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Nucleotide triphosphate diphosphatase NUDT15

May catalyze the hydrolysis of nucleoside triphosphates including dGTP, dTTP, dCTP, their oxidized forms like 8-oxo-dGTP and the prodrug thiopurine derivatives 6-thio-dGTP and 6-thio-GTP. Could also catalyze the hydrolysis of some nucleoside diphosphate derivatives. Hydrolyzes oxidized nucleosides triphosphates like 8-oxo-dGTP in vitro, but the specificity and efficiency towards these substrates are low. Therefore, the potential in vivo sanitizing role of this enzyme, that would consist in removing oxidatively damaged forms of nucleosides to prevent their incorporation into DNA, is unclear. Through the hydrolysis of thioguanosine triphosphates may participate in the catabolism of thiopurine drugs. May also have a role in DNA synthesis and cell cycle progression by stabilizing PCNA. Exhibits decapping activity towards dpCoA-capped RNAs in vitro.

AlphaFold DB , UniProt , Accession A0A096MS25, Species PAPAN (Papio anubis, Olive baboon), Gene NUDT15, Length 164 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
1M45.8Very low66.9Low246 Ų246151.4 Ų151.4100%1.21279%0.793SS**  0102.10-76.1166.7175.300106.5D3M1-D3 PolarHBondContact O-N 2.96Å
2T45.6Very low69.5Low137 Ų137143.6 Ų143.684%0.8476%0.758SS**  trans-82105.6176.7440000107.1S4T2-S4 VanDerWaalsContact C-N 3.27Å; T2-S4 PolarHBondContact O-N 2.83Å
3D52.7Low71.7Confident161 Ų161134.1 Ų134.186%0.86172%0.716SS**  trans-74.685.5176.5-1455.2000107.7M1 A5M1-D3 PolarHBondContact O-N 2.96Å; D3-A5 PolarHBondContact O-N 2.84Å
4S57.4Low73.6Confident108 Ų108129.1 Ų129.176%0.75569%0.693SS**  trans-76.375.8171.857.80000108.2T2 E6T2-S4 VanDerWaalsContact C-N 3.27Å; T2-S4 PolarHBondContact O-N 2.83Å; S4-E6 PolarHBondContact O-N 3.32Å
5A62.5Low75.3Confident77 Ų77120.9 Ų120.964%0.63665%0.651SS**  trans-63121.8169.800000108.4D3D3-A5 PolarHBondContact O-N 2.84Å
6E63.4Low76.8Confident171 Ų171113.5 Ų113.580%0.79961%0.611SS**  trans-50.3145.5167.5-69.5-166.9156.700110.1S4 R8S4-E6 PolarHBondContact O-N 3.32Å; E6-R8 PolarHBondContact O-N 3.13Å
7P62Low78.1Confident127 Ų127107.4 Ų107.483%0.82558%0.58SS**  trans-59111.917823-30.7000108.8G9P7-G9 PolarHBondContact O-N 2.87Å; P7-G9 VanDerWaalsContact O-N 3.15Å
8R75Confident79.2Confident203 Ų203101.4 Ų101.477%0.76655%0.548SS*.PPolyproline II helixtrans-55.9123.5176-68.7-178.5-176.31761.5108.1E6E6-R8 PolarHBondContact O-N 3.13Å
9G82Confident80.2Confident59 Ų5996.1 Ų96.161%0.60852%0.519SS*.PPolyproline II helixtrans-56153.8177.800000112.3P7 R11P7-G9 PolarHBondContact O-N 2.87Å; P7-G9 VanDerWaalsContact O-N 3.15Å; G9-R11 PolarHBondContact O-N 2.81Å
10R93.3Very high81.2Confident194 Ų19491.3 Ų91.373%0.73249%0.493SS*.PPolyproline II helixtrans-55.5134.3176.8-174.5177.6-179.8-166-3.8109.7K89R10-K89 VanDerWaalsContact CZ-O 3.31Å; R10-K89 PolarHBondContact NH1-O 2.83Å; R10-K89 PolarHBondContact NH2-O 3.19Å
11R96.3Very high82Confident182 Ų18287.8 Ų87.869%0.68748%0.475SS*.  trans-105.9156.6177.5-69.9179.6176.5166.7-4.1110.9G9G9-R11 PolarHBondContact O-N 2.81Å
12P97.8Very high84.5Confident58 Ų5876.5 Ų76.538%0.37742%0.42SS..  trans-61.2147.1173-18.531.3000111.4H91P12-H91 VanDerWaalsContact CA-O 3.3Å; P12-H91 WeakPolarHBondContact CA-O 3.28Å; P12-H91 HydrophobicContact CB-CB 4.28Å
13G98.2Very high87Confident20 Ų2074.8 Ų74.821%0.20641%0.413CS..EExtended strand (participates in β ladder)trans-78.4165.3164.900000111.6H91 Y92 V93G13-H91 PolarHBondContact N-O 2.71Å; G13-Y92 WeakPolarHBondContact O-CA 3.46Å; G13-V93 PolarHBondContact O-N 2.83Å
14V98.8Very high89.2Confident65 Ų6572.8 Ų72.839%0.39440%0.397SS..EExtended strand (participates in β ladder)trans-120.3130.7172.2-175.80000108.4L50 V93 I95V14-L50 HydrophobicContact CG1-CB 4.21Å; V14-L50 HydrophobicContact CG1-CD2 4.12Å; V14-L50 PolarHBondContact O-N 3.3Å; V14-V93 WeakPolarHBondContact CA-O 3.16Å; V14-I95 HydrophobicContact CG1-CD1 4.03Å
15G98.6Very high91.2Very high6 Ų670 Ų706%0.06237%0.372CS..EExtended strand (participates in β ladder)trans-138.3165.5175.300000112.1G48 V93 T94 I95G15-G48 CarbonylContact C-O 3.46Å; G15-G48 WeakPolarHBondContact CA-O 3.12Å; G15-V93 PolarHBondContact N-O 3.24Å; G15-V93 VanDerWaalsContact N-O 3.08Å; G15-T94 CarbonylContact O-C 3.43Å; G15-T94 WeakPolarHBondContact O-CA 3.43Å; G15-I95 PolarHBondContact O-N 3.35Å
16V98.9Very high92.8Very high2 Ų270.3 Ų70.31%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-119.1123.8175.7-177.30000108.5G47 G48 L50 C59 A60 I95 M97V16-G47 CarbonylContact O-C 3.56Å; V16-G47 WeakPolarHBondContact O-CA 3.47Å; V16-G48 PolarHBondContact N-O 2.75Å; V16-G48 PolarHBondContact O-N 3.15Å; V16-G48 VanDerWaalsContact O-N 3.11Å; V16-L50 HydrophobicContact CG2-CB 4.33Å; V16-L50 HydrophobicContact CG2-CD1 4.21Å; V16-C59 HydrophobicContact CB-CB 4.31Å; V16-C59 HydrophobicContact CG2-CB 3.93Å; V16-C59 VanDerWaalsContact CG2-SG 3.57Å; V16-A60 HydrophobicContact CG1-CB 4.1Å; V16-I95 CarbonylContact C-O 3.34Å; V16-I95 VanDerWaalsContact CA-O 3.26Å; V16-I95 WeakPolarHBondContact CA-O 3.25Å; V16-I95 HydrophobicContact CG2-CB 4.4Å; V16-M97 HydrophobicContact CG1-CB 4.42Å; V16-M97 HydrophobicContact CG1-CG 3.65Å
17G98.8Very high94.5Very high9 Ų970.6 Ų70.69%0.09336%0.361CS..EExtended strand (participates in β ladder)trans-104.6147.4168.900000110.6I95 L96 M97G17-I95 PolarHBondContact N-O 2.88Å; G17-L96 WeakPolarHBondContact O-CA 3.36Å; G17-M97 PolarHBondContact O-N 3.48Å
18V98.9Very high96.2Very high0 Ų065.3 Ų65.30%033%0.327CS..EExtended strand (participates in β ladder)trans-121.4115.1-170.9-163.50000111.7V20 P46 A60 L72 M97V18-V20 HydrophobicContact CB-CG2 4.21Å; V18-V20 HydrophobicContact CG1-CG2 3.76Å; V18-V20 PolarHBondContact O-N 3.16Å; V18-P46 PolarHBondContact N-O 2.97Å; V18-P46 WeakPolarHBondContact O-CD 3.41Å; V18-A60 HydrophobicContact CG1-CB 4.27Å; V18-A60 HydrophobicContact CG2-CB 3.64Å; V18-L72 HydrophobicContact CG1-CD1 3.74Å; V18-M97 CarbonylContact C-O 3.57Å; V18-M97 WeakPolarHBondContact CA-O 3.35Å
