDerWaalsContact C-N 3.28Å; T31-E33 PolarHBondContact O-N 2.87Å; E33-M35 PolarHBondContact O-N 3.3Å; E33-Y36 PolarHBondContact O-N 3.22Å; E33-D37 PolarHBondContact O-N 2.81Å
34E94.5Very high94.9Very high70 Ų7070.6 Ų70.633%0.32735%0.353SS..Hα-helixtrans-58-36.8176.2-71.3167.9129.500112.4I30 T31 D37 I38I30-E34 HydrophobicContact CD1-CB 4.46Å; I30-E34 HydrophobicContact CG1-CB 3.92Å; T31-E34 WeakPolarHBondContact CB-OE2 3.39Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.47Å; T31-E34 PolarHBondContact N-OE2 2.99Å; T31-E34 WeakPolarHBondContact OG1-CB 3.17Å; T31-E34 WeakPolarHBondContact OG1-CG 3.47Å; T31-E34 PolarHBondContact OG1-N 2.93Å; T31-E34 PolarHBondContact OG1-OE2 2.95Å; E34-D37 PolarHBondContact O-N 3.01Å; E34-I38 WeakPolarHBondContact O-CB 3.42Å; E34-I38 WeakPolarHBondContact O-CD1 3.13Å; E34-I38 WeakPolarHBondContact O-CG1 3.22Å; E34-I38 PolarHBondContact O-N 2.97Å
35M94.9Very high94.9Very high1 Ų166 Ų661%0.00534%0.337CS..Hα-helixtrans-64.7-45174.8-67.8-71.7-68.700111.3L26 I30 T31 A32 E33 D37 F39 I48 A60 V62L26-M35 HydrophobicContact CD1-CE 3.98Å; L26-M35 HydrophobicContact CD1-SD 4.24Å; L26-M35 HydrophobicContact CD2-CE 4.33Å; L26-M35 HydrophobicContact CD2-SD 3.76Å; I30-M35 HydrophobicContact CD1-CG 4.13Å; I30-M35 HydrophobicContact CD1-SD 3.53Å; I30-M35 VanDerWaalsContact CD1-SD 3.53Å; I30-M35 HydrophobicContact CG1-CG 4.09Å; I30-M35 HydrophobicContact CG1-SD 4.08Å; I30-M35 HydrophobicContact CG2-CG 4.32Å; I30-M35 HydrophobicContact CG2-SD 4.11Å; T31-M35 VanDerWaalsContact O-CG 3.31Å; T31-M35 WeakPolarHBondContact O-CG 3.31Å; T31-M35 PolarHBondContact O-N 3.04Å; A32-M35 WeakPolarHBondContact O-CB 3.25Å; A32-M35 PolarHBondContact O-N 3.42Å; E33-M35 PolarHBondContact O-N 3.3Å; M35-D37 VanDerWaalsContact C-N 3.33Å; M35-F39 HydrophobicContact CE-CD2 3.92Å; M35-F39 HydrophobicContact CE-CE2 3.48Å; M35-F39 VanDerWaalsContact CE-CE2 3.48Å; M35-F39 HydrophobicContact CE-CZ 4.44Å; M35-F39 WeakPolarHBondContact O-CB 3.43Å; M35-F39 VanDerWaalsContact O-CD2 3.24Å; M35-F39 WeakPolarHBondContact O-CD2 3.41Å; M35-F39 PolarHBondContact O-N 3Å; M35-F39 HydrophobicContact SD-CD2 4.32Å; M35-F39 HydrophobicContact SD-CE2 3.83Å; M35-I48 HydrophobicContact CB-CD1 3.86Å; M35-I48 HydrophobicContact CB-CG2 4.48Å; M35-I48 HydrophobicContact CE-CG2 3.82Å; M35-A60 HydrophobicContact CE-CB 3.8Å; M35-V62 HydrophobicContact CE-CG2 4.17Å
36Y95.8Very high95Very high114 Ų11470.3 Ų70.345%0.44735%0.349SS..Hα-helixtrans-65.6-36.3176.4-82-75.9000112.2A32 E33 G40 I45 I48A32-Y36 WeakPolarHBondContact O-CD2 3.44Å; A32-Y36 PolarHBondContact O-N 3.39Å; E33-Y36 PolarHBondContact O-N 3.22Å; Y36-G40 WeakPolarHBondContact O-CA 3.29Å; Y36-G40 PolarHBondContact O-N 3.36Å; Y36-I45 HydrophobicContact CD1-CB 4.18Å; Y36-I45 HydrophobicContact CD1-CG1 4.29Å; Y36-I45 HydrophobicContact CD1-CG2 4.32Å; Y36-I45 HydrophobicContact CE1-CB 3.89Å; Y36-I45 HydrophobicContact CE1-CG1 4.48Å; Y36-I45 HydrophobicContact CE1-CG2 3.74Å; Y36-I48 HydrophobicContact CD1-CD1 4.11Å; Y36-I48 HydrophobicContact CD2-CD1 4.31Å; Y36-I48 HydrophobicContact CE1-CD1 4.12Å; Y36-I48 HydrophobicContact CE1-CG1 4.32Å; Y36-I48 HydrophobicContact CE2-CD1 4.3Å; Y36-I48 HydrophobicContact CG-CD1 4.2Å
37D95.3Very high95.1Very high109 Ų10973.7 Ų73.758%0.58337%0.365SS*.Hα-helixtrans-65.8-45.7177.1-72.5-18.9000112.2E33 E34 M35E33-D37 PolarHBondContact O-N 2.81Å; E34-D37 PolarHBondContact O-N 3.01Å; M35-D37 VanDerWaalsContact C-N 3.33Å
38I95.4Very high95.2Very high26 Ų2674.5 Ų74.513%0.13337%0.369CS..Hα-helixtrans-69-51.7-178.7-66.4165.1000110.8I30 E34 L77 F80 V82I30-I38 HydrophobicContact CD1-CD1 4.29Å; E34-I38 WeakPolarHBondContact O-CB 3.42Å; E34-I38 WeakPolarHBondContact O-CD1 3.13Å; E34-I38 WeakPolarHBondContact O-CG1 3.22Å; E34-I38 PolarHBondContact O-N 2.97Å; I38-L77 HydrophobicContact CG2-CD1 4.13Å; I38-L77 HydrophobicContact CG2-CD2 3.76Å; I38-F80 HydrophobicContact CD1-CE1 4.22Å; I38-F80 HydrophobicContact CG1-CE1 4.13Å; I38-F80 HydrophobicContact CG2-CD1 4.12Å; I38-F80 HydrophobicContact CG2-CE1 4.02Å; I38-V82 HydrophobicContact CD1-CG1 4.21Å; I38-V82 HydrophobicContact CD1-CG2 3.86Å
39F96.7Very high95.4Very high0 Ų075.9 Ų75.90%037%0.373CS..Hα-helixtrans-82.6-34.2-173.2-70-75.9000112.3I23 M35 K41 Y42 I45 V62 Y64 L77 L87I23-F39 HydrophobicContact CB-CZ 4.47Å; I23-F39 HydrophobicContact CD1-CE1 3.49Å; I23-F39 VanDerWaalsContact CD1-CE1 3.49Å; I23-F39 HydrophobicContact CD1-CZ 3.6Å; I23-F39 HydrophobicContact CG1-CE1 4.03Å; I23-F39 HydrophobicContact CG1-CE2 4.44Å; I23-F39 HydrophobicContact CG1-CZ 3.64Å; I23-F39 HydrophobicContact CG2-CZ 4.04Å; M35-F39 HydrophobicContact CE-CD2 3.92Å; M35-F39 HydrophobicContact CE-CE2 3.48Å; M35-F39 VanDerWaalsContact CE-CE2 3.48Å; M35-F39 HydrophobicContact CE-CZ 4.44Å; M35-F39 WeakPolarHBondContact O-CB 3.43Å; M35-F39 VanDerWaalsContact O-CD2 3.24Å; M35-F39 WeakPolarHBondContact O-CD2 3.41Å; M35-F39 PolarHBondContact O-N 3Å; M35-F39 HydrophobicContact SD-CD2 4.32Å; M35-F39 HydrophobicContact SD-CE2 3.83Å; F39-K41 PolarHBondContact O-N 3.35Å; F39-Y42 PolarHBondContact O-N 3.03Å; F39-I45 HydrophobicContact CB-CD1 3.95Å; F39-V62 HydrophobicContact CB-CG1 3.96Å; F39-V62 HydrophobicContact CD1-CB 4.37Å; F39-V62 HydrophobicContact CD1-CG1 4.03Å; F39-V62 HydrophobicContact CD1-CG2 4.02Å; F39-V62 HydrophobicContact CD2-CG2 3.89Å; F39-V62 HydrophobicContact CE1-CG2 4.1Å; F39-V62 HydrophobicContact CE2-CG2 4Å; F39-V62 HydrophobicContact CG-CB 4.5Å; F39-V62 HydrophobicContact CG-CG1 3.95Å; F39-V62 HydrophobicContact CG-CG2 3.94Å; F39-V62 HydrophobicContact CZ-CG2 4.11Å; F39-Y64 WeakPolarHBondContact CA-OH 3.39Å; F39-Y64 WeakPolarHBondContact CB-OH 3.32Å; F39-Y64 WeakPolarHBondContact O-CE1 3.38Å; F39-Y64 PolarHBondContact O-OH 2.81Å; F39-L77 HydrophobicContact CD1-CD1 3.42Å; F39-L77 VanDerWaalsContact CD1-CD1 3.42Å; F39-L77 HydrophobicContact CE1-CD1 3.48Å; F39-L77 VanDerWaalsContact CE1-CD1 3.48Å; F39-L77 HydrophobicContact CG-CD1 4.3Å; F39-L77 HydrophobicContact CZ-CD1 4.38Å; F39-L87 HydrophobicContact CZ-CD1 4.41Å
40G96.4Very high95.5Very high31 Ų3170.4 Ų70.432%0.3236%0.355SS..Hα-helixtrans-65.8-20-179.200000114.2Y36 Y42 G43Y36-G40 WeakPolarHBondContact O-CA 3.29Å; Y36-G40 PolarHBondContact O-N 3.36Å; G40-Y42 PolarHBondContact O-N 3.34Å; G40-Y42 VanDerWaalsContact O-N 3.1Å; G40-G43 PolarHBondContact O-N 2.88Å
41K95.8Very high95.6Very high173 Ų17369.9 Ų69.975%0.75236%0.357SS*.THydrogen-bonded Turntrans-56.3-26.1174.4-174.6175.8179.4179.90113.8F39F39-K41 PolarHBondContact O-N 3.35Å
42Y96.6Very high95.6Very high39 Ų3973.8 Ų73.815%0.15338%0.375CS..THydrogen-bonded Turntrans-94.9-14-175.8-62.5-86000113.9F39 G40 D69 N72 A73 H76 L77F39-Y42 PolarHBondContact O-N 3.03Å; G40-Y42 PolarHBondContact O-N 3.34Å; G40-Y42 VanDerWaalsContact O-N 3.1Å; Y42-D69 WeakPolarHBondContact O-CB 3.26Å; Y42-N72 HydrophobicContact CD1-CB 4.25Å; Y42-A73 HydrophobicContact CD1-CB 4.26Å; Y42-A73 HydrophobicContact CD2-CB 3.86Å; Y42-A73 HydrophobicContact CG-CB 3.69Å; Y42-H76 HydrophobicContact CE1-CB 3.6Å; Y42-H76 AromaticContact CE1-CG 3.97Å; Y42-H76 VanDerWaalsContact OH-CB 3.22Å; Y42-H76 WeakPolarHBondContact OH-CB 3.36Å; Y42-L77 HydrophobicContact CD2-CD1 3.94Å; Y42-L77 HydrophobicContact CD2-CG 4.3Å; Y42-L77 HydrophobicContact CE2-CD1 3.55Å; Y42-L77 HydrophobicContact CE2-CD2 3.71Å; Y42-L77 HydrophobicContact CE2-CG 3.46Å; Y42-L77 VanDerWaalsContact CE2-CG 3.46Å
43G95.8Very high95.6Very high16 Ų1672.8 Ų72.817%0.16536%0.362CS..SBendtrans155.2173.8-178.300000113.2G40 I45G40-G43 PolarHBondContact O-N 2.88Å; G43-I45 PolarHBondContact O-N 2.99Å
44P97.2Very high95.6Very high81 Ų8171.3 Ų71.353%0.52637%0.365SS..  trans-62.5131.118024.5-33.1000112.2E65P44-E65 HydrophobicContact CB-CB 4.47Å; P44-E65 HydrophobicContact CB-CG 4.03Å; P44-E65 HydrophobicContact CG-CB 4.07Å; P44-E65 HydrophobicContact CG-CG 4.16Å; P44-E65 PolarHBondContact O-N 2.74Å
45I97.5Very high95.4Very high30 Ų3074 Ų7415%0.15438%0.377CS..EExtended strand (participates in β ladder)trans-93.7120.7-179.6-57.8-62.7000109.7Y36 F39 G43 I48 V62 Y64Y36-I45 HydrophobicContact CD1-CB 4.18Å; Y36-I45 HydrophobicContact CD1-CG1 4.29Å; Y36-I45 HydrophobicContact CD1-CG2 4.32Å; Y36-I45 HydrophobicContact CE1-CB 3.89Å; Y36-I45 HydrophobicContact CE1-CG1 4.48Å; Y36-I45 HydrophobicContact CE1-CG2 3.74Å; F39-I45 HydrophobicContact CB-CD1 3.95Å; G43-I45 PolarHBondContact O-N 2.99Å; I45-I48 HydrophobicContact CG2-CD1 4.05Å; I45-I48 HydrophobicContact CG2-CG1 3.55Å; I45-V62 HydrophobicContact CD1-CG1 3.89Å; I45-Y64 HydrophobicContact CD1-CD1 3.67Å; I45-Y64 HydrophobicContact CD1-CD2 4.4Å; I45-Y64 HydrophobicContact CD1-CE1 3.32Å; I45-Y64 HydrophobicContact CD1-CE2 4.1Å; I45-Y64 HydrophobicContact CD1-CG 4.2Å
46R97.4Very high95.3Very high149 Ų14976.3 Ų76.356%0.56239%0.391SS*.EExtended strand (participates in β ladder)trans-73.2-41174.6177.466.3-176.986.7-6.7112V63 E65R46-V63 WeakPolarHBondContact CA-O 3.18Å; R46-V63 HydrophobicContact CB-CB 4.11Å; R46-V63 HydrophobicContact CB-CG1 3.86Å; R46-V63 WeakPolarHBondContact CB-O 3.39Å; R46-V63 HydrophobicContact CG-CG1 4.03Å; R46-V63 PolarHBondContact N-O 3.13Å; R46-E65 HydrophobicContact CB-CG 4.24Å; R46-E65 WeakPolarHBondContact CD-OE1 3.46Å
47Q96.8Very high95.2Very high72 Ų7277.4 Ų77.434%0.33640%0.395SS..EExtended strand (participates in β ladder)trans-167.5144.4-178.5-169.6169.334.100112R49 V63Q47-R49 HydrophobicContact CG-CG 4.15Å; Q47-R49 VanDerWaalsContact NE2-NE 3.11Å; Q47-V63 HydrophobicContact CB-CB 4.25Å; Q47-V63 HydrophobicContact CB-CG2 4.23Å; Q47-V63 PolarHBondContact N-O 2.9Å; Q47-V63 PolarHBondContact O-N 3.39Å
48I96.9Very high95.1Very high28 Ų2872.6 Ų72.614%0.14437%0.371CS..EExtended strand (participates in β ladder)trans-119.5134.8164.4-53.3-174.1000109M35 Y36 I45 V50 Y61 V62M35-I48 HydrophobicContact CB-CD1 3.86Å; M35-I48 HydrophobicContact CB-CG2 4.48Å; M35-I48 HydrophobicContact CE-CG2 3.82Å; Y36-I48 HydrophobicContact CD1-CD1 4.11Å; Y36-I48 HydrophobicContact CD2-CD1 4.31Å; Y36-I48 HydrophobicContact CE1-CD1 4.12Å; Y36-I48 HydrophobicContact CE1-CG1 4.32Å; Y36-I48 HydrophobicContact CE2-CD1 4.3Å; Y36-I48 HydrophobicContact CG-CD1 4.2Å; I45-I48 HydrophobicContact CG2-CD1 4.05Å; I45-I48 HydrophobicContact CG2-CG1 3.55Å; I48-V50 HydrophobicContact CG2-CG2 4.3Å; I48-Y61 CarbonylContact C-O 3.59Å; I48-Y61 WeakPolarHBondContact CA-O 3.38Å; I48-V62 HydrophobicContact CG1-CG1 4.38Å; I48-V62 HydrophobicContact CG1-CG2 4.47Å; I48-V62 HydrophobicContact CG2-CG2 4.26Å
49R95.7Very high95.2Very high154 Ų15472.4 Ų72.458%0.58137%0.371SS*.EExtended strand (participates in β ladder)trans-127.6114.9172.3-62.5-173.7-171.1-174.83.9109.7Q47 A60 Y61Q47-R49 HydrophobicContact CG-CG 4.15Å; Q47-R49 VanDerWaalsContact NE2-NE 3.11Å; R49-A60 CarbonylContact O-C 3.59Å; R49-A60 WeakPolarHBondContact O-CA 3.13Å; R49-A60 WeakPolarHBondContact O-CB 3.32Å; R49-Y61 PolarHBondContact N-O 3.49Å; R49-Y61 PolarHBondContact O-N 3.25Å
50V95.6Very high95.2Very high75 Ų7572.4 Ų72.446%0.45537%0.371SS..EExtended strand (participates in β ladder)trans-91.6138.7177.1-174.70000109.4I48 N52 A60I48-V50 HydrophobicContact CG2-CG2 4.3Å; V50-N52 PolarHBondContact O-N 3.19Å; V50-A60 HydrophobicContact CG2-CB 4.35Å
51G94.2Very high95.3Very high16 Ų1674.3 Ų74.317%0.16537%0.369CS..  trans-66.5124.317500000111.5T56 T59G51-T56 WeakPolarHBondContact CA-OG1 3.5Å; G51-T59 PolarHBondContact N-O 3.11Å
52N92.6Very high95.4Very high149 Ų14966.1 Ų66.180%0.79733%0.333SS*.  trans-111.5-3.5-172.963.8-11.1000113.9V50 T56V50-N52 PolarHBondContact O-N 3.19Å; N52-T56 PolarHBondContact N-OG1 3.14Å
53T93.3Very high95.4Very high51 Ų5165.6 Ų65.631%0.31333%0.334SS..SBendtrans-98.4159.5176.278.90000110.9E55 T56 R57T53-E55 WeakPolarHBondContact CB-OE2 3.41Å; T53-E55 PolarHBondContact O-N 3.11Å; T53-E55 VanDerWaalsContact O-N 3.12Å; T53-E55 PolarHBondContact OG1-N 3.41Å; T53-E55 PolarHBondContact OG1-OE2 3.15Å; T53-T56 PolarHBondContact N-OG1 3.33Å; T53-T56 VanDerWaalsContact N-OG1 3.1Å; T53-T56 CarbonylContact O-C 3.58Å; T53-T56 PolarHBondContact O-N 3.3Å; T53-T56 PolarHBondContact O-OG1 2.99Å; T53-T56 PolarHBondContact OG1-N 3.17Å; T53-T56 PolarHBondContact OG1-OG1 2.8Å; T53-R57 WeakPolarHBondContact O-CB 3.14Å; T53-R57 PolarHBondContact O-N 3.41Å
54P92.6Very high95.6Very high114 Ų11464.9 Ų64.974%0.7433%0.326SS*.THydrogen-bonded Turntrans-52.3-34.4175.5-27.136.2000113.8
55E91.2Very high95.5Very high127 Ų12765.2 Ų65.259%0.59332%0.321SS*.THydrogen-bonded Turntrans-80.6-15.5-177.6-50.471.4-152.900113.6T53 K100T53-E55 WeakPolarHBondContact CB-OE2 3.41Å; T53-E55 PolarHBondContact O-N 3.11Å; T53-E55 VanDerWaalsContact O-N 3.12Å; T53-E55 PolarHBondContact OG1-N 3.41Å; T53-E55 PolarHBondContact OG1-OE2 3.15Å; E55-K100 PolarHBondContact O-NZ 3.15Å
56T93.3Very high95.4Very high48 Ų4866 Ų6629%0.29433%0.326SS..THydrogen-bonded Turntrans-119.2-9.5-175.858.20000113.1G51 N52 T53 G58 T59G51-T56 WeakPolarHBondContact CA-OG1 3.5Å; N52-T56 PolarHBondContact N-OG1 3.14Å; T53-T56 PolarHBondContact N-OG1 3.33Å; T53-T56 VanDerWaalsContact N-OG1 3.1Å; T53-T56 CarbonylContact O-C 3.58Å; T53-T56 PolarHBondContact O-N 3.3Å; T53-T56 PolarHBondContact O-OG1 2.99Å; T53-T56 PolarHBondContact OG1-N 3.17Å; T53-T56 PolarHBondContact OG1-OG1 2.8Å; T56-G58 PolarHBondContact O-N 3.3Å; T56-T59 WeakPolarHBondContact O-CB 3.13Å; T56-T59 PolarHBondContact O-N 3.38Å; T56-T59 PolarHBondContact O-OG1 3.15Å