19V98.8Very high97.3Very high0 Ų055.7 Ų55.70%029%0.29CS..EExtended strand (participates in β ladder)trans-8096168.5-1790000108.1I29 L45 M97 K98 G99 L141 Y146 P148V19-I29 HydrophobicContact CG1-CB 4.42Å; V19-I29 HydrophobicContact CG1-CG2 3.79Å; V19-L45 HydrophobicContact CG2-CD1 3.91Å; V19-L45 HydrophobicContact CG2-CD2 4.4Å; V19-M97 PolarHBondContact N-O 3.06Å; V19-K98 HydrophobicContact CB-CB 4.35Å; V19-K98 HydrophobicContact CB-CG 4.45Å; V19-K98 HydrophobicContact CG1-CG 4.44Å; V19-K98 VanDerWaalsContact O-CA 3.32Å; V19-K98 WeakPolarHBondContact O-CA 3.12Å; V19-G99 PolarHBondContact O-N 2.98Å; V19-L141 HydrophobicContact CG2-CD2 3.86Å; V19-Y146 HydrophobicContact CG1-CE1 4.3Å; V19-Y146 HydrophobicContact CG2-CE1 4Å; V19-P148 HydrophobicContact CG1-CB 3.75Å
20V98.9Very high98.1Very high0 Ų052.9 Ų52.90%026%0.261CS..EExtended strand (participates in β ladder)trans-89.8127.3179.2-176.50000109.9V18 I29 L30 P46 T64 L72 V101 W122V18-V20 HydrophobicContact CB-CG2 4.21Å; V18-V20 HydrophobicContact CG1-CG2 3.76Å; V18-V20 PolarHBondContact O-N 3.16Å; V20-I29 VanDerWaalsContact O-CA 3.24Å; V20-I29 WeakPolarHBondContact O-CA 3.39Å; V20-L30 HydrophobicContact CB-CB 3.89Å; V20-L30 HydrophobicContact CG1-CB 4.44Å; V20-L30 PolarHBondContact O-N 2.97Å; V20-L30 VanDerWaalsContact O-N 3.09Å; V20-P46 HydrophobicContact CG2-CG 4.13Å; V20-T64 HydrophobicContact CG2-CG2 4Å; V20-L72 HydrophobicContact CG1-CD2 3.75Å; V20-L72 HydrophobicContact CG2-CD1 4.39Å; V20-L72 HydrophobicContact CG2-CD2 4.15Å; V20-V101 HydrophobicContact CG1-CG2 3.67Å; V20-W122 HydrophobicContact CG1-CH2 3.94Å; V20-W122 HydrophobicContact CG1-CZ3 4.29Å
21T98.8Very high98.3Very high19 Ų1943.7 Ų43.712%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-116.4157.3173.358.60000110.5I29 G99 E100 V101 F149T21-I29 HydrophobicContact CG2-CG2 4.25Å; T21-G99 PolarHBondContact N-O 3.11Å; T21-G99 PolarHBondContact OG1-O 2.98Å; T21-E100 CarbonylContact O-C 3.47Å; T21-E100 WeakPolarHBondContact O-CA 3.34Å; T21-E100 WeakPolarHBondContact OG1-CG 3.48Å; T21-V101 PolarHBondContact O-N 2.98Å; T21-F149 HydrophobicContact CG2-CE1 4.14Å
22S98.7Very high98.4Very high8 Ų835 Ų356%0.05620%0.195CC..BIsolated β-bridgetrans-139.3138.4176.61780000110.9K24 H25S22-K24 PolarHBondContact O-N 3.41Å; S22-K24 PolarHBondContact OG-N 3.1Å; S22-H25 CarbonylContact O-C 3.56Å; S22-H25 PolarHBondContact O-N 2.74Å; S22-H25 VanDerWaalsContact O-N 3.14Å
23C98.2Very high98.3Very high102 Ų10235.5 Ų35.569%0.68919%0.191SC*.THydrogen-bonded Turntrans-65.7-19.2173.165.30000112.9
24K98.4Very high98Very high118 Ų11837.9 Ų37.951%0.51319%0.194SC..THydrogen-bonded Turntrans-78.5-20.5175.1-64.7-170.5178.9-178.80113.1S22 P26 V103 S107S22-K24 PolarHBondContact O-N 3.41Å; S22-K24 PolarHBondContact OG-N 3.1Å; K24-P26 WeakPolarHBondContact O-CD 3.28Å; K24-V103 HydrophobicContact CG-CG1 4.47Å; K24-S107 WeakPolarHBondContact CD-OG 3.5Å; K24-S107 WeakPolarHBondContact CE-OG 3.45Å; K24-S107 PolarHBondContact NZ-OG 3.24Å
25H98.3Very high97.6Very high51 Ų5138.7 Ų38.724%0.23619%0.192CC..BIsolated β-bridgetrans-126.971.5-178.6-60.1-79.6000109.5S22 R27 C28 E108 W122S22-H25 CarbonylContact O-C 3.56Å; S22-H25 PolarHBondContact O-N 2.74Å; S22-H25 VanDerWaalsContact O-N 3.14Å; H25-R27 PolarHBondContact O-N 3.09Å; H25-C28 HydrophobicContact CB-CB 3.99Å; H25-C28 WeakPolarHBondContact O-CB 3.34Å; H25-C28 PolarHBondContact O-N 3.22Å; H25-C28 VanDerWaalsContact O-N 3.16Å; H25-E108 IonicContact CD2-OE1 3.24Å; H25-E108 IonicContact CE1-OE1 3.42Å; H25-E108 IonicContact CE1-OE2 3.13Å; H25-E108 IonicContact NE2-OE1 3.73Å; H25-E108 PolarHBondContact NE2-OE1 3.14Å; H25-E108 IonicContact NE2-OE2 3.75Å; H25-E108 PolarHBondContact NE2-OE2 3.25Å; H25-W122 HydrophobicContact CB-CB 4.02Å; H25-W122 HydrophobicContact CB-CD2 3.93Å; H25-W122 HydrophobicContact CB-CE3 4.17Å; H25-W122 HydrophobicContact CB-CG 3.87Å; H25-W122 AromaticContact CD2-CD1 3.35Å; H25-W122 AromaticContact CD2-CD2 3.65Å; H25-W122 AromaticContact CD2-CE2 3.43Å; H25-W122 VanDerWaalsContact CD2-CE2 3.43Å; H25-W122 AromaticContact CD2-CG 3.61Å; H25-W122 AromaticContact CD2-NE1 3.21Å; H25-W122 PolarHBondContact CD2-NE1 3.22Å; H25-W122 AromaticContact CE1-CD1 3.45Å; H25-W122 VanDerWaalsContact CE1-CD1 3.45Å; H25-W122 AromaticContact CE1-NE1 3.88Å; H25-W122 AromaticContact CG-CD1 3.58Å; H25-W122 AromaticContact CG-CD2 3.79Å; H25-W122 AromaticContact CG-CG 3.48Å; H25-W122 VanDerWaalsContact CG-CG 3.48Å; H25-W122 AromaticContact CG-NE1 3.9Å; H25-W122 AromaticContact ND1-CD1 3.67Å; H25-W122 AromaticContact ND1-CG 3.81Å; H25-W122 AromaticContact NE2-CD1 3.27Å; H25-W122 VanDerWaalsContact NE2-CD1 3.27Å; H25-W122 AromaticContact NE2-CE2 3.93Å; H25-W122 AromaticContact NE2-CG 3.97Å; H25-W122 AromaticContact NE2-NE1 3.2Å; H25-W122 PolarHBondContact NE2-NE1 3.5Å
26P97.8Very high96.8Very high83 Ų8340.9 Ų40.954%0.53921%0.214SC..THydrogen-bonded Turntrans-62.5139.4-172.526.5-35.2000111.3K24 C28K24-P26 WeakPolarHBondContact O-CD 3.28Å; P26-C28 PolarHBondContact O-N 3.28Å
27R97.5Very high95.8Very high176 Ų17646.8 Ų46.866%0.66426%0.256SS*.THydrogen-bonded Turntrans64.910.7-176.4-55.8-178.9-66.4-90.4-3.5115H25 P124 W125 F149H25-R27 PolarHBondContact O-N 3.09Å; R27-P124 WeakPolarHBondContact O-CA 3.48Å; R27-W125 PolarHBondContact O-N 2.85Å; R27-F149 HydrophobicContact CB-CE2 4.23Å; R27-F149 HydrophobicContact CB-CZ 4.35Å; R27-F149 WeakPolarHBondContact O-CE2 3.37Å; R27-F149 WeakPolarHBondContact O-CZ 3.43Å
28C98.4Very high94.9Very high17 Ų1749.4 Ų49.412%0.11527%0.27CS..EExtended strand (participates in β ladder)trans-102.6156.8175.8-59.50000112.3H25 P26 W122 V123H25-C28 HydrophobicContact CB-CB 3.99Å; H25-C28 WeakPolarHBondContact O-CB 3.34Å; H25-C28 PolarHBondContact O-N 3.22Å; H25-C28 VanDerWaalsContact O-N 3.16Å; P26-C28 PolarHBondContact O-N 3.28Å; C28-W122 HydrophobicContact CB-CB 4.04Å; C28-W122 HydrophobicContact CB-CE3 4.42Å; C28-V123 CarbonylContact C-O 3.6Å; C28-V123 VanDerWaalsContact CA-O 3.22Å; C28-V123 WeakPolarHBondContact CA-O 3.36Å