57R93Very high95.3Very high138 Ų13861.5 Ų61.552%0.52131%0.312SS..THydrogen-bonded Turntrans-57.3133.8178.9-164.4-179.9-176.7-179.61.2111.1Y28 T53 T59Y28-R57 HydrophobicContact CD1-CG 3.75Å; Y28-R57 HydrophobicContact CE1-CB 4.5Å; Y28-R57 HydrophobicContact CE1-CG 4.04Å; Y28-R57 HydrophobicContact CG-CG 4.27Å; T53-R57 WeakPolarHBondContact O-CB 3.14Å; T53-R57 PolarHBondContact O-N 3.41Å; R57-T59 VanDerWaalsContact C-N 3.33Å
58G94.5Very high95.2Very high8 Ų860.1 Ų60.18%0.08231%0.305CS..THydrogen-bonded Turntrans8113.5-174.300000114R24 N25 L26 T56R24-G58 CarbonylContact C-O 3.53Å; N25-G58 PolarHBondContact N-O 2.86Å; N25-G58 VanDerWaalsContact N-O 3.1Å; L26-G58 PolarHBondContact N-O 2.97Å; T56-G58 PolarHBondContact O-N 3.3Å
59T96.5Very high95.2Very high21 Ų2159.8 Ų59.813%0.12930%0.304CS..EExtended strand (participates in β ladder)trans-123.3154.9169.8750000110.7Y22 I23 R24 G51 T56 R57Y22-T59 HydrophobicContact CE2-CG2 4.28Å; Y22-T59 WeakPolarHBondContact OH-CG2 3.19Å; I23-T59 CarbonylContact O-C 3.49Å; I23-T59 WeakPolarHBondContact O-CA 3.13Å; I23-T59 WeakPolarHBondContact O-CB 3.39Å; R24-T59 HydrophobicContact CG-CG2 4.42Å; G51-T59 PolarHBondContact N-O 3.11Å; T56-T59 WeakPolarHBondContact O-CB 3.13Å; T56-T59 PolarHBondContact O-N 3.38Å; T56-T59 PolarHBondContact O-OG1 3.15Å; R57-T59 VanDerWaalsContact C-N 3.33Å
60A97Very high95.2Very high1 Ų152.5 Ų52.51%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-148.9158.6173.900000111.1I23 L26 M35 R49 V50I23-A60 HydrophobicContact CB-CB 4.37Å; I23-A60 HydrophobicContact CG1-CB 4.46Å; I23-A60 PolarHBondContact N-O 2.63Å; I23-A60 PolarHBondContact O-N 3.36Å; L26-A60 HydrophobicContact CD1-CB 3.4Å; L26-A60 VanDerWaalsContact CD1-CB 3.4Å; M35-A60 HydrophobicContact CE-CB 3.8Å; R49-A60 CarbonylContact O-C 3.59Å; R49-A60 WeakPolarHBondContact O-CA 3.13Å; R49-A60 WeakPolarHBondContact O-CB 3.32Å; V50-A60 HydrophobicContact CG2-CB 4.35Å
61Y97.4Very high95.2Very high71 Ų7152 Ų5228%0.27827%0.268SS..EExtended strand (participates in β ladder)trans-108.8126.5163.2-68.2-71.4000109.5I20 L21 Y22 I48 R49 Y92I20-Y61 HydrophobicContact CG2-CD1 4.03Å; L21-Y61 VanDerWaalsContact O-CA 3.31Å; L21-Y61 WeakPolarHBondContact O-CA 3.44Å; Y22-Y61 AromaticContact CD2-CD1 3.89Å; Y22-Y61 HydrophobicContact CD2-CD1 3.89Å; Y22-Y61 AromaticContact CD2-CE1 3.37Å; Y22-Y61 HydrophobicContact CD2-CE1 3.37Å; Y22-Y61 HydrophobicContact CD2-CE2 4.39Å; Y22-Y61 AromaticContact CD2-CZ 3.67Å; Y22-Y61 HydrophobicContact CE2-CE1 4.22Å; Y22-Y61 HydrophobicContact CG-CD1 4.48Å; Y22-Y61 AromaticContact CG-CE1 3.9Å; Y22-Y61 HydrophobicContact CG-CE1 3.9Å; I48-Y61 CarbonylContact C-O 3.59Å; I48-Y61 WeakPolarHBondContact CA-O 3.38Å; R49-Y61 PolarHBondContact N-O 3.49Å; R49-Y61 PolarHBondContact O-N 3.25Å; Y61-Y92 HydrophobicContact CD1-CD2 4.11Å; Y61-Y92 AromaticContact CE1-CD2 3.68Å; Y61-Y92 HydrophobicContact CE1-CD2 3.68Å; Y61-Y92 HydrophobicContact CE1-CE2 4.15Å
62V97.7Very high95.3Very high0 Ų054.4 Ų54.40%028%0.277CS..EExtended strand (participates in β ladder)trans-113.9123.6176179.20000107.7I20 L21 I23 M35 F39 I45 I48 Y64I20-V62 CarbonylContact C-O 3.56Å; I20-V62 WeakPolarHBondContact CA-O 3.32Å; L21-V62 HydrophobicContact CB-CB 4.49Å; L21-V62 PolarHBondContact N-O 3.34Å; L21-V62 PolarHBondContact O-N 3.44Å; I23-V62 HydrophobicContact CD1-CG2 4.31Å; I23-V62 HydrophobicContact CG1-CG2 3.84Å; M35-V62 HydrophobicContact CE-CG2 4.17Å; F39-V62 HydrophobicContact CB-CG1 3.96Å; F39-V62 HydrophobicContact CD1-CB 4.37Å; F39-V62 HydrophobicContact CD1-CG1 4.03Å; F39-V62 HydrophobicContact CD1-CG2 4.02Å; F39-V62 HydrophobicContact CD2-CG2 3.89Å; F39-V62 HydrophobicContact CE1-CG2 4.1Å; F39-V62 HydrophobicContact CE2-CG2 4Å; F39-V62 HydrophobicContact CG-CB 4.5Å; F39-V62 HydrophobicContact CG-CG1 3.95Å; F39-V62 HydrophobicContact CG-CG2 3.94Å; F39-V62 HydrophobicContact CZ-CG2 4.11Å; I45-V62 HydrophobicContact CD1-CG1 3.89Å; I48-V62 HydrophobicContact CG1-CG1 4.38Å; I48-V62 HydrophobicContact CG1-CG2 4.47Å; I48-V62 HydrophobicContact CG2-CG2 4.26Å; V62-Y64 HydrophobicContact CG1-CD2 4.18Å; V62-Y64 HydrophobicContact CG1-CE2 3.69Å
63V97.9Very high95.6Very high29 Ų2947.3 Ų47.318%0.17624%0.239CC..EExtended strand (participates in β ladder)trans-110.8118.2-179.4-169.90000108.1I20 R46 Q47I20-V63 HydrophobicContact CG1-CG1 4.12Å; I20-V63 HydrophobicContact CG1-CG2 4.12Å; I20-V63 HydrophobicContact CG2-CG2 4.28Å; R46-V63 WeakPolarHBondContact CA-O 3.18Å; R46-V63 HydrophobicContact CB-CB 4.11Å; R46-V63 HydrophobicContact CB-CG1 3.86Å; R46-V63 WeakPolarHBondContact CB-O 3.39Å; R46-V63 HydrophobicContact CG-CG1 4.03Å; R46-V63 PolarHBondContact N-O 3.13Å; Q47-V63 HydrophobicContact CB-CB 4.25Å; Q47-V63 HydrophobicContact CB-CG2 4.23Å; Q47-V63 PolarHBondContact N-O 2.9Å; Q47-V63 PolarHBondContact O-N 3.39Å
64Y98.3Very high95.7Very high0 Ų045.3 Ų45.30%023%0.227CC..EExtended strand (participates in β ladder)trans-88.1154.6170.3-72.1-95.3000110.9R19 L21 F39 I45 V62 D66 D69 A70 A73R19-Y64 PolarHBondContact O-N 2.99Å; L21-Y64 HydrophobicContact CD1-CD2 4.37Å; L21-Y64 HydrophobicContact CD1-CE2 3.76Å; L21-Y64 HydrophobicContact CG-CD2 4.5Å; L21-Y64 HydrophobicContact CG-CE2 4.31Å; F39-Y64 WeakPolarHBondContact CA-OH 3.39Å; F39-Y64 WeakPolarHBondContact CB-OH 3.32Å; F39-Y64 WeakPolarHBondContact O-CE1 3.38Å; F39-Y64 PolarHBondContact O-OH 2.81Å; I45-Y64 HydrophobicContact CD1-CD1 3.67Å; I45-Y64 HydrophobicContact CD1-CD2 4.4Å; I45-Y64 HydrophobicContact CD1-CE1 3.32Å; I45-Y64 HydrophobicContact CD1-CE2 4.1Å; I45-Y64 HydrophobicContact CD1-CG 4.2Å; V62-Y64 HydrophobicContact CG1-CD2 4.18Å; V62-Y64 HydrophobicContact CG1-CE2 3.69Å; Y64-D66 WeakPolarHBondContact CB-O 3.41Å; Y64-D69 HydrophobicContact CD1-CB 3.95Å; Y64-A70 HydrophobicContact CD2-CB 3.69Å; Y64-A70 HydrophobicContact CE2-CB 4.49Å; Y64-A70 HydrophobicContact CG-CB 4.02Å; Y64-A73 HydrophobicContact CE1-CB 4.38Å; Y64-A73 HydrophobicContact CE2-CB 3.83Å; Y64-A73 WeakPolarHBondContact OH-CB 3.29Å
65E96.7Very high95.8Very high89 Ų8944.1 Ų44.142%0.41621%0.214SC..SBendtrans-68.1-41.3170.5-65.3-70175.900111.3R19 P44 R46R19-E65 WeakPolarHBondContact CD-O 3.36Å; R19-E65 PolarHBondContact NH1-O 3.5Å; R19-E65 VanDerWaalsContact NH1-O 3.13Å; P44-E65 HydrophobicContact CB-CB 4.47Å; P44-E65 HydrophobicContact CB-CG 4.03Å; P44-E65 HydrophobicContact CG-CB 4.07Å; P44-E65 HydrophobicContact CG-CG 4.16Å; P44-E65 PolarHBondContact O-N 2.74Å; R46-E65 HydrophobicContact CB-CG 4.24Å; R46-E65 WeakPolarHBondContact CD-OE1 3.46Å