29I98.4Very high94.1Very high0 Ų050.4 Ų50.40%028%0.28CS..EExtended strand (participates in β ladder)trans-123.4158.116369156.6000110.6V19 V20 T21 L31 L45 V123 W125 F128 P148V19-I29 HydrophobicContact CG1-CB 4.42Å; V19-I29 HydrophobicContact CG1-CG2 3.79Å; V20-I29 VanDerWaalsContact O-CA 3.24Å; V20-I29 WeakPolarHBondContact O-CA 3.39Å; T21-I29 HydrophobicContact CG2-CG2 4.25Å; I29-L31 HydrophobicContact CD1-CD2 3.84Å; I29-L31 HydrophobicContact CD1-CG 4.29Å; I29-L31 HydrophobicContact CG1-CD2 4.34Å; I29-L31 HydrophobicContact CG1-CG 4.26Å; I29-L45 HydrophobicContact CD1-CD2 3.88Å; I29-V123 PolarHBondContact N-O 2.97Å; I29-V123 PolarHBondContact O-N 3.14Å; I29-W125 HydrophobicContact CD1-CE3 3.85Å; I29-W125 HydrophobicContact CD1-CZ3 3.67Å; I29-W125 HydrophobicContact CG1-CE3 4.12Å; I29-W125 HydrophobicContact CG1-CZ3 4.44Å; I29-W125 HydrophobicContact CG2-CE3 4.22Å; I29-F128 HydrophobicContact CD1-CE2 3.67Å; I29-F128 HydrophobicContact CD1-CZ 4.02Å; I29-F128 HydrophobicContact CG1-CE2 4Å; I29-P148 HydrophobicContact CG2-CB 4.22Å; I29-P148 HydrophobicContact CG2-CG 3.93Å
30L98.6Very high93.6Very high0 Ų053.6 Ų53.60%031%0.306CS..EExtended strand (participates in β ladder)trans-79.2123.5176.3-164.266.4000111V20 P46 A68 L70 P109 W120 W122V20-L30 HydrophobicContact CB-CB 3.89Å; V20-L30 HydrophobicContact CG1-CB 4.44Å; V20-L30 PolarHBondContact O-N 2.97Å; V20-L30 VanDerWaalsContact O-N 3.09Å; L30-P46 HydrophobicContact CD2-CG 3.9Å; L30-A68 HydrophobicContact CD2-CB 4.07Å; L30-L70 HydrophobicContact CD2-CD1 3.79Å; L30-P109 HydrophobicContact CD1-CB 4.13Å; L30-P109 HydrophobicContact CD1-CG 3.86Å; L30-P109 HydrophobicContact CD2-CB 4.29Å; L30-W120 HydrophobicContact CD1-CB 3.99Å; L30-W120 HydrophobicContact CD2-CD2 4.25Å; L30-W120 HydrophobicContact CD2-CE3 4Å; L30-W120 HydrophobicContact CG-CB 4.43Å; L30-W120 HydrophobicContact CG-CD2 4.39Å; L30-W120 HydrophobicContact CG-CE3 3.81Å; L30-W120 HydrophobicContact CG-CZ3 4.49Å; L30-W122 HydrophobicContact CB-CE3 4.22Å; L30-W122 HydrophobicContact CB-CH2 4.26Å; L30-W122 HydrophobicContact CB-CZ3 3.89Å; L30-W122 HydrophobicContact CD1-CD2 4.01Å; L30-W122 HydrophobicContact CD1-CE3 4.18Å; L30-W122 HydrophobicContact CD1-CH2 4.24Å; L30-W122 HydrophobicContact CD1-CZ2 4.12Å; L30-W122 HydrophobicContact CD1-CZ3 4.29Å
31L98.1Very high93.3Very high1 Ų155.2 Ų55.21%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-124.1140.4173.4-66.7-174.5000111.4I29 F43 Q44 L45 W120 E121 V123 F128 P129 L138I29-L31 HydrophobicContact CD1-CD2 3.84Å; I29-L31 HydrophobicContact CD1-CG 4.29Å; I29-L31 HydrophobicContact CG1-CD2 4.34Å; I29-L31 HydrophobicContact CG1-CG 4.26Å; L31-F43 HydrophobicContact CB-CD1 4.32Å; L31-F43 HydrophobicContact CD1-CB 4.43Å; L31-Q44 WeakPolarHBondContact CA-O 3.36Å; L31-L45 HydrophobicContact CD2-CD2 3.91Å; L31-W120 VanDerWaalsContact C-CE3 3.44Å; L31-W120 WeakPolarHBondContact O-CA 3.4Å; L31-E121 PolarHBondContact N-O 2.9Å; L31-E121 PolarHBondContact O-N 3.17Å; L31-V123 HydrophobicContact CB-CG2 4.04Å; L31-V123 HydrophobicContact CD1-CB 3.91Å; L31-V123 HydrophobicContact CD1-CG1 4.14Å; L31-V123 HydrophobicContact CD1-CG2 3.96Å; L31-V123 HydrophobicContact CG-CB 4.27Å; L31-V123 HydrophobicContact CG-CG2 4.22Å; L31-F128 HydrophobicContact CD1-CE2 3.86Å; L31-F128 HydrophobicContact CD1-CZ 3.9Å; L31-F128 HydrophobicContact CD2-CZ 4.25Å; L31-P129 HydrophobicContact CD1-CG 4.26Å; L31-L138 HydrophobicContact CD2-CD2 3.48Å; L31-L138 VanDerWaalsContact CD2-CD2 3.48Å
32G97.2Very high93.1Very high1 Ų155 Ų551%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-113.5152173.100000110.4F43 Q44 N117 S119 W120G32-F43 CarbonylContact O-C 3.47Å; G32-F43 VanDerWaalsContact O-CA 3.24Å; G32-F43 WeakPolarHBondContact O-CA 3.49Å; G32-Q44 PolarHBondContact N-O 3.03Å; G32-Q44 WeakPolarHBondContact O-CG 3.22Å; G32-Q44 PolarHBondContact O-N 3.43Å; G32-N117 WeakPolarHBondContact CA-OD1 2.87Å; G32-S119 VanDerWaalsContact CA-O 3.32Å; G32-S119 WeakPolarHBondContact CA-O 3.42Å; G32-W120 VanDerWaalsContact CA-CE3 3.4Å; G32-W120 VanDerWaalsContact CA-CZ3 3.41Å; G32-W120 VanDerWaalsContact N-CE3 3.29Å
33K95.3Very high93Very high68 Ų6856.7 Ų56.730%0.29633%0.329SS..EExtended strand (participates in β ladder)trans-104112.7173.6-176.8167.1167-131.40110.4F43 N117 E118K33-F43 HydrophobicContact CB-CD1 4.33Å; K33-F43 HydrophobicContact CB-CE1 4.27Å; K33-F43 HydrophobicContact CD-CE1 4.47Å; K33-F43 HydrophobicContact CD-CZ 4.45Å; K33-N117 PolarHBondContact N-OD1 2.87Å; K33-N117 PolarHBondContact O-OD1 3.31Å; K33-N117 VanDerWaalsContact O-OD1 3.1Å; K33-E118 HydrophobicContact CB-CB 4.2Å; K33-E118 VanDerWaalsContact CD-OE2 3.28Å; K33-E118 WeakPolarHBondContact CD-OE2 3.47Å; K33-E118 WeakPolarHBondContact CE-OE2 3.39Å; K33-E118 IonicContact NZ-OE1 3.32Å; K33-E118 PolarHBondContact NZ-OE1 2.95Å; K33-E118 IonicContact NZ-OE2 2.76Å; K33-E118 PolarHBondContact NZ-OE2 3.33Å; K33-E118 PolarHBondContact O-N 2.94Å
34R93.5Very high93Very high70 Ų7052.1 Ų52.126%0.26430%0.298SS..EExtended strand (participates in β ladder)trans-61.1137-171.4-75.9-172.482.9101.65112.6G41 S42 Q44R34-G41 PolarHBondContact O-N 2.89Å; R34-S42 PolarHBondContact N-O 2.94Å; R34-Q44 HydrophobicContact CG-CB 3.82Å; R34-Q44 HydrophobicContact CG-CG 3.65Å
35K89.8Confident93Very high81 Ų8147.2 Ų47.235%0.35228%0.277SS..  trans-108.7149.1159.2-64.7177.5-177.71640109P114 E115 K116 N117 E118K35-P114 WeakPolarHBondContact CD-O 3.45Å; K35-P114 PolarHBondContact NZ-O 3.5Å; K35-E115 WeakPolarHBondContact CB-O 3.41Å; K35-K116 PolarHBondContact N-O 3.08Å; K35-N117 PolarHBondContact NZ-O 3.33Å; K35-E118 HydrophobicContact CD-CG 4.25Å; K35-E118 HydrophobicContact CG-CG 3.95Å
36G82.1Confident93Very high52 Ų5244.8 Ų44.854%0.53627%0.265SS..SBendtrans139-175.4176.900000113.6A40G36-A40 WeakPolarHBondContact O-CB 3.49Å
37S76.4Confident93Very high127 Ų12741.4 Ų41.489%0.88825%0.246SC*.SBendtrans-80-23.8-178.851.10000113.9
38V80.6Confident93.1Very high63 Ų6334 Ų3438%0.38223%0.225SC..SBendtrans-117.7121.6-177.3-177.10000108.8A40 W136V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.41Å; V38-W136 HydrophobicContact CG1-CH2 3.5Å; V38-W136 HydrophobicContact CG1-CZ3 3.55Å
39G81.3Confident93.1Very high22 Ų2238.2 Ų38.223%0.22724%0.242CC..SBendtrans69.522.6177.700000115.2G41 S42G39-G41 PolarHBondContact O-N 3.16Å; G39-S42 WeakPolarHBondContact O-CB 3.37Å; G39-S42 PolarHBondContact O-N 2.84Å; G39-S42 VanDerWaalsContact O-N 3.17Å; G39-S42 PolarHBondContact O-OG 3.08Å
40A89.6Confident93.1Very high66 Ų6640.4 Ų40.455%0.54525%0.254SS..THydrogen-bonded Turntrans-55138.1175.900000112.3G36 V38 S42G36-A40 WeakPolarHBondContact O-CB 3.49Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.41Å; A40-S42 PolarHBondContact O-N 3.29Å
41G91.8Very high93.1Very high35 Ų3545.9 Ų45.936%0.36128%0.28SS..THydrogen-bonded Turntrans81.1-9-178.900000114.8R34 G39R34-G41 PolarHBondContact O-N 2.89Å; G39-G41 PolarHBondContact O-N 3.16Å
42S95.2Very high93.1Very high13 Ų1356.3 Ų56.39%0.09133%0.325CS..  trans-80.8151.2175.2690000112.4R34 G39 A40 Q133 F135R34-S42 PolarHBondContact N-O 2.94Å; G39-S42 WeakPolarHBondContact O-CB 3.37Å; G39-S42 PolarHBondContact O-N 2.84Å; G39-S42 VanDerWaalsContact O-N 3.17Å; G39-S42 PolarHBondContact O-OG 3.08Å; A40-S42 PolarHBondContact O-N 3.29Å; S42-Q133 CarbonylContact C-O 3.5Å; S42-Q133 WeakPolarHBondContact CA-O 3.4Å; S42-Q133 WeakPolarHBondContact CB-O 3.2Å; S42-F135 WeakPolarHBondContact OG-CB 3.24Å
43F97.4Very high93.1Very high44 Ų4459.6 Ų59.619%0.19336%0.359CS..EExtended strand (participates in β ladder)trans-80.9137.6174.7-69.2-80.4000111.7L31 G32 K33 P129 Q133 L134 F135L31-F43 HydrophobicContact CB-CD1 4.32Å; L31-F43 HydrophobicContact CD1-CB 4.43Å; G32-F43 CarbonylContact O-C 3.47Å; G32-F43 VanDerWaalsContact O-CA 3.24Å; G32-F43 WeakPolarHBondContact O-CA 3.49Å; K33-F43 HydrophobicContact CB-CD1 4.33Å; K33-F43 HydrophobicContact CB-CE1 4.27Å; K33-F43 HydrophobicContact CD-CE1 4.47Å; K33-F43 HydrophobicContact CD-CZ 4.45Å; F43-P129 HydrophobicContact CD2-CB 3.7Å; F43-P129 HydrophobicContact CD2-CG 3.6Å; F43-P129 HydrophobicContact CE2-CB 3.94Å; F43-P129 HydrophobicContact CE2-CG 3.81Å; F43-P129 HydrophobicContact CG-CG 4Å; F43-P129 HydrophobicContact CZ-CG 4.38Å; F43-Q133 HydrophobicContact CD2-CB 4.2Å; F43-Q133 PolarHBondContact N-O 2.86Å; F43-L134 HydrophobicContact CB-CD2 4.07Å; F43-F135 WeakPolarHBondContact O-CB 3.32Å; F43-F135 PolarHBondContact O-N 3.1Å
44Q97.4Very high93.3Very high7 Ų758.1 Ų58.13%0.03335%0.353CS..EExtended strand (participates in β ladder)trans-131.9160.9-178.367.7168.615.300112.3L31 G32 R34 W120 F135L31-Q44 WeakPolarHBondContact CA-O 3.36Å; G32-Q44 PolarHBondContact N-O 3.03Å; G32-Q44 WeakPolarHBondContact O-CG 3.22Å; G32-Q44 PolarHBondContact O-N 3.43Å; R34-Q44 HydrophobicContact CG-CB 3.82Å; R34-Q44 HydrophobicContact CG-CG 3.65Å; Q44-W120 HydrophobicContact CG-CH2 4.5Å; Q44-F135 HydrophobicContact CB-CB 4.26Å
45L98.3Very high93.6Very high14 Ų1458.1 Ų58.17%0.07336%0.361CS..  trans-81.2158.5160.2-60.6175.7000109.6V19 I29 L31 L96 L138 L141V19-L45 HydrophobicContact CG2-CD1 3.91Å; V19-L45 HydrophobicContact CG2-CD2 4.4Å; I29-L45 HydrophobicContact CD1-CD2 3.88Å; L31-L45 HydrophobicContact CD2-CD2 3.91Å; L45-L96 HydrophobicContact CD1-CD1 3.75Å; L45-L138 HydrophobicContact CD1-CD1 4.07Å; L45-L138 HydrophobicContact CD2-CD1 3.97Å; L45-L138 HydrophobicContact CD2-CD2 4.43Å; L45-L138 HydrophobicContact CG-CB 4.43Å; L45-L138 HydrophobicContact CG-CD1 3.92Å; L45-L138 HydrophobicContact CG-CD2 4.36Å; L45-L138 HydrophobicContact CG-CG 4.47Å; L45-L141 HydrophobicContact CD1-CD2 4.4Å
46P98.4Very high94Very high0 Ų059.9 Ų59.90%037%0.366CS..SBendtrans-54148156.6-18.930.2000110.8V18 V20 L30 E67 W120V18-P46 PolarHBondContact N-O 2.97Å; V18-P46 WeakPolarHBondContact O-CD 3.41Å; V20-P46 HydrophobicContact CG2-CG 4.13Å; L30-P46 HydrophobicContact CD2-CG 3.9Å; P46-E67 VanDerWaalsContact CA-OE2 3.24Å; P46-E67 WeakPolarHBondContact CA-OE2 3.35Å; P46-W120 HydrophobicContact CB-CH2 3.98Å; P46-W120 HydrophobicContact CB-CZ3 4.46Å; P46-W120 HydrophobicContact CG-CE3 4.37Å; P46-W120 HydrophobicContact CG-CH2 3.67Å; P46-W120 HydrophobicContact CG-CZ2 4.36Å; P46-W120 HydrophobicContact CG-CZ3 3.66Å
47G98.3Very high94.8Very high13 Ų1361.5 Ų61.513%0.13436%0.359CS..EExtended strand (participates in β ladder)trans139.2162.417600000115V16 E67V16-G47 CarbonylContact O-C 3.56Å; V16-G47 WeakPolarHBondContact O-CA 3.47Å; G47-E67 PolarHBondContact N-OE2 2.97Å
48G97.9Very high95.9Very high21 Ų2160 Ų6022%0.21634%0.338CS..EExtended strand (participates in β ladder)trans-156.1-147.6-174.900000112.8G15 V16 E63G15-G48 CarbonylContact C-O 3.46Å; G15-G48 WeakPolarHBondContact CA-O 3.12Å; V16-G48 PolarHBondContact N-O 2.75Å; V16-G48 PolarHBondContact O-N 3.15Å; V16-G48 VanDerWaalsContact O-N 3.11Å; G48-E63 VanDerWaalsContact CA-CD 3.46Å; G48-E63 WeakPolarHBondContact CA-OE1 3.22Å
49H98.6Very high96.7Very high104 Ų10457 Ų5748%0.48132%0.32SS..EExtended strand (participates in β ladder)trans-79.3139.9-176.5-70.287.2000110.7E51 C59 R62 Y92H49-E51 PolarHBondContact O-N 2.84Å; H49-C59 PolarHBondContact O-SG 3.21Å; H49-R62 PolarHBondContact O-NH2 2.98Å; H49-R62 VanDerWaalsContact O-NH2 3.14Å; H49-Y92 AromaticContact CD2-CE1 3.71Å; H49-Y92 AromaticContact NE2-CE1 3.43Å; H49-Y92 WeakPolarHBondContact NE2-CE1 3.21Å; H49-Y92 AromaticContact NE2-CZ 3.46Å; H49-Y92 PolarHBondContact NE2-OH 3.42Å
50L98.8Very high97.6Very high47 Ų4755.9 Ų55.925%0.24631%0.309CS..PPolyproline II helixtrans-75.1119.6168.4-177.664.7000108.9V14 V16 E54 C59V14-L50 HydrophobicContact CG1-CB 4.21Å; V14-L50 HydrophobicContact CG1-CD2 4.12Å; V14-L50 PolarHBondContact O-N 3.3Å; V16-L50 HydrophobicContact CG2-CB 4.33Å; V16-L50 HydrophobicContact CG2-CD1 4.21Å; L50-E54 HydrophobicContact CD1-CB 3.73Å; L50-C59 HydrophobicContact CD1-CB 3.67Å
51E98.7Very high98Very high115 Ų11556.2 Ų56.254%0.53730%0.299SS..PPolyproline II helixtrans-81.8164.4179-59.2-170.8165.800112.6H49 G53 E54H49-E51 PolarHBondContact O-N 2.84Å; E51-G53 PolarHBondContact O-N 3.19Å; E51-E54 HydrophobicContact CB-CG 3.96Å; E51-E54 VanDerWaalsContact CB-OE2 3.26Å; E51-E54 WeakPolarHBondContact CB-OE2 3.43Å; E51-E54 WeakPolarHBondContact CG-OE2 3.45Å; E51-E54 PolarHBondContact N-OE2 2.86Å; E51-E54 PolarHBondContact O-N 2.91Å
52F98.3Very high98.3Very high219 Ų21956.7 Ų56.796%0.96129%0.29SS*.THydrogen-bonded Turntrans-68.7119-179.8-177.2-91.1000110.9
53G98.4Very high98.5Very high71 Ų7157.1 Ų57.173%0.73229%0.291SS*.THydrogen-bonded Turntrans92.7-5.9179.500000114.2E51E51-G53 PolarHBondContact O-N 3.19Å