66D94.9Very high96Very high47 Ų4743.6 Ų43.625%0.25121%0.212SC..SBendtrans-109.7141.5-176-172-68.8000112R8 Y64 F68 D69 A70R8-D66 IonicContact CZ-OD1 2.9Å; R8-D66 VanDerWaalsContact NH1-CG 3.26Å; R8-D66 IonicContact NH1-OD1 3.86Å; R8-D66 PolarHBondContact NH1-OD1 3.29Å; R8-D66 IonicContact NH1-OD2 3.91Å; R8-D66 PolarHBondContact NH1-OD2 3.49Å; Y64-D66 WeakPolarHBondContact CB-O 3.41Å; D66-F68 WeakPolarHBondContact OD1-CA 3.44Å; D66-F68 VanDerWaalsContact OD1-CB 3.26Å; D66-F68 WeakPolarHBondContact OD1-CB 3.43Å; D66-F68 VanDerWaalsContact OD1-CD2 3.29Å; D66-F68 WeakPolarHBondContact OD1-CD2 3.13Å; D66-F68 PolarHBondContact OD1-N 2.7Å; D66-D69 HydrophobicContact CB-CB 4.25Å; D66-D69 PolarHBondContact OD1-N 3.43Å; D66-A70 PolarHBondContact O-N 2.96Å
67I94.6Very high96.1Very high54 Ų5441.4 Ų41.428%0.27720%0.198SC..Hα-helixtrans-74.1-32-177.1-168.4169.3000113.4L13 V17 R19 D69 K71L13-I67 HydrophobicContact CD1-CB 4.36Å; L13-I67 HydrophobicContact CD1-CD1 3.78Å; L13-I67 HydrophobicContact CD1-CG1 3.85Å; L13-I67 HydrophobicContact CD1-CG2 3.64Å; V17-I67 HydrophobicContact CG1-CD1 4.09Å; V17-I67 HydrophobicContact CG1-CG1 3.74Å; R19-I67 HydrophobicContact CG-CB 3.76Å; R19-I67 HydrophobicContact CG-CG1 4.25Å; I67-D69 VanDerWaalsContact C-N 3.32Å; I67-K71 PolarHBondContact O-N 2.91Å
68F95.1Very high96.2Very high43 Ų4337.8 Ų37.819%0.18919%0.194CC..Hα-helixtrans-70.9-33.2176.9-60.4-77.1000111R8 I11 L13 D66 K71 N72R8-F68 HydrophobicContact CB-CD2 4.43Å; R8-F68 HydrophobicContact CB-CE2 3.89Å; R8-F68 HydrophobicContact CB-CZ 4.04Å; R8-F68 HydrophobicContact CG-CD2 4.15Å; R8-F68 HydrophobicContact CG-CE2 4.12Å; R8-F68 HydrophobicContact CG-CG 4.47Å; R8-F68 HydrophobicContact CG-CZ 4.41Å; I11-F68 HydrophobicContact CB-CE1 4.14Å; I11-F68 HydrophobicContact CG2-CE1 4.32Å; L13-F68 HydrophobicContact CD1-CD1 4.11Å; L13-F68 HydrophobicContact CD1-CE1 3.77Å; L13-F68 HydrophobicContact CD1-CZ 4.15Å; L13-F68 HydrophobicContact CD2-CD1 4.09Å; L13-F68 HydrophobicContact CD2-CE1 3.98Å; L13-F68 HydrophobicContact CG-CD1 4.44Å; L13-F68 HydrophobicContact CG-CE1 3.94Å; D66-F68 WeakPolarHBondContact OD1-CA 3.44Å; D66-F68 VanDerWaalsContact OD1-CB 3.26Å; D66-F68 WeakPolarHBondContact OD1-CB 3.43Å; D66-F68 VanDerWaalsContact OD1-CD2 3.29Å; D66-F68 WeakPolarHBondContact OD1-CD2 3.13Å; D66-F68 PolarHBondContact OD1-N 2.7Å; F68-K71 PolarHBondContact O-N 3.27Å; F68-N72 WeakPolarHBondContact O-CB 3.34Å; F68-N72 PolarHBondContact O-N 3.45Å
69D96.6Very high96.2Very high21 Ų2139.5 Ų39.511%0.11221%0.212CC..Hα-helixtrans-69.3-42.9176.6-61.8-2.2000110.4R8 Y42 Y64 D66 I67 K71 N72 A73R8-D69 IonicContact CZ-OD1 2.8Å; R8-D69 IonicContact NH1-OD1 3.89Å; R8-D69 IonicContact NH2-OD1 2.91Å; R8-D69 PolarHBondContact NH2-OD1 3.43Å; Y42-D69 WeakPolarHBondContact O-CB 3.26Å; Y64-D69 HydrophobicContact CD1-CB 3.95Å; D66-D69 HydrophobicContact CB-CB 4.25Å; D66-D69 PolarHBondContact OD1-N 3.43Å; I67-D69 VanDerWaalsContact C-N 3.32Å; D69-K71 VanDerWaalsContact C-N 3.34Å; D69-K71 PolarHBondContact O-N 2.88Å; D69-N72 PolarHBondContact O-N 3.37Å; D69-A73 WeakPolarHBondContact O-CB 3.17Å; D69-A73 PolarHBondContact O-N 3.43Å
70A96.8Very high96.1Very high0 Ų042.7 Ų42.70%022%0.224CC..Hα-helixtrans-60.5-41.4171.300000112.5N18 L21 Y64 D66 A73 C74N18-A70 VanDerWaalsContact O-CB 3.32Å; N18-A70 WeakPolarHBondContact O-CB 3.43Å; L21-A70 HydrophobicContact CD2-CB 4.3Å; L21-A70 HydrophobicContact CG-CB 4.43Å; Y64-A70 HydrophobicContact CD2-CB 3.69Å; Y64-A70 HydrophobicContact CE2-CB 4.49Å; Y64-A70 HydrophobicContact CG-CB 4.02Å; D66-A70 PolarHBondContact O-N 2.96Å; A70-A73 PolarHBondContact O-N 3.14Å; A70-C74 WeakPolarHBondContact O-CB 3.45Å; A70-C74 PolarHBondContact O-N 2.9Å
71K95.9Very high96Very high64 Ų6446 Ų4628%0.27824%0.242SC..Hα-helixtrans-60.2-49.8174.3176.6178-169.3-52.70111.3L13 V17 I67 F68 D69 A73 C74 D75 Y91L13-K71 HydrophobicContact CD2-CD 3.6Å; V17-K71 HydrophobicContact CG1-CB 4.04Å; I67-K71 PolarHBondContact O-N 2.91Å; F68-K71 PolarHBondContact O-N 3.27Å; D69-K71 VanDerWaalsContact C-N 3.34Å; D69-K71 PolarHBondContact O-N 2.88Å; K71-A73 VanDerWaalsContact C-N 3.28Å; K71-A73 PolarHBondContact O-N 3.38Å; K71-C74 PolarHBondContact O-N 2.8Å; K71-C74 VanDerWaalsContact O-N 3.14Å; K71-D75 IonicContact NZ-OD1 3.96Å; K71-D75 IonicContact NZ-OD2 3.36Å; K71-D75 PolarHBondContact NZ-OD2 2.93Å; K71-D75 VanDerWaalsContact O-CG 3.28Å; K71-D75 PolarHBondContact O-N 2.98Å; K71-Y91 VanDerWaalsContact CA-OH 3.32Å; K71-Y91 WeakPolarHBondContact CA-OH 3.18Å; K71-Y91 WeakPolarHBondContact CG-OH 3.47Å
72N95.9Very high95.7Very high67 Ų6743.2 Ų43.236%0.35823%0.232SC..Hα-helixtrans-59.8-41.9-179.5-166.124.6000111.3Y42 F68 D69 H76Y42-N72 HydrophobicContact CD1-CB 4.25Å; F68-N72 WeakPolarHBondContact O-CB 3.34Å; F68-N72 PolarHBondContact O-N 3.45Å; D69-N72 PolarHBondContact O-N 3.37Å; N72-H76 PolarHBondContact O-N 3.49Å; N72-H76 PolarHBondContact O-ND1 2.7Å; N72-H76 PolarHBondContact OD1-CE1 2.99Å; N72-H76 PolarHBondContact OD1-ND1 2.86Å
73A97.3Very high95.4Very high0 Ų047.4 Ų47.40%026%0.261CS..Hα-helixtrans-62.2-46173.800000112.1L21 Y42 Y64 D69 A70 K71 D75 H76 L77L21-A73 HydrophobicContact CD1-CB 3.88Å; Y42-A73 HydrophobicContact CD1-CB 4.26Å; Y42-A73 HydrophobicContact CD2-CB 3.86Å; Y42-A73 HydrophobicContact CG-CB 3.69Å; Y64-A73 HydrophobicContact CE1-CB 4.38Å; Y64-A73 HydrophobicContact CE2-CB 3.83Å; Y64-A73 WeakPolarHBondContact OH-CB 3.29Å; D69-A73 WeakPolarHBondContact O-CB 3.17Å; D69-A73 PolarHBondContact O-N 3.43Å; A70-A73 PolarHBondContact O-N 3.14Å; K71-A73 VanDerWaalsContact C-N 3.28Å; K71-A73 PolarHBondContact O-N 3.38Å; A73-D75 PolarHBondContact O-N 3.46Å; A73-H76 PolarHBondContact O-N 2.74Å; A73-L77 HydrophobicContact CB-CD1 4.24Å; A73-L77 WeakPolarHBondContact O-CB 3.14Å; A73-L77 WeakPolarHBondContact O-CG 3.2Å; A73-L77 PolarHBondContact O-N 3.36Å
74C96.4Very high95.1Very high10 Ų1053 Ų537%0.06829%0.29CS..Hα-helixtrans-60.5-44179-168.80000112.3L21 A70 K71 H76 S78 V89 Y91L21-C74 HydrophobicContact CD1-CB 4.4Å; L21-C74 HydrophobicContact CD2-CB 4.06Å; A70-C74 WeakPolarHBondContact O-CB 3.45Å; A70-C74 PolarHBondContact O-N 2.9Å; K71-C74 PolarHBondContact O-N 2.8Å; K71-C74 VanDerWaalsContact O-N 3.14Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 2.97Å; C74-S78 WeakPolarHBondContact O-CB 3.4Å; C74-S78 PolarHBondContact O-N 3.26Å; C74-S78 PolarHBondContact O-OG 3.12Å; C74-V89 HydrophobicContact CB-CG1 4.31Å; C74-Y91 HydrophobicContact CB-CE1 3.86Å; C74-Y91 HydrophobicContact CB-CE2 4.36Å