54E98.4Very high98.6Very high36 Ų3655 Ų5517%0.16828%0.282CS..  trans-73.4141.6174.1-79.6-169.1122.800112.4L50 E51 R62L50-E54 HydrophobicContact CD1-CB 3.73Å; E51-E54 HydrophobicContact CB-CG 3.96Å; E51-E54 VanDerWaalsContact CB-OE2 3.26Å; E51-E54 WeakPolarHBondContact CB-OE2 3.43Å; E51-E54 WeakPolarHBondContact CG-OE2 3.45Å; E51-E54 PolarHBondContact N-OE2 2.86Å; E51-E54 PolarHBondContact O-N 2.91Å; E54-R62 IonicContact OE1-CZ 3.95Å; E54-R62 IonicContact OE1-NE 3.41Å; E54-R62 PolarHBondContact OE1-NE 2.79Å; E54-R62 IonicContact OE1-NH2 2.81Å; E54-R62 PolarHBondContact OE1-NH2 2.85Å; E54-R62 IonicContact OE2-CZ 2.72Å; E54-R62 IonicContact OE2-NE 3.47Å; E54-R62 IonicContact OE2-NH2 3.72Å; E54-R62 PolarHBondContact OE2-NH2 3.15Å
55T98.9Very high98.6Very high70 Ų7060.7 Ų60.743%0.42930%0.303SS..  trans-75161.1157.267.20000110.6E57 E58 C59T55-E57 VanDerWaalsContact C-N 3.28Å; T55-E57 PolarHBondContact O-N 2.97Å; T55-E58 WeakPolarHBondContact CB-OE2 3.48Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.32Å; T55-E58 PolarHBondContact N-OE2 3.41Å; T55-E58 PolarHBondContact O-N 2.88Å; T55-E58 WeakPolarHBondContact OG1-CB 3.41Å; T55-E58 WeakPolarHBondContact OG1-CG 3.06Å; T55-E58 PolarHBondContact OG1-N 3.27Å; T55-E58 VanDerWaalsContact OG1-N 3.14Å; T55-E58 PolarHBondContact OG1-OE2 2.93Å; T55-C59 PolarHBondContact O-N 3.16Å; T55-C59 VanDerWaalsContact O-N 3.1Å
56W98.9Very high98.6Very high119 Ų11963.8 Ų63.845%0.45132%0.317SS..Hα-helixtrans-67.7-30.6177.7-52.3-18.6000112.6A60 F77 I95 M97W56-A60 WeakPolarHBondContact O-CB 3.33Å; W56-A60 PolarHBondContact O-N 3Å; W56-F77 HydrophobicContact CE3-CD2 4.14Å; W56-F77 AromaticContact CZ3-CD2 3.8Å; W56-F77 HydrophobicContact CZ3-CD2 3.8Å; W56-F77 HydrophobicContact CZ3-CE2 4.16Å; W56-I95 HydrophobicContact CB-CG2 4.43Å; W56-I95 HydrophobicContact CD2-CD1 4.08Å; W56-I95 HydrophobicContact CD2-CG2 3.89Å; W56-I95 HydrophobicContact CE3-CG2 3.81Å; W56-I95 HydrophobicContact CG-CD1 4.24Å; W56-I95 HydrophobicContact CG-CG2 4.18Å; W56-I95 HydrophobicContact CZ2-CD1 4.06Å; W56-I95 HydrophobicContact CZ3-CG2 4.35Å; W56-M97 HydrophobicContact CB-CE 4.08Å; W56-M97 HydrophobicContact CB-CG 4.34Å; W56-M97 HydrophobicContact CB-SD 3.79Å; W56-M97 HydrophobicContact CE3-SD 4.3Å
57E98.9Very high98.6Very high85 Ų8564.6 Ų64.640%0.39732%0.321SS..Hα-helixtrans-67.7-46.1174.8174.4169.7-138.500111.1T55 C59 A60 Q61 V75T55-E57 VanDerWaalsContact C-N 3.28Å; T55-E57 PolarHBondContact O-N 2.97Å; E57-C59 PolarHBondContact O-N 3.2Å; E57-A60 PolarHBondContact O-N 3.49Å; E57-Q61 HydrophobicContact CG-CG 4.41Å; E57-Q61 WeakPolarHBondContact O-CG 3.46Å; E57-Q61 PolarHBondContact O-N 3.11Å; E57-Q61 PolarHBondContact OE1-NE2 3.14Å; E57-V75 HydrophobicContact CB-CG1 4.35Å; E57-V75 HydrophobicContact CG-CB 3.94Å; E57-V75 HydrophobicContact CG-CG1 4.02Å
58E98.9Very high98.6Very high95 Ų9564 Ų6444%0.44431%0.314SS..Hα-helixtrans-58.8-47.7176.4-74.7161.415200111.3T55 A60 Q61 R62T55-E58 WeakPolarHBondContact CB-OE2 3.48Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.32Å; T55-E58 PolarHBondContact N-OE2 3.41Å; T55-E58 PolarHBondContact O-N 2.88Å; T55-E58 WeakPolarHBondContact OG1-CB 3.41Å; T55-E58 WeakPolarHBondContact OG1-CG 3.06Å; T55-E58 PolarHBondContact OG1-N 3.27Å; T55-E58 VanDerWaalsContact OG1-N 3.14Å; T55-E58 PolarHBondContact OG1-OE2 2.93Å; E58-A60 VanDerWaalsContact C-N 3.35Å; E58-A60 PolarHBondContact O-N 3.18Å; E58-Q61 PolarHBondContact O-N 2.79Å; E58-R62 VanDerWaalsContact O-CB 3.28Å; E58-R62 WeakPolarHBondContact O-CB 3.38Å; E58-R62 PolarHBondContact O-N 3.08Å
59C98.9Very high98.7Very high0 Ų063.6 Ų63.60%031%0.309CS..Hα-helixtrans-60.7-43.2177.3-178.80000111.8V16 H49 L50 T55 E57 Q61 R62 E63V16-C59 HydrophobicContact CB-CB 4.31Å; V16-C59 HydrophobicContact CG2-CB 3.93Å; V16-C59 VanDerWaalsContact CG2-SG 3.57Å; H49-C59 PolarHBondContact O-SG 3.21Å; L50-C59 HydrophobicContact CD1-CB 3.67Å; T55-C59 PolarHBondContact O-N 3.16Å; T55-C59 VanDerWaalsContact O-N 3.1Å; E57-C59 PolarHBondContact O-N 3.2Å; C59-Q61 PolarHBondContact O-N 3.17Å; C59-R62 PolarHBondContact O-N 2.9Å; C59-E63 WeakPolarHBondContact O-CB 3.45Å; C59-E63 VanDerWaalsContact O-CG 3.27Å; C59-E63 WeakPolarHBondContact O-CG 3.06Å; C59-E63 PolarHBondContact O-N 3.2Å
60A98.9Very high98.7Very high0 Ų058.6 Ų58.60%029%0.286CS..Hα-helixtrans-62.8-42176.900000112.8V16 V18 W56 E57 E58 T64 V75 M97V16-A60 HydrophobicContact CG1-CB 4.1Å; V18-A60 HydrophobicContact CG1-CB 4.27Å; V18-A60 HydrophobicContact CG2-CB 3.64Å; W56-A60 WeakPolarHBondContact O-CB 3.33Å; W56-A60 PolarHBondContact O-N 3Å; E57-A60 PolarHBondContact O-N 3.49Å; E58-A60 VanDerWaalsContact C-N 3.35Å; E58-A60 PolarHBondContact O-N 3.18Å; A60-T64 VanDerWaalsContact O-CB 3.26Å; A60-T64 WeakPolarHBondContact O-CB 3.24Å; A60-T64 PolarHBondContact O-N 3.42Å; A60-T64 PolarHBondContact O-OG1 3.42Å; A60-V75 HydrophobicContact CB-CG1 4.12Å; A60-M97 HydrophobicContact CB-CB 3.84Å; A60-M97 HydrophobicContact CB-CG 3.93Å
61Q98.9Very high98.7Very high73 Ų7359.6 Ų59.634%0.34129%0.289SS..Hα-helixtrans-69.3-45.7178-70.5177.61.400111.6E57 E58 C59 W65 L72 V75E57-Q61 HydrophobicContact CG-CG 4.41Å; E57-Q61 WeakPolarHBondContact O-CG 3.46Å; E57-Q61 PolarHBondContact O-N 3.11Å; E57-Q61 PolarHBondContact OE1-NE2 3.14Å; E58-Q61 PolarHBondContact O-N 2.79Å; C59-Q61 PolarHBondContact O-N 3.17Å; Q61-W65 WeakPolarHBondContact O-CB 3.45Å; Q61-W65 PolarHBondContact O-N 2.99Å; Q61-L72 HydrophobicContact CG-CB 4.41Å; Q61-V75 HydrophobicContact CG-CG2 4.08Å
62R98.8Very high98.7Very high45 Ų4555 Ų5517%0.1727%0.268CS..Hα-helixtrans-59.4-55.7178.8176.418054.870.50.6111.1H49 E54 E58 C59 T64 W65 E66H49-R62 PolarHBondContact O-NH2 2.98Å; H49-R62 VanDerWaalsContact O-NH2 3.14Å; E54-R62 IonicContact OE1-CZ 3.95Å; E54-R62 IonicContact OE1-NE 3.41Å; E54-R62 PolarHBondContact OE1-NE 2.79Å; E54-R62 IonicContact OE1-NH2 2.81Å; E54-R62 PolarHBondContact OE1-NH2 2.85Å; E54-R62 IonicContact OE2-CZ 2.72Å; E54-R62 IonicContact OE2-NE 3.47Å; E54-R62 IonicContact OE2-NH2 3.72Å; E54-R62 PolarHBondContact OE2-NH2 3.15Å; E58-R62 VanDerWaalsContact O-CB 3.28Å; E58-R62 WeakPolarHBondContact O-CB 3.38Å; E58-R62 PolarHBondContact O-N 3.08Å; C59-R62 PolarHBondContact O-N 2.9Å; R62-T64 VanDerWaalsContact C-N 3.35Å; R62-T64 PolarHBondContact O-N 3.3Å; R62-W65 WeakPolarHBondContact O-CB 3.47Å; R62-W65 PolarHBondContact O-N 2.64Å; R62-W65 VanDerWaalsContact O-N 3.13Å; R62-E66 WeakPolarHBondContact CD-OE1 3.38Å; R62-E66 VanDerWaalsContact CG-CD 3.45Å; R62-E66 HydrophobicContact CG-CG 4.21Å; R62-E66 WeakPolarHBondContact CG-OE1 3.18Å; R62-E66 IonicContact NH1-OE2 2.74Å; R62-E66 PolarHBondContact NH1-OE2 2.83Å; R62-E66 WeakPolarHBondContact O-CB 3.24Å; R62-E66 WeakPolarHBondContact O-CG 3.43Å; R62-E66 PolarHBondContact O-N 3.25Å
63E98.7Very high98.7Very high22 Ų2248 Ų4810%0.10324%0.237CC..Hα-helixtrans-63.9-40.5-177-67.7-76.6176.400111.5G48 C59 W65 E66 E67G48-E63 VanDerWaalsContact CA-CD 3.46Å; G48-E63 WeakPolarHBondContact CA-OE1 3.22Å; C59-E63 WeakPolarHBondContact O-CB 3.45Å; C59-E63 VanDerWaalsContact O-CG 3.27Å; C59-E63 WeakPolarHBondContact O-CG 3.06Å; C59-E63 PolarHBondContact O-N 3.2Å; E63-W65 VanDerWaalsContact C-N 3.27Å; E63-W65 PolarHBondContact O-N 2.76Å; E63-E66 PolarHBondContact O-N 2.77Å; E63-E67 WeakPolarHBondContact O-CB 3.37Å; E63-E67 WeakPolarHBondContact O-CG 3.35Å; E63-E67 PolarHBondContact O-N 3.43Å
64T98.8Very high98.7Very high0 Ų049 Ų490%023%0.226CC..Hα-helixtrans-63.9-35.9176.2-56.80000111.8V20 A60 R62 A68 A69 L70 L72V20-T64 HydrophobicContact CG2-CG2 4Å; A60-T64 VanDerWaalsContact O-CB 3.26Å; A60-T64 WeakPolarHBondContact O-CB 3.24Å; A60-T64 PolarHBondContact O-N 3.42Å; A60-T64 PolarHBondContact O-OG1 3.42Å; R62-T64 VanDerWaalsContact C-N 3.35Å; R62-T64 PolarHBondContact O-N 3.3Å; T64-A68 WeakPolarHBondContact O-CA 3.28Å; T64-A68 WeakPolarHBondContact O-CB 3.32Å; T64-A68 PolarHBondContact O-N 3.45Å; T64-A69 PolarHBondContact O-N 3.09Å; T64-L70 HydrophobicContact CG2-CB 3.99Å; T64-L72 HydrophobicContact CG2-CD1 3.88Å; T64-L72 HydrophobicContact CG2-CD2 4.04Å; T64-L72 HydrophobicContact CG2-CG 3.9Å; T64-L72 WeakPolarHBondContact OG1-CD1 3.42Å
65W98.7Very high98.7Very high125 Ų12548.1 Ų48.147%0.47322%0.223SC..Hα-helixtrans-69.3-48.3174.1175.9-106.8000112Q61 R62 E63 E67 A69 H71Q61-W65 WeakPolarHBondContact O-CB 3.45Å; Q61-W65 PolarHBondContact O-N 2.99Å; R62-W65 WeakPolarHBondContact O-CB 3.47Å; R62-W65 PolarHBondContact O-N 2.64Å; R62-W65 VanDerWaalsContact O-N 3.13Å; E63-W65 VanDerWaalsContact C-N 3.27Å; E63-W65 PolarHBondContact O-N 2.76Å; W65-E67 PolarHBondContact O-N 3.19Å; W65-A69 HydrophobicContact CZ3-CB 4.41Å; W65-A69 WeakPolarHBondContact CZ3-O 3.33Å; W65-A69 WeakPolarHBondContact O-CA 3.26Å; W65-A69 PolarHBondContact O-N 2.91Å; W65-H71 AromaticContact CE3-CD2 3.92Å; W65-H71 AromaticContact CE3-CE1 3.77Å; W65-H71 AromaticContact CE3-NE2 3.64Å; W65-H71 AromaticContact CH2-NE2 3.45Å; W65-H71 WeakPolarHBondContact CH2-NE2 3.27Å; W65-H71 AromaticContact CZ3-CD2 3.46Å; W65-H71 VanDerWaalsContact CZ3-CD2 3.46Å; W65-H71 WeakPolarHBondContact CZ3-CD2 3.33Å; W65-H71 AromaticContact CZ3-CE1 3.64Å; W65-H71 AromaticContact CZ3-NE2 3.06Å; W65-H71 WeakPolarHBondContact CZ3-NE2 3.36Å
66E98.3Very high98.7Very high79 Ų7948.2 Ų48.237%0.36922%0.216SC..Hα-helixtrans-61.1-42.8-179.1-74.9173.1173.800112.1R62 E63 V112R62-E66 WeakPolarHBondContact CD-OE1 3.38Å; R62-E66 VanDerWaalsContact CG-CD 3.45Å; R62-E66 HydrophobicContact CG-CG 4.21Å; R62-E66 WeakPolarHBondContact CG-OE1 3.18Å; R62-E66 IonicContact NH1-OE2 2.74Å; R62-E66 PolarHBondContact NH1-OE2 2.83Å; R62-E66 WeakPolarHBondContact O-CB 3.24Å; R62-E66 WeakPolarHBondContact O-CG 3.43Å; R62-E66 PolarHBondContact O-N 3.25Å; E63-E66 PolarHBondContact O-N 2.77Å; E66-V112 WeakPolarHBondContact O-CB 3.33Å; E66-V112 WeakPolarHBondContact O-CG1 3.17Å
67E98.2Very high98.7Very high17 Ų1745.8 Ų45.88%0.07921%0.208CC..Hα-helixtrans-92.6-33.4-173.7-60.1-172.9137.600114P46 G47 E63 W65 V112 W120P46-E67 VanDerWaalsContact CA-OE2 3.24Å; P46-E67 WeakPolarHBondContact CA-OE2 3.35Å; G47-E67 PolarHBondContact N-OE2 2.97Å; E63-E67 WeakPolarHBondContact O-CB 3.37Å; E63-E67 WeakPolarHBondContact O-CG 3.35Å; E63-E67 PolarHBondContact O-N 3.43Å; W65-E67 PolarHBondContact O-N 3.19Å; E67-V112 PolarHBondContact O-N 3.01Å; E67-W120 HydrophobicContact CB-CZ2 3.93Å; E67-W120 PolarHBondContact O-NE1 3.22Å
68A98.4Very high98.7Very high0 Ų041.9 Ų41.90%019%0.191CC..Hα-helixtrans-121.4-5.2-170.900000114.6L30 T64 L70 P109 K110 W120L30-A68 HydrophobicContact CD2-CB 4.07Å; T64-A68 WeakPolarHBondContact O-CA 3.28Å; T64-A68 WeakPolarHBondContact O-CB 3.32Å; T64-A68 PolarHBondContact O-N 3.45Å; A68-L70 HydrophobicContact CB-CD1 4.3Å; A68-L70 HydrophobicContact CB-CG 4.39Å; A68-L70 PolarHBondContact O-N 2.86Å; A68-P109 HydrophobicContact CB-CB 4.33Å; A68-P109 WeakPolarHBondContact O-CA 3.26Å; A68-K110 CarbonylContact C-O 3.43Å; A68-K110 VanDerWaalsContact CA-O 3.28Å; A68-K110 WeakPolarHBondContact CA-O 3.36Å; A68-K110 PolarHBondContact O-N 3.4Å; A68-W120 HydrophobicContact CB-CD2 4.46Å
69A98.5Very high98.7Very high13 Ų1337.4 Ų37.411%0.10717%0.169CC..  trans52.534.2-17500000114.2T64 W65 K110 V112T64-A69 PolarHBondContact O-N 3.09Å; W65-A69 HydrophobicContact CZ3-CB 4.41Å; W65-A69 WeakPolarHBondContact CZ3-O 3.33Å; W65-A69 WeakPolarHBondContact O-CA 3.26Å; W65-A69 PolarHBondContact O-N 2.91Å; A69-K110 HydrophobicContact CB-CB 3.97Å; A69-K110 HydrophobicContact CB-CD 4.03Å; A69-K110 HydrophobicContact CB-CG 4.26Å; A69-V112 HydrophobicContact CB-CG2 3.79Å
70L98.8Very high98.7Very high0 Ų039.6 Ų39.60%018%0.183CC..  trans-108.8133.1178.1-70.8172.9000110.8L30 T64 A68 V101 P109 W122L30-L70 HydrophobicContact CD2-CD1 3.79Å; T64-L70 HydrophobicContact CG2-CB 3.99Å; A68-L70 HydrophobicContact CB-CD1 4.3Å; A68-L70 HydrophobicContact CB-CG 4.39Å; A68-L70 PolarHBondContact O-N 2.86Å; L70-V101 HydrophobicContact CD1-CG2 4.12Å; L70-V101 HydrophobicContact CD2-CG1 4.12Å; L70-V101 HydrophobicContact CD2-CG2 4.42Å; L70-P109 HydrophobicContact CD1-CB 4.06Å; L70-P109 HydrophobicContact CG-CB 4.49Å; L70-W122 HydrophobicContact CD1-CH2 4.47Å; L70-W122 HydrophobicContact CD1-CZ2 4.32Å
71H98.8Very high98.7Very high67 Ų6739.7 Ų39.731%0.3118%0.184SC..  trans-83.7137.4167.6-68-83.2000110W65 D102 H105W65-H71 AromaticContact CE3-CD2 3.92Å; W65-H71 AromaticContact CE3-CE1 3.77Å; W65-H71 AromaticContact CE3-NE2 3.64Å; W65-H71 AromaticContact CH2-NE2 3.45Å; W65-H71 WeakPolarHBondContact CH2-NE2 3.27Å; W65-H71 AromaticContact CZ3-CD2 3.46Å; W65-H71 VanDerWaalsContact CZ3-CD2 3.46Å; W65-H71 WeakPolarHBondContact CZ3-CD2 3.33Å; W65-H71 AromaticContact CZ3-CE1 3.64Å; W65-H71 AromaticContact CZ3-NE2 3.06Å; W65-H71 WeakPolarHBondContact CZ3-NE2 3.36Å; H71-D102 HydrophobicContact CB-CB 4.29Å; H71-D102 PolarHBondContact O-N 3.4Å; H71-H105 HydrophobicContact CB-CB 4.44Å; H71-H105 AromaticContact CD2-CD2 3.56Å; H71-H105 AromaticContact CD2-CG 3.47Å; H71-H105 VanDerWaalsContact CD2-CG 3.47Å; H71-H105 AromaticContact CG-CG 3.95Å; H71-H105 AromaticContact NE2-CD2 3.74Å