75D95Very high94.9Very high88 Ų8856.5 Ų56.547%0.47130%0.303SS..Hα-helixtrans-65.7-34.4-177.9-65.8-19.3000112.2K71 A73K71-D75 IonicContact NZ-OD1 3.96Å; K71-D75 IonicContact NZ-OD2 3.36Å; K71-D75 PolarHBondContact NZ-OD2 2.93Å; K71-D75 VanDerWaalsContact O-CG 3.28Å; K71-D75 PolarHBondContact O-N 2.98Å; A73-D75 PolarHBondContact O-N 3.46Å
76H95.4Very high94.8Very high116 Ų11659.2 Ų59.254%0.53731%0.31SS..Hα-helixtrans-101.9-25.6-173.9-65.491.1000114.9Y42 N72 A73 C74Y42-H76 HydrophobicContact CE1-CB 3.6Å; Y42-H76 AromaticContact CE1-CG 3.97Å; Y42-H76 VanDerWaalsContact OH-CB 3.22Å; Y42-H76 WeakPolarHBondContact OH-CB 3.36Å; N72-H76 PolarHBondContact O-N 3.49Å; N72-H76 PolarHBondContact O-ND1 2.7Å; N72-H76 PolarHBondContact OD1-CE1 2.99Å; N72-H76 PolarHBondContact OD1-ND1 2.86Å; A73-H76 PolarHBondContact O-N 2.74Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 2.97Å
77L95.9Very high94.9Very high2 Ų257 Ų571%0.0130%0.299CS..Hα-helixtrans-91.4-9.3-179.7-67.7175.7000113.3I38 F39 Y42 A73 G79 F80 V89I38-L77 HydrophobicContact CG2-CD1 4.13Å; I38-L77 HydrophobicContact CG2-CD2 3.76Å; F39-L77 HydrophobicContact CD1-CD1 3.42Å; F39-L77 VanDerWaalsContact CD1-CD1 3.42Å; F39-L77 HydrophobicContact CE1-CD1 3.48Å; F39-L77 VanDerWaalsContact CE1-CD1 3.48Å; F39-L77 HydrophobicContact CG-CD1 4.3Å; F39-L77 HydrophobicContact CZ-CD1 4.38Å; Y42-L77 HydrophobicContact CD2-CD1 3.94Å; Y42-L77 HydrophobicContact CD2-CG 4.3Å; Y42-L77 HydrophobicContact CE2-CD1 3.55Å; Y42-L77 HydrophobicContact CE2-CD2 3.71Å; Y42-L77 HydrophobicContact CE2-CG 3.46Å; Y42-L77 VanDerWaalsContact CE2-CG 3.46Å; A73-L77 HydrophobicContact CB-CD1 4.24Å; A73-L77 WeakPolarHBondContact O-CB 3.14Å; A73-L77 WeakPolarHBondContact O-CG 3.2Å; A73-L77 PolarHBondContact O-N 3.36Å; L77-G79 PolarHBondContact O-N 3.42Å; L77-G79 VanDerWaalsContact O-N 3.15Å; L77-F80 HydrophobicContact CB-CB 4.44Å; L77-F80 HydrophobicContact CD2-CB 4.02Å; L77-F80 HydrophobicContact CD2-CD1 4.11Å; L77-F80 HydrophobicContact CD2-CD2 4.17Å; L77-F80 HydrophobicContact CD2-CG 3.84Å; L77-F80 VanDerWaalsContact O-CB 3.24Å; L77-F80 WeakPolarHBondContact O-CB 3.43Å; L77-F80 PolarHBondContact O-N 3.47Å; L77-V89 HydrophobicContact CB-CG2 3.88Å; L77-V89 WeakPolarHBondContact O-CG2 3.41Å
78S94.1Very high95Very high63 Ų6357.3 Ų57.344%0.44130%0.302SS..THydrogen-bonded Turntrans-62.1115171.4-69.90000110C74 V89C74-S78 WeakPolarHBondContact O-CB 3.4Å; C74-S78 PolarHBondContact O-N 3.26Å; C74-S78 PolarHBondContact O-OG 3.12Å; S78-V89 PolarHBondContact OG-O 2.83Å
79G94.6Very high95.1Very high44 Ų4455.4 Ų55.445%0.45430%0.295SS..THydrogen-bonded Turntrans80.914.5-174.400000114.4L77 N81 Y86 L87L77-G79 PolarHBondContact O-N 3.42Å; L77-G79 VanDerWaalsContact O-N 3.15Å; G79-N81 PolarHBondContact O-N 2.82Å; G79-Y86 WeakPolarHBondContact O-CD1 2.98Å; G79-L87 WeakPolarHBondContact CA-O 3.49Å; G79-L87 PolarHBondContact N-O 3.1Å
80F94.8Very high95.1Very high87 Ų8756.9 Ų56.938%0.38230%0.302SS..  trans-66.2133.1175.5-173.1-110.2000111.1I38 L77 V82 Y86 L87I38-F80 HydrophobicContact CD1-CE1 4.22Å; I38-F80 HydrophobicContact CG1-CE1 4.13Å; I38-F80 HydrophobicContact CG2-CD1 4.12Å; I38-F80 HydrophobicContact CG2-CE1 4.02Å; L77-F80 HydrophobicContact CB-CB 4.44Å; L77-F80 HydrophobicContact CD2-CB 4.02Å; L77-F80 HydrophobicContact CD2-CD1 4.11Å; L77-F80 HydrophobicContact CD2-CD2 4.17Å; L77-F80 HydrophobicContact CD2-CG 3.84Å; L77-F80 VanDerWaalsContact O-CB 3.24Å; L77-F80 WeakPolarHBondContact O-CB 3.43Å; L77-F80 PolarHBondContact O-N 3.47Å; F80-V82 HydrophobicContact CD1-CG2 3.44Å; F80-V82 VanDerWaalsContact CD1-CG2 3.44Å; F80-V82 HydrophobicContact CE1-CG2 3.62Å; F80-Y86 CarbonylContact O-C 3.58Å; F80-Y86 WeakPolarHBondContact O-CA 3.39Å; F80-L87 HydrophobicContact CB-CD1 4.46Å; F80-L87 HydrophobicContact CD1-CD1 4.22Å; F80-L87 WeakPolarHBondContact O-CG 3.47Å; F80-L87 PolarHBondContact O-N 2.98Å
81N93.7Very high95.1Very high71 Ų7159 Ų5938%0.3831%0.311SS..EExtended strand (participates in β ladder)trans-87.6120.5-178.9-176.78.2000111G79 N84 R85 Y86G79-N81 PolarHBondContact O-N 2.82Å; N81-N84 WeakPolarHBondContact OD1-CA 3.43Å; N81-N84 PolarHBondContact OD1-N 3.32Å; N81-N84 VanDerWaalsContact OD1-N 3.16Å; N81-R85 WeakPolarHBondContact CA-O 3.47Å; N81-R85 PolarHBondContact OD1-N 3.43Å; N81-Y86 HydrophobicContact CB-CD1 4.2Å; N81-Y86 HydrophobicContact CB-CE1 4.01Å
82V91.8Very high95.1Very high13 Ų1357.8 Ų57.88%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-129.1119.9173-168.80000108.7P27 I30 I38 F80 N84 R85 L87P27-V82 HydrophobicContact CG-CB 4.04Å; P27-V82 HydrophobicContact CG-CG1 3.81Å; I30-V82 HydrophobicContact CD1-CG1 4.19Å; I38-V82 HydrophobicContact CD1-CG1 4.21Å; I38-V82 HydrophobicContact CD1-CG2 3.86Å; F80-V82 HydrophobicContact CD1-CG2 3.44Å; F80-V82 VanDerWaalsContact CD1-CG2 3.44Å; F80-V82 HydrophobicContact CE1-CG2 3.62Å; V82-N84 VanDerWaalsContact C-N 3.29Å; V82-N84 PolarHBondContact O-N 3.41Å; V82-R85 PolarHBondContact N-O 3.04Å; V82-R85 WeakPolarHBondContact O-CB 3.31Å; V82-R85 PolarHBondContact O-N 2.65Å; V82-L87 HydrophobicContact CG2-CD1 3.83Å; V82-L87 HydrophobicContact CG2-CD2 4.22Å; V82-L87 HydrophobicContact CG2-CG 3.94Å
83C91Very high94.9Very high88 Ų8856 Ų5660%0.59530%0.295SS*.THydrogen-bonded Turntrans50.145.2-179.6-52.90000113.5P27 R85P27-C83 HydrophobicContact CB-CB 4.26Å; P27-C83 HydrophobicContact CG-CB 3.95Å; C83-R85 VanDerWaalsContact C-N 3.25Å; C83-R85 PolarHBondContact O-N 3.03Å
84N92.5Very high94.7Very high147 Ų14756 Ų5679%0.78630%0.295SS*.THydrogen-bonded Turntrans62.926.3-176.8-56-38.7000114.2N81 V82N81-N84 WeakPolarHBondContact OD1-CA 3.43Å; N81-N84 PolarHBondContact OD1-N 3.32Å; N81-N84 VanDerWaalsContact OD1-N 3.16Å; V82-N84 VanDerWaalsContact C-N 3.29Å; V82-N84 PolarHBondContact O-N 3.41Å
85R93.8Very high94.4Very high73 Ų7357 Ų5728%0.27530%0.299SS..EExtended strand (participates in β ladder)trans-127.2130.9174.3-58.4-178.771.2139.82.9109.5N25 N81 V82 C83N25-R85 PolarHBondContact O-NE 2.89Å; N25-R85 PolarHBondContact OD1-NE 3.42Å; N25-R85 VanDerWaalsContact OD1-NE 3.1Å; N25-R85 PolarHBondContact OD1-NH2 2.9Å; N81-R85 WeakPolarHBondContact CA-O 3.47Å; N81-R85 PolarHBondContact OD1-N 3.43Å; V82-R85 PolarHBondContact N-O 3.04Å; V82-R85 WeakPolarHBondContact O-CB 3.31Å; V82-R85 PolarHBondContact O-N 2.65Å; C83-R85 VanDerWaalsContact C-N 3.25Å; C83-R85 PolarHBondContact O-N 3.03Å