72L98.9Very high98.7Very high18 Ų1837.8 Ų37.89%0.09418%0.176CC..EExtended strand (participates in β ladder)trans-110.3151.5178.8-61.7-177.1000112V18 V20 Q61 T64 V75 E100V18-L72 HydrophobicContact CG1-CD1 3.74Å; V20-L72 HydrophobicContact CG1-CD2 3.75Å; V20-L72 HydrophobicContact CG2-CD1 4.39Å; V20-L72 HydrophobicContact CG2-CD2 4.15Å; Q61-L72 HydrophobicContact CG-CB 4.41Å; T64-L72 HydrophobicContact CG2-CD1 3.88Å; T64-L72 HydrophobicContact CG2-CD2 4.04Å; T64-L72 HydrophobicContact CG2-CG 3.9Å; T64-L72 WeakPolarHBondContact OG1-CD1 3.42Å; L72-V75 HydrophobicContact CB-CG2 3.69Å; L72-V75 HydrophobicContact CD1-CG2 4.28Å; L72-E100 CarbonylContact C-O 3.56Å; L72-E100 WeakPolarHBondContact CA-O 3.45Å
73K98.8Very high98.6Very high73 Ų7335.7 Ų35.732%0.31717%0.168SC..EExtended strand (participates in β ladder)trans-134.6170.116764.4-179.1166.7-153.40110.7V75 E100 D102K73-V75 PolarHBondContact O-N 2.75Å; K73-V75 VanDerWaalsContact O-N 3.16Å; K73-E100 HydrophobicContact CG-CB 4.22Å; K73-E100 PolarHBondContact N-O 3.33Å; K73-E100 PolarHBondContact O-N 2.9Å; K73-D102 HydrophobicContact CB-CB 4.39Å; K73-D102 HydrophobicContact CD-CB 4.14Å; K73-D102 HydrophobicContact CG-CB 4.22Å; K73-D102 IonicContact NZ-OD1 2.83Å; K73-D102 PolarHBondContact NZ-OD1 3.03Å
74N98.6Very high98.6Very high93 Ų9337.6 Ų37.650%0.49718%0.176SC..EExtended strand (participates in β ladder)trans5334.9179.7-58.1-29.2000112.5R76 E100N74-R76 PolarHBondContact O-N 2.77Å; N74-R76 PolarHBondContact O-NH1 3.25Å; N74-E100 PolarHBondContact ND2-OE2 2.91Å
75V98.9Very high98.4Very high16 Ų1639.1 Ų39.110%0.09718%0.184CC..EExtended strand (participates in β ladder)trans-70.7127.1-176.6-177.30000108.6E57 A60 Q61 L72 K73 M97 K98E57-V75 HydrophobicContact CB-CG1 4.35Å; E57-V75 HydrophobicContact CG-CB 3.94Å; E57-V75 HydrophobicContact CG-CG1 4.02Å; A60-V75 HydrophobicContact CB-CG1 4.12Å; Q61-V75 HydrophobicContact CG-CG2 4.08Å; L72-V75 HydrophobicContact CB-CG2 3.69Å; L72-V75 HydrophobicContact CD1-CG2 4.28Å; K73-V75 PolarHBondContact O-N 2.75Å; K73-V75 VanDerWaalsContact O-N 3.16Å; V75-M97 HydrophobicContact CG1-CB 4.15Å; V75-M97 HydrophobicContact CG1-CE 4.03Å; V75-K98 CarbonylContact C-O 3.56Å; V75-K98 VanDerWaalsContact CA-O 3.28Å; V75-K98 WeakPolarHBondContact CA-O 3.48Å
76R98.8Very high98.2Very high73 Ų7340.4 Ų40.428%0.27520%0.195SC..EExtended strand (participates in β ladder)trans-146.8159.4-175.259.3-171.7177-85.312.6111.3N74 M97 K98 E100 E151N74-R76 PolarHBondContact O-N 2.77Å; N74-R76 PolarHBondContact O-NH1 3.25Å; R76-M97 CarbonylContact O-C 3.51Å; R76-M97 WeakPolarHBondContact O-CA 3.04Å; R76-K98 VanDerWaalsContact CZ-CE 3.41Å; R76-K98 PolarHBondContact N-O 3.14Å; R76-K98 PolarHBondContact O-N 3.38Å; R76-E100 IonicContact CZ-OE1 3.93Å; R76-E100 IonicContact NH1-OE1 3.2Å; R76-E100 PolarHBondContact NH1-OE1 3.15Å; R76-E100 VanDerWaalsContact NH1-OE1 3.13Å; R76-E100 IonicContact NH2-OE1 3.32Å; R76-E151 IonicContact CZ-OE1 2.84Å; R76-E151 IonicContact CZ-OE2 2.88Å; R76-E151 VanDerWaalsContact CZ-OE2 3.32Å; R76-E151 IonicContact NE-OE2 3.85Å; R76-E151 PolarHBondContact NE-OE2 2.86Å; R76-E151 VanDerWaalsContact NH2-CD 3.26Å; R76-E151 IonicContact NH2-OE1 2.96Å; R76-E151 PolarHBondContact NH2-OE1 3.05Å; R76-E151 IonicContact NH2-OE2 3.57Å; R76-E151 PolarHBondContact NH2-OE2 3.17Å
77F98.9Very high97.9Very high68 Ų6846 Ų4630%0.29822%0.218SC..EExtended strand (participates in β ladder)trans-60.8137.8174.8177.9-98.6000111.1W56 S79 V80 I95 M97 L153 L156W56-F77 HydrophobicContact CE3-CD2 4.14Å; W56-F77 AromaticContact CZ3-CD2 3.8Å; W56-F77 HydrophobicContact CZ3-CD2 3.8Å; W56-F77 HydrophobicContact CZ3-CE2 4.16Å; F77-S79 VanDerWaalsContact CE2-C 3.48Å; F77-S79 WeakPolarHBondContact CE2-O 3.42Å; F77-S79 WeakPolarHBondContact CZ-O 3.24Å; F77-V80 HydrophobicContact CE2-CB 4.38Å; F77-V80 HydrophobicContact CZ-CB 4.38Å; F77-V80 HydrophobicContact CZ-CG1 4.41Å; F77-I95 HydrophobicContact CD2-CG2 4.34Å; F77-I95 HydrophobicContact CE2-CG2 4.35Å; F77-M97 HydrophobicContact CB-SD 4.46Å; F77-L153 HydrophobicContact CD1-CD1 3.98Å; F77-L153 HydrophobicContact CD1-CD2 4.33Å; F77-L153 HydrophobicContact CE1-CD1 4.08Å; F77-L153 HydrophobicContact CE1-CD2 4.43Å; F77-L156 HydrophobicContact CE1-CD1 3.87Å; F77-L156 HydrophobicContact CZ-CD1 4.02Å
78A98.8Very high97.6Very high3 Ų350.3 Ų50.33%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-120.5-47.1177.800000112.3L96 K98 Y146 L153 H155A78-L96 WeakPolarHBondContact CA-O 3.49Å; A78-L96 HydrophobicContact CB-CB 4.32Å; A78-L96 WeakPolarHBondContact CB-O 3.4Å; A78-L96 PolarHBondContact N-O 3.04Å; A78-K98 HydrophobicContact CB-CB 4.01Å; A78-Y146 HydrophobicContact CB-CE2 3.95Å; A78-Y146 WeakPolarHBondContact CB-OH 3.21Å; A78-L153 WeakPolarHBondContact O-CD2 3.21Å; A78-H155 PolarHBondContact O-CE1 3.41Å; A78-H155 VanDerWaalsContact O-CE1 3.25Å; A78-H155 PolarHBondContact O-NE2 3.48Å
79S98.8Very high97.3Very high0 Ų057.9 Ų57.90%027%0.271CS..EExtended strand (participates in β ladder)trans-163.9179.5177.7-1560000112.7F77 L96 L141 Q144 H155 L156F77-S79 VanDerWaalsContact CE2-C 3.48Å; F77-S79 WeakPolarHBondContact CE2-O 3.42Å; F77-S79 WeakPolarHBondContact CZ-O 3.24Å; S79-L96 PolarHBondContact N-O 3.1Å; S79-L96 VanDerWaalsContact N-O 3.08Å; S79-L96 PolarHBondContact O-N 3.39Å; S79-L141 VanDerWaalsContact CB-CD1 3.43Å; S79-Q144 PolarHBondContact OG-OE1 2.92Å; S79-H155 PolarHBondContact OG-CD2 3.26Å; S79-H155 PolarHBondContact OG-NE2 2.72Å; S79-L156 WeakPolarHBondContact OG-CD2 3.39Å
80V98.9Very high97.1Very high47 Ų4758.8 Ų58.829%0.28527%0.272SS..EExtended strand (participates in β ladder)trans-143.5140.8165.263.40000109.2F77 V93 T94 I95 Q144 L156F77-V80 HydrophobicContact CE2-CB 4.38Å; F77-V80 HydrophobicContact CZ-CB 4.38Å; F77-V80 HydrophobicContact CZ-CG1 4.41Å; V80-V93 HydrophobicContact CG2-CG1 3.8Å; V80-T94 CarbonylContact C-O 3.59Å; V80-T94 WeakPolarHBondContact CA-O 3.36Å; V80-I95 HydrophobicContact CG2-CG1 4.23Å; V80-Q144 PolarHBondContact O-NE2 3.41Å; V80-L156 HydrophobicContact CG1-CD2 4.43Å