86Y95.8Very high94.2Very high145 Ų14558.4 Ų58.457%0.56930%0.298SS*.EExtended strand (participates in β ladder)trans-88.4118.2179.4-62.8-88.7000110.2N25 G79 F80 N81N25-Y86 WeakPolarHBondContact CB-O 3.39Å; N25-Y86 PolarHBondContact ND2-O 2.87Å; G79-Y86 WeakPolarHBondContact O-CD1 2.98Å; F80-Y86 CarbonylContact O-C 3.58Å; F80-Y86 WeakPolarHBondContact O-CA 3.39Å; N81-Y86 HydrophobicContact CB-CD1 4.2Å; N81-Y86 HydrophobicContact CB-CE1 4.01Å
87L96.7Very high93.9Very high2 Ų254.4 Ų54.41%0.0129%0.285CS..  trans-67.1140.8-179.2-59.5-171.1000111.1I23 L26 F39 G79 F80 V82 V89I23-L87 HydrophobicContact CG2-CD1 4.49Å; L26-L87 HydrophobicContact CD2-CD1 4.3Å; L26-L87 HydrophobicContact CD2-CD2 3.64Å; L26-L87 HydrophobicContact CG-CD2 4.22Å; F39-L87 HydrophobicContact CZ-CD1 4.41Å; G79-L87 WeakPolarHBondContact CA-O 3.49Å; G79-L87 PolarHBondContact N-O 3.1Å; F80-L87 HydrophobicContact CB-CD1 4.46Å; F80-L87 HydrophobicContact CD1-CD1 4.22Å; F80-L87 WeakPolarHBondContact O-CG 3.47Å; F80-L87 PolarHBondContact O-N 2.98Å; V82-L87 HydrophobicContact CG2-CD1 3.83Å; V82-L87 HydrophobicContact CG2-CD2 4.22Å; V82-L87 HydrophobicContact CG2-CG 3.94Å; L87-V89 HydrophobicContact CB-CG2 4.32Å
88V96.7Very high93.7Very high59 Ų5956.2 Ų56.236%0.35829%0.293SS..EExtended strand (participates in β ladder)trans-106.1117.7167.2-179.40000107.2I23 R24 L90I23-V88 CarbonylContact C-O 3.56Å; I23-V88 WeakPolarHBondContact CA-O 3.39Å; R24-V88 HydrophobicContact CB-CB 4.14Å; R24-V88 PolarHBondContact N-O 2.82Å; R24-V88 PolarHBondContact O-N 3.42Å; V88-L90 HydrophobicContact CG1-CD1 4.29Å; V88-L90 HydrophobicContact CG1-CD2 4.23Å; V88-L90 HydrophobicContact CG1-CG 4.06Å
89V97Very high93.5Very high4 Ų458.9 Ų58.92%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-114.1122.2-177.6-175.20000108.1L21 I23 C74 L77 S78 L87L21-V89 HydrophobicContact CB-CG1 4.31Å; L21-V89 HydrophobicContact CD1-CG1 3.84Å; I23-V89 HydrophobicContact CD1-CB 4.3Å; I23-V89 HydrophobicContact CD1-CG1 3.74Å; I23-V89 HydrophobicContact CD1-CG2 4.05Å; C74-V89 HydrophobicContact CB-CG1 4.31Å; L77-V89 HydrophobicContact CB-CG2 3.88Å; L77-V89 WeakPolarHBondContact O-CG2 3.41Å; S78-V89 PolarHBondContact OG-O 2.83Å; L87-V89 HydrophobicContact CB-CG2 4.32Å
90L96Very high93.1Very high52 Ų5264 Ų6427%0.27231%0.309SS..EExtended strand (participates in β ladder)trans-129.8151.9-178.2-57.4173.9000109.3L21 Y22 V88L21-L90 CarbonylContact C-O 3.53Å; L21-L90 WeakPolarHBondContact CA-O 3.44Å; Y22-L90 HydrophobicContact CD1-CD1 4.39Å; Y22-L90 PolarHBondContact N-O 2.78Å; Y22-L90 PolarHBondContact O-N 3.02Å; V88-L90 HydrophobicContact CG1-CD1 4.29Å; V88-L90 HydrophobicContact CG1-CD2 4.23Å; V88-L90 HydrophobicContact CG1-CG 4.06Å
91Y96.6Very high92.9Very high45 Ų4563.8 Ų63.818%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-66.8145.9166.5-63.6-68000111.2E16 V17 N18 L21 K71 C74 N93E16-Y91 HydrophobicContact CG-CD2 4.35Å; E16-Y91 WeakPolarHBondContact O-CB 3.24Å; V17-Y91 HydrophobicContact CB-CE1 4.29Å; V17-Y91 HydrophobicContact CG1-CD1 4.48Å; V17-Y91 HydrophobicContact CG1-CE1 3.82Å; V17-Y91 HydrophobicContact CG2-CE1 4.44Å; V17-Y91 HydrophobicContact CG2-CE2 4.11Å; N18-Y91 HydrophobicContact CB-CD1 4.43Å; N18-Y91 VanDerWaalsContact N-CD1 3.32Å; L21-Y91 HydrophobicContact CD2-CD1 3.56Å; L21-Y91 HydrophobicContact CD2-CE1 3.81Å; K71-Y91 VanDerWaalsContact CA-OH 3.32Å; K71-Y91 WeakPolarHBondContact CA-OH 3.18Å; K71-Y91 WeakPolarHBondContact CG-OH 3.47Å; C74-Y91 HydrophobicContact CB-CE1 3.86Å; C74-Y91 HydrophobicContact CB-CE2 4.36Å; Y91-N93 PolarHBondContact O-N 2.84Å
92Y95.6Very high92.8Very high38 Ų3865.2 Ų65.215%0.14932%0.317CS..  trans-61.3131.9171.7175.4-91.7000110.8I20 Y61 A94 A97I20-Y92 HydrophobicContact CB-CG 4.1Å; I20-Y92 HydrophobicContact CD1-CD1 4.49Å; I20-Y92 HydrophobicContact CD1-CG 4.44Å; I20-Y92 HydrophobicContact CG2-CD2 4.02Å; I20-Y92 HydrophobicContact CG2-CG 4Å; I20-Y92 WeakPolarHBondContact O-CB 3.4Å; I20-Y92 PolarHBondContact O-N 2.93Å; Y61-Y92 HydrophobicContact CD1-CD2 4.11Å; Y61-Y92 AromaticContact CE1-CD2 3.68Å; Y61-Y92 HydrophobicContact CE1-CD2 3.68Å; Y61-Y92 HydrophobicContact CE1-CE2 4.15Å; Y92-A94 HydrophobicContact CE1-CB 3.96Å; Y92-A97 HydrophobicContact CD2-CB 4.5Å; Y92-A97 HydrophobicContact CE2-CB 3.54Å
93N93.2Very high92.8Very high29 Ų2969.6 Ų69.616%0.15534%0.344CS..  trans-129.5123.8170.3175.4-80000108.2Y91 N95 R96 A97 D122 P124Y91-N93 PolarHBondContact O-N 2.84Å; N93-N95 VanDerWaalsContact C-N 3.28Å; N93-N95 PolarHBondContact O-N 3.25Å; N93-N95 WeakPolarHBondContact OD1-CA 3.19Å; N93-N95 WeakPolarHBondContact OD1-CB 3.39Å; N93-N95 PolarHBondContact OD1-N 2.75Å; N93-R96 HydrophobicContact CB-CB 4.37Å; N93-R96 PolarHBondContact O-N 2.77Å; N93-R96 PolarHBondContact OD1-N 3.1Å; N93-A97 PolarHBondContact O-N 3.47Å; N93-D122 PolarHBondContact ND2-O 3Å; N93-P124 HydrophobicContact CB-CG 4.5Å
94A91.3Very high92.9Very high0 Ų073.2 Ų73.20%035%0.35CS..Hα-helixtrans-61.1-38.7-17600000111.7Y92 R96 A97 F98 L110 I119 T121Y92-A94 HydrophobicContact CE1-CB 3.96Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.46Å; A94-A97 PolarHBondContact O-N 3Å; A94-A97 VanDerWaalsContact O-N 3.14Å; A94-F98 WeakPolarHBondContact O-CD2 3.39Å; A94-F98 PolarHBondContact O-N 3.06Å; A94-F98 VanDerWaalsContact O-N 3.15Å; A94-L110 HydrophobicContact CB-CD2 3.77Å; A94-I119 HydrophobicContact CB-CG2 4.15Å; A94-T121 HydrophobicContact CB-CG2 4.37Å
95N91.6Very high93Very high30 Ų3071.4 Ų71.416%0.1634%0.335CS..Hα-helixtrans-59.1-44.5178.4-157.4-66.3000111.9N93 Q99 K106 T121N93-N95 VanDerWaalsContact C-N 3.28Å; N93-N95 PolarHBondContact O-N 3.25Å; N93-N95 WeakPolarHBondContact OD1-CA 3.19Å; N93-N95 WeakPolarHBondContact OD1-CB 3.39Å; N93-N95 PolarHBondContact OD1-N 2.75Å; N95-Q99 PolarHBondContact O-N 2.85Å; N95-K106 WeakPolarHBondContact O-CE 3.49Å; N95-K106 WeakPolarHBondContact OD1-CE 3.41Å; N95-K106 PolarHBondContact OD1-NZ 3.44Å; N95-T121 PolarHBondContact ND2-O 2.78Å
96R90.6Very high92.8Very high118 Ų11870.2 Ų70.245%0.44533%0.332SS..Hα-helixtrans-67.3-38.4174-80.1-170.2172162.510.1112.8N93 A94 F98 Q99 P124N93-R96 HydrophobicContact CB-CB 4.37Å; N93-R96 PolarHBondContact O-N 2.77Å; N93-R96 PolarHBondContact OD1-N 3.1Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.46Å; R96-F98 VanDerWaalsContact C-N 3.29Å; R96-F98 PolarHBondContact O-N 2.77Å; R96-Q99 WeakPolarHBondContact O-CB 3.37Å; R96-Q99 VanDerWaalsContact O-CD 3.29Å; R96-Q99 WeakPolarHBondContact O-CG 3.37Å; R96-Q99 PolarHBondContact O-N 2.82Å; R96-P124 HydrophobicContact CG-CG 3.71Å; R96-P124 VanDerWaalsContact CZ-CG 3.44Å
97A89.6Confident92.6Very high33 Ų3369.1 Ų69.127%0.27333%0.332SS..Hα-helixtrans-61.5-38.3-178.900000112.3Y92 N93 A94Y92-A97 HydrophobicContact CD2-CB 4.5Å; Y92-A97 HydrophobicContact CE2-CB 3.54Å; N93-A97 PolarHBondContact O-N 3.47Å; A94-A97 PolarHBondContact O-N 3Å; A94-A97 VanDerWaalsContact O-N 3.14Å
98F90.1Very high92.5Very high40 Ų4075 Ų7518%0.17536%0.359CS..THydrogen-bonded Turntrans-99.614.3-179.3-57.1-67.5000113.8A94 R96 K100 M101 K106 L110 L113A94-F98 WeakPolarHBondContact O-CD2 3.39Å; A94-F98 PolarHBondContact O-N 3.06Å; A94-F98 VanDerWaalsContact O-N 3.15Å; R96-F98 VanDerWaalsContact C-N 3.29Å; R96-F98 PolarHBondContact O-N 2.77Å; F98-K100 PolarHBondContact O-N 2.99Å; F98-K100 VanDerWaalsContact O-N 3.15Å; F98-M101 HydrophobicContact CB-SD 4.15Å; F98-M101 HydrophobicContact CD1-CE 3.58Å; F98-M101 HydrophobicContact CD1-SD 3.61Å; F98-M101 HydrophobicContact CE1-CE 4.03Å; F98-M101 HydrophobicContact CE1-SD 4.49Å; F98-M101 HydrophobicContact CG-SD 4.26Å; F98-M101 WeakPolarHBondContact O-CB 3.36Å; F98-M101 PolarHBondContact O-N 2.83Å; F98-M101 VanDerWaalsContact O-N 3.11Å; F98-K106 HydrophobicContact CB-CG 4.1Å; F98-L110 HydrophobicContact CD2-CD2 3.94Å; F98-L113 HydrophobicContact CD2-CD1 4.25Å; F98-L113 HydrophobicContact CE2-CD1 3.31Å; F98-L113 HydrophobicContact CZ-CD1 3.84Å
99Q89.9Confident92.3Very high118 Ų11875.8 Ų75.855%0.55136%0.359SS*.THydrogen-bonded Turntrans-61.8-24.9-17673.4-172-19.700114.3N95 R96N95-Q99 PolarHBondContact O-N 2.85Å; R96-Q99 WeakPolarHBondContact O-CB 3.37Å; R96-Q99 VanDerWaalsContact O-CD 3.29Å; R96-Q99 WeakPolarHBondContact O-CG 3.37Å; R96-Q99 PolarHBondContact O-N 2.82Å
100K87.6Confident92Very high153 Ų15376.4 Ų76.467%0.66536%0.362SS*.THydrogen-bonded Turntrans-87-3.2-179.7-63-172.6-179.8-178.90113.4E55 F98E55-K100 PolarHBondContact O-NZ 3.15Å; F98-K100 PolarHBondContact O-N 2.99Å; F98-K100 VanDerWaalsContact O-N 3.15Å
101M89.4Confident91.8Very high82 Ų8280 Ų8040%0.40438%0.376SS..SBendtrans-83.4153.4177.7-68.1-174.8171.500111.2F98 K105 K106 Q109F98-M101 HydrophobicContact CB-SD 4.15Å; F98-M101 HydrophobicContact CD1-CE 3.58Å; F98-M101 HydrophobicContact CD1-SD 3.61Å; F98-M101 HydrophobicContact CE1-CE 4.03Å; F98-M101 HydrophobicContact CE1-SD 4.49Å; F98-M101 HydrophobicContact CG-SD 4.26Å; F98-M101 WeakPolarHBondContact O-CB 3.36Å; F98-M101 PolarHBondContact O-N 2.83Å; F98-M101 VanDerWaalsContact O-N 3.11Å; M101-K105 HydrophobicContact CB-CB 4.48Å; M101-K106 HydrophobicContact CB-CB 4.21Å; M101-Q109 HydrophobicContact SD-CG 4.11Å
102D92.4Very high91.7Very high101 Ų10182.1 Ų82.154%0.5439%0.389SS..  trans-50.5141.7168.5-63-59.7000110.7K104 K105 K106D102-K104 VanDerWaalsContact C-N 3.3Å; D102-K104 PolarHBondContact O-N 2.88Å; D102-K104 VanDerWaalsContact O-N 3.16Å; D102-K105 HydrophobicContact CB-CB 4.4Å; D102-K105 HydrophobicContact CB-CD 4.22Å; D102-K105 HydrophobicContact CB-CG 4.31Å; D102-K105 PolarHBondContact O-N 3.37Å; D102-K105 IonicContact OD2-NZ 3.92Å; D102-K105 PolarHBondContact OD2-NZ 3.4Å; D102-K106 PolarHBondContact O-N 3.44Å
103T91.3Very high91.5Very high105 Ų10581.6 Ų81.664%0.64439%0.389SS*.Hα-helixtrans-48.9-49-174.6-49.60000113K105 K106 E107T103-K105 PolarHBondContact O-N 2.91Å; T103-K106 WeakPolarHBondContact O-CB 3.22Å; T103-K106 PolarHBondContact O-N 2.84Å; T103-E107 WeakPolarHBondContact O-CG 3.2Å; T103-E107 PolarHBondContact O-N 3.36Å
104K93.1Very high91.5Very high163 Ų16386.3 Ų86.371%0.70941%0.408SS*.Hα-helixtrans-60.6-47.1179.1-65.6-173.4177.8-176.40112.4D102 K106 E107 E108D102-K104 VanDerWaalsContact C-N 3.3Å; D102-K104 PolarHBondContact O-N 2.88Å; D102-K104 VanDerWaalsContact O-N 3.16Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 3.42Å; K104-E107 PolarHBondContact O-N 3.28Å; K104-E108 VanDerWaalsContact O-CG 3.32Å; K104-E108 WeakPolarHBondContact O-CG 3.14Å; K104-E108 PolarHBondContact O-N 2.65Å
105K93.7Very high91.6Very high110 Ų11092.8 Ų92.848%0.47844%0.439SS..Hα-helixtrans-65.4-39.6178.9-66.7177.9-173.8150.60111.2M101 D102 T103 E108 Q109M101-K105 HydrophobicContact CB-CB 4.48Å; D102-K105 HydrophobicContact CB-CB 4.4Å; D102-K105 HydrophobicContact CB-CD 4.22Å; D102-K105 HydrophobicContact CB-CG 4.31Å; D102-K105 PolarHBondContact O-N 3.37Å; D102-K105 IonicContact OD2-NZ 3.92Å; D102-K105 PolarHBondContact OD2-NZ 3.4Å; T103-K105 PolarHBondContact O-N 2.91Å; K105-E108 PolarHBondContact O-N 3.48Å; K105-Q109 WeakPolarHBondContact O-CB 3.41Å; K105-Q109 WeakPolarHBondContact O-CG 3.24Å; K105-Q109 PolarHBondContact O-N 3.1Å
106K91.7Very high91.7Very high47 Ų4798 Ų9820%0.20446%0.46CS..Hα-helixtrans-59.8-48.6175.5-178.7-176.2176.2-174.40110.4N95 F98 M101 D102 T103 K104 Q109 L110N95-K106 WeakPolarHBondContact O-CE 3.49Å; N95-K106 WeakPolarHBondContact OD1-CE 3.41Å; N95-K106 PolarHBondContact OD1-NZ 3.44Å; F98-K106 HydrophobicContact CB-CG 4.1Å; M101-K106 HydrophobicContact CB-CB 4.21Å; D102-K106 PolarHBondContact O-N 3.44Å; T103-K106 WeakPolarHBondContact O-CB 3.22Å; T103-K106 PolarHBondContact O-N 2.84Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 3.42Å; K106-Q109 PolarHBondContact O-N 3.1Å; K106-L110 HydrophobicContact CG-CD1 3.97Å; K106-L110 HydrophobicContact CG-CG 4.39Å; K106-L110 WeakPolarHBondContact O-CB 3.4Å; K106-L110 VanDerWaalsContact O-CG 3.25Å; K106-L110 WeakPolarHBondContact O-CG 3.42Å; K106-L110 PolarHBondContact O-N 3Å
107E91.6Very high91.8Very high123 Ų12399.2 Ų99.258%0.57547%0.465SS*.Hα-helixtrans-61.1-45.5178.5-72.9175.9126.600112.2T103 K104 Q109 L110 K111T103-E107 WeakPolarHBondContact O-CG 3.2Å; T103-E107 PolarHBondContact O-N 3.36Å; K104-E107 PolarHBondContact O-N 3.28Å; E107-Q109 PolarHBondContact O-N 3.3Å; E107-L110 PolarHBondContact O-N 2.95Å; E107-K111 VanDerWaalsContact O-CB 3.27Å; E107-K111 WeakPolarHBondContact O-CB 3.49Å; E107-K111 PolarHBondContact O-N 2.85Å
108E93.8Very high91.7Very high125 Ų125100.6 Ų100.658%0.58448%0.483SS*.Hα-helixtrans-59.8-46.2176.3-72.7168173.800112K104 K105 K111 L112K104-E108 VanDerWaalsContact O-CG 3.32Å; K104-E108 WeakPolarHBondContact O-CG 3.14Å; K104-E108 PolarHBondContact O-N 2.65Å; K105-E108 PolarHBondContact O-N 3.48Å; E108-K111 PolarHBondContact O-N 3.26Å; E108-L112 VanDerWaalsContact O-CB 3.31Å; E108-L112 WeakPolarHBondContact O-CB 3.45Å; E108-L112 PolarHBondContact O-N 3.2Å
109Q91.9Very high91.6Very high76 Ų76101.2 Ų101.236%0.35549%0.487SS..Hα-helixtrans-66-43.2179.3-70.8-66.7-28.900112.1M101 K105 K106 E107 L112 L113M101-Q109 HydrophobicContact SD-CG 4.11Å; K105-Q109 WeakPolarHBondContact O-CB 3.41Å; K105-Q109 WeakPolarHBondContact O-CG 3.24Å; K105-Q109 PolarHBondContact O-N 3.1Å; K106-Q109 PolarHBondContact O-N 3.1Å; E107-Q109 PolarHBondContact O-N 3.3Å; Q109-L112 PolarHBondContact O-N 3.15Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.21Å; Q109-L113 PolarHBondContact O-N 3.23Å
110L91.2Very high91.4Very high17 Ų1799.1 Ų99.19%0.08948%0.48CS..Hα-helixtrans-64-44.5176.3-69.2177.5000110.8A94 F98 K106 E107 L112 L113 K114 T121A94-L110 HydrophobicContact CB-CD2 3.77Å; F98-L110 HydrophobicContact CD2-CD2 3.94Å; K106-L110 HydrophobicContact CG-CD1 3.97Å; K106-L110 HydrophobicContact CG-CG 4.39Å; K106-L110 WeakPolarHBondContact O-CB 3.4Å; K106-L110 VanDerWaalsContact O-CG 3.25Å; K106-L110 WeakPolarHBondContact O-CG 3.42Å; K106-L110 PolarHBondContact O-N 3Å; E107-L110 PolarHBondContact O-N 2.95Å; L110-L112 PolarHBondContact O-N 3.22Å; L110-L113 PolarHBondContact O-N 2.78Å; L110-K114 WeakPolarHBondContact O-CB 3.49Å; L110-K114 PolarHBondContact O-N 3.47Å; L110-T121 HydrophobicContact CB-CG2 3.9Å; L110-T121 HydrophobicContact CD2-CG2 3.8Å; L110-T121 HydrophobicContact CG-CG2 4.4Å; L110-T121 WeakPolarHBondContact O-CG2 3.31Å
111K92.7Very high91.4Very high127 Ų12792.7 Ų92.755%0.55245%0.454SS*.Hα-helixtrans-59.5-46.7176.3-174.9177.3173.9-176.60111.3E107 E108 L113 K114 E115E107-K111 VanDerWaalsContact O-CB 3.27Å; E107-K111 WeakPolarHBondContact O-CB 3.49Å; E107-K111 PolarHBondContact O-N 2.85Å; E108-K111 PolarHBondContact O-N 3.26Å; K111-L113 VanDerWaalsContact C-N 3.35Å; K111-L113 PolarHBondContact O-N 2.78Å; K111-K114 PolarHBondContact O-N 3.16Å; K111-E115 WeakPolarHBondContact CE-OE1 3.22Å; K111-E115 HydrophobicContact CG-CG 4.37Å; K111-E115 IonicContact NZ-OE1 2.63Å; K111-E115 WeakPolarHBondContact O-CB 3.31Å; K111-E115 WeakPolarHBondContact O-CG 3.42Å; K111-E115 PolarHBondContact O-N 3.11Å
112L93.9Very high91.2Very high89 Ų8993.6 Ų93.647%0.46646%0.46SS..Hα-helixtrans-59.7-43.2177.9-17767.6000112.2E108 Q109 L110 E115 K116E108-L112 VanDerWaalsContact O-CB 3.31Å; E108-L112 WeakPolarHBondContact O-CB 3.45Å; E108-L112 PolarHBondContact O-N 3.2Å; Q109-L112 PolarHBondContact O-N 3.15Å; L110-L112 PolarHBondContact O-N 3.22Å; L112-E115 PolarHBondContact O-N 3.22Å; L112-K116 WeakPolarHBondContact O-CB 3.5Å; L112-K116 PolarHBondContact O-N 3.26Å
113L92.1Very high90.9Very high28 Ų2892.9 Ų92.915%0.14746%0.461CS..Hα-helixtrans-67.1-37.7177.7-72.5171.5000112.5F98 Q109 L110 K111 Y117 G118 I119F98-L113 HydrophobicContact CD2-CD1 4.25Å; F98-L113 HydrophobicContact CE2-CD1 3.31Å; F98-L113 HydrophobicContact CZ-CD1 3.84Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.21Å; Q109-L113 PolarHBondContact O-N 3.23Å; L110-L113 PolarHBondContact O-N 2.78Å; K111-L113 VanDerWaalsContact C-N 3.35Å; K111-L113 PolarHBondContact O-N 2.78Å; L113-Y117 HydrophobicContact CD2-CD2 3.94Å; L113-Y117 HydrophobicContact CD2-CE2 4.22Å; L113-Y117 PolarHBondContact O-N 2.88Å; L113-G118 PolarHBondContact O-N 3.18Å; L113-I119 HydrophobicContact CB-CD1 4.35Å; L113-I119 HydrophobicContact CD2-CD1 4.13Å
114K91.3Very high90.4Very high127 Ų12790.2 Ų90.255%0.55245%0.445SS*.Hα-helixtrans-66-45.5175.6-172.1175-177.5172.80111.2L110 K111 G118 T121L110-K114 WeakPolarHBondContact O-CB 3.49Å; L110-K114 PolarHBondContact O-N 3.47Å; K111-K114 PolarHBondContact O-N 3.16Å; K114-G118 VanDerWaalsContact O-CA 3.22Å; K114-G118 WeakPolarHBondContact O-CA 3.2Å; K114-G118 PolarHBondContact O-N 3.38Å; K114-T121 HydrophobicContact CB-CG2 4.28Å
115E93.4Very high89.6Confident137 Ų13793.5 Ų93.564%0.6446%0.46SS*.Hα-helixtrans-68.7-43.2179.7-72.3176.2162.100112.4K111 L112K111-E115 WeakPolarHBondContact CE-OE1 3.22Å; K111-E115 HydrophobicContact CG-CG 4.37Å; K111-E115 IonicContact NZ-OE1 2.63Å; K111-E115 WeakPolarHBondContact O-CB 3.31Å; K111-E115 WeakPolarHBondContact O-CG 3.42Å; K111-E115 PolarHBondContact O-N 3.11Å; L112-E115 PolarHBondContact O-N 3.22Å
116K94.2Very high89.4Confident138 Ų13892.7 Ų92.760%0.646%0.459SS*.Hα-helixtrans-81.9-35.4-173.4-169173.2-178.5-173.60114L112L112-K116 WeakPolarHBondContact O-CB 3.5Å; L112-K116 PolarHBondContact O-N 3.26Å
117Y92.1Very high89.3Confident144 Ų14495.1 Ų95.157%0.56547%0.472SS*.Hα-helixtrans-128.6-1.7-170.7-57-67.1000114.1L113 I119L113-Y117 HydrophobicContact CD2-CD2 3.94Å; L113-Y117 HydrophobicContact CD2-CE2 4.22Å; L113-Y117 PolarHBondContact O-N 2.88Å; Y117-I119 VanDerWaalsContact C-N 3.25Å; Y117-I119 HydrophobicContact CD2-CD1 4.19Å; Y117-I119 HydrophobicContact CG-CD1 4.28Å; Y117-I119 PolarHBondContact O-N 3Å
118G87.9Confident89.1Confident63 Ų6393.6 Ų93.665%0.64947%0.467SS*.  trans65.325.9-178.400000114L113 K114L113-G118 PolarHBondContact O-N 3.18Å; K114-G118 VanDerWaalsContact O-CA 3.22Å; K114-G118 WeakPolarHBondContact O-CA 3.2Å; K114-G118 PolarHBondContact O-N 3.38Å
119I88.2Confident88.9Confident52 Ų5291.7 Ų91.727%0.26746%0.46SS..  trans-74.3140.6-175.1-67.6166000111A94 L113 Y117 T121A94-I119 HydrophobicContact CB-CG2 4.15Å; L113-I119 HydrophobicContact CB-CD1 4.35Å; L113-I119 HydrophobicContact CD2-CD1 4.13Å; Y117-I119 VanDerWaalsContact C-N 3.25Å; Y117-I119 HydrophobicContact CD2-CD1 4.19Å; Y117-I119 HydrophobicContact CG-CD1 4.28Å; Y117-I119 PolarHBondContact O-N 3Å; I119-T121 PolarHBondContact O-N 3.02Å
120N86.3Confident88.7Confident75 Ų7592.7 Ų92.740%0.40147%0.466SS..  trans-65.1123.4170.6-175.41.2000110.7D122N120-D122 WeakPolarHBondContact OD1-CB 3.47Å; N120-D122 PolarHBondContact OD1-N 2.87Å; N120-D122 PolarHBondContact OD1-OD2 3.44Å; N120-D122 VanDerWaalsContact OD1-OD2 3.1Å
121T86.7Confident88.5Confident18 Ų1897.7 Ų97.711%0.1149%0.492CS..  trans-115.83.5-176.748.50000113.2A94 N95 L110 K114 I119A94-T121 HydrophobicContact CB-CG2 4.37Å; N95-T121 PolarHBondContact ND2-O 2.78Å; L110-T121 HydrophobicContact CB-CG2 3.9Å; L110-T121 HydrophobicContact CD2-CG2 3.8Å; L110-T121 HydrophobicContact CG-CG2 4.4Å; L110-T121 WeakPolarHBondContact O-CG2 3.31Å; K114-T121 HydrophobicContact CB-CG2 4.28Å; I119-T121 PolarHBondContact O-N 3.02Å
122D86.6Confident88.2Confident100 Ų10095.6 Ų95.654%0.53549%0.487SS..SBendtrans-66.9149175.9-60.1-44.4000110.4N93 N120N93-D122 PolarHBondContact ND2-O 3Å; N120-D122 WeakPolarHBondContact OD1-CB 3.47Å; N120-D122 PolarHBondContact OD1-N 2.87Å; N120-D122 PolarHBondContact OD1-OD2 3.44Å; N120-D122 VanDerWaalsContact OD1-OD2 3.1Å
123P84.9Confident87.8Confident86 Ų8696.2 Ų96.256%0.55849%0.489SS*.PPolyproline II helixtrans-54.9150.7169.1-22.933.7000111.3
124P80.2Confident87.4Confident49 Ų49101.8 Ų101.832%0.31852%0.517SS..PPolyproline II helixtrans-55.4142.1171.1-3.78.3000110.7N93 R96N93-P124 HydrophobicContact CB-CG 4.5Å; R96-P124 HydrophobicContact CG-CG 3.71Å; R96-P124 VanDerWaalsContact CZ-CG 3.44Å
125K77.2Confident87.1Confident233 Ų23399.5 Ų99.5100%1.01351%0.514SS*.  trans-64.30172.7-64.7-178.8-178.5173.90111.8

Retrieved 125 of 125 residues in 24 ms (Link to these results)

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