81V98.7Very high97.1Very high2 Ų261.4 Ų61.41%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-131.2145.9-178-61.70000111.7V93 T94 L96 C140 Y159V81-V93 WeakPolarHBondContact O-CA 3.48Å; V81-T94 PolarHBondContact N-O 2.81Å; V81-T94 PolarHBondContact O-N 2.94Å; V81-L96 HydrophobicContact CG1-CD2 4.16Å; V81-L96 HydrophobicContact CG2-CD2 3.88Å; V81-C140 HydrophobicContact CB-CB 3.59Å; V81-C140 HydrophobicContact CG1-CB 3.56Å; V81-C140 HydrophobicContact CG2-CB 3.93Å; V81-Y159 WeakPolarHBondContact CA-OH 3.4Å
82N98.6Very high97.1Very high33 Ų3360.5 Ų60.518%0.17628%0.278CS..EExtended strand (participates in β ladder)trans-98.5104.3167.4-17744.8000109.3H91 Y159 G161N82-H91 PolarHBondContact OD1-NE2 2.97Å; N82-Y159 PolarHBondContact N-OH 2.96Å; N82-G161 PolarHBondContact ND2-O 2.96Å
83S97.7Very high97.1Very high1 Ų162 Ų621%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-104.991.6-177.2-60.50000109.9H91 Y92 C140S83-H91 WeakPolarHBondContact O-CA 3.35Å; S83-Y92 PolarHBondContact N-O 3.36Å; S83-Y92 PolarHBondContact O-N 3.13Å; S83-C140 PolarHBondContact OG-SG 3.48Å
84F97.4Very high97.1Very high62 Ų6259.2 Ų59.227%0.27228%0.277SS..EExtended strand (participates in β ladder)trans-110.1118.4175.3172.7-107.8000110.6E86 Y90 H91 H163F84-E86 HydrophobicContact CE1-CB 3.83Å; F84-E86 HydrophobicContact CZ-CB 3.76Å; F84-E86 HydrophobicContact CZ-CG 4.14Å; F84-Y90 WeakPolarHBondContact CA-O 3.43Å; F84-H91 HydrophobicContact CD2-CB 3.96Å; F84-H91 AromaticContact CD2-CG 3.83Å; F84-H91 AromaticContact CD2-ND1 3.73Å; F84-H163 HydrophobicContact CD1-CB 4.44Å; F84-H163 AromaticContact CD1-CD2 3.69Å; F84-H163 AromaticContact CD1-CE1 3.73Å; F84-H163 AromaticContact CD1-CG 3.69Å; F84-H163 AromaticContact CD1-ND1 3.72Å; F84-H163 AromaticContact CD1-NE2 3.73Å
85I95Very high97.1Very high31 Ų3155.3 Ų55.316%0.15926%0.256CS..EExtended strand (participates in β ladder)trans-125.395.2-178.7-46.3-67000107.8K87 E88 K89 Y90 W136I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 2.92Å; I85-E88 HydrophobicContact CB-CB 4.2Å; I85-E88 HydrophobicContact CB-CG 4.43Å; I85-E88 HydrophobicContact CG2-CB 3.88Å; I85-E88 HydrophobicContact CG2-CG 3.61Å; I85-E88 PolarHBondContact O-N 3.24Å; I85-K89 PolarHBondContact O-N 2.92Å; I85-K89 VanDerWaalsContact O-N 3.15Å; I85-Y90 HydrophobicContact CG1-CD1 4.24Å; I85-Y90 PolarHBondContact N-O 3.47Å; I85-Y90 PolarHBondContact O-N 3.42Å; I85-Y90 VanDerWaalsContact O-N 3.13Å; I85-W136 HydrophobicContact CD1-CB 4.39Å; I85-W136 VanDerWaalsContact CD1-CD1 3.49Å; I85-W136 HydrophobicContact CD1-CD2 4.38Å; I85-W136 HydrophobicContact CD1-CG 3.85Å; I85-W136 HydrophobicContact CG1-CB 4.3Å; I85-W136 HydrophobicContact CG1-CD2 3.68Å; I85-W136 HydrophobicContact CG1-CE3 4.32Å; I85-W136 HydrophobicContact CG1-CG 3.62Å; I85-W136 HydrophobicContact CG2-CZ2 4.36Å
86E93.7Very high97.1Very high152 Ų15254.6 Ų54.671%0.7125%0.252SS*.G310 helixtrans-56.9-45.7-172.9-174.1175.5-16100112.5F84 E88 K89F84-E86 HydrophobicContact CE1-CB 3.83Å; F84-E86 HydrophobicContact CZ-CB 3.76Å; F84-E86 HydrophobicContact CZ-CG 4.14Å; E86-E88 PolarHBondContact O-N 2.9Å; E86-K89 PolarHBondContact O-N 2.77Å
87K92.8Very high97.1Very high198 Ų19851.6 Ų51.686%0.86124%0.241SC*.G310 helixtrans-58.7-32.4-178.3-57.1-178.4-175.1176.80112.7I85I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 2.92Å
88E91.6Very high97.1Very high107 Ų10748.7 Ų48.750%0.523%0.228SC..G310 helixtrans-96.1-1.5-177.8-60.7-65.8158.600112.2I85 E86 Y90 W136I85-E88 HydrophobicContact CB-CB 4.2Å; I85-E88 HydrophobicContact CB-CG 4.43Å; I85-E88 HydrophobicContact CG2-CB 3.88Å; I85-E88 HydrophobicContact CG2-CG 3.61Å; I85-E88 PolarHBondContact O-N 3.24Å; E86-E88 PolarHBondContact O-N 2.9Å; E88-Y90 PolarHBondContact O-N 2.99Å; E88-Y90 VanDerWaalsContact O-N 3.17Å; E88-W136 HydrophobicContact CB-CH2 3.89Å; E88-W136 HydrophobicContact CB-CZ2 4.19Å; E88-W136 HydrophobicContact CG-CH2 3.73Å; E88-W136 HydrophobicContact CG-CZ2 3.59Å
89K93.3Very high97.1Very high159 Ų15948.6 Ų48.669%0.69123%0.227SC*.THydrogen-bonded Turntrans48.141.8-171.2-58.3178.2179.81770110.9R10 I85 E86R10-K89 VanDerWaalsContact CZ-O 3.31Å; R10-K89 PolarHBondContact NH1-O 2.83Å; R10-K89 PolarHBondContact NH2-O 3.19Å; I85-K89 PolarHBondContact O-N 2.92Å; I85-K89 VanDerWaalsContact O-N 3.15Å; E86-K89 PolarHBondContact O-N 2.77Å
90Y94.4Very high97.1Very high32 Ų3251.3 Ų51.313%0.12524%0.24CC..EExtended strand (participates in β ladder)trans-110.6130.7-176.5178.8-86.9000109.9F84 I85 E88 Y92 F135 W136F84-Y90 WeakPolarHBondContact CA-O 3.43Å; I85-Y90 HydrophobicContact CG1-CD1 4.24Å; I85-Y90 PolarHBondContact N-O 3.47Å; I85-Y90 PolarHBondContact O-N 3.42Å; I85-Y90 VanDerWaalsContact O-N 3.13Å; E88-Y90 PolarHBondContact O-N 2.99Å; E88-Y90 VanDerWaalsContact O-N 3.17Å; Y90-Y92 HydrophobicContact CD1-CD2 4.42Å; Y90-Y92 AromaticContact CD2-CD2 3.95Å; Y90-Y92 HydrophobicContact CD2-CD2 3.95Å; Y90-Y92 HydrophobicContact CD2-CE2 4.21Å; Y90-Y92 AromaticContact CE1-CD2 3.85Å; Y90-Y92 HydrophobicContact CE1-CD2 3.85Å; Y90-Y92 HydrophobicContact CE1-CG 4.24Å; Y90-Y92 AromaticContact CE2-CD2 3.31Å; Y90-Y92 HydrophobicContact CE2-CD2 3.31Å; Y90-Y92 AromaticContact CE2-CE2 3.68Å; Y90-Y92 HydrophobicContact CE2-CE2 3.68Å; Y90-Y92 HydrophobicContact CE2-CG 4.17Å; Y90-Y92 HydrophobicContact CG-CD2 4.47Å; Y90-Y92 AromaticContact CZ-CD2 3.26Å; Y90-Y92 AromaticContact CZ-CG 3.7Å; Y90-Y92 WeakPolarHBondContact OH-CB 3.4Å; Y90-Y92 WeakPolarHBondContact OH-CD2 3.49Å; Y90-F135 HydrophobicContact CE2-CZ 4.32Å; Y90-W136 HydrophobicContact CD1-CD2 4.38Å; Y90-W136 AromaticContact CD1-CE3 3.6Å; Y90-W136 HydrophobicContact CD1-CE3 3.6Å; Y90-W136 AromaticContact CD1-CZ3 3.99Å; Y90-W136 HydrophobicContact CD1-CZ3 3.99Å; Y90-W136 AromaticContact CD2-CE3 3.99Å; Y90-W136 HydrophobicContact CD2-CE3 3.99Å; Y90-W136 AromaticContact CD2-CZ3 3.66Å; Y90-W136 HydrophobicContact CD2-CZ3 3.66Å; Y90-W136 AromaticContact CE1-CE3 3.68Å; Y90-W136 HydrophobicContact CE1-CE3 3.68Å; Y90-W136 HydrophobicContact CE1-CZ3 4.35Å; Y90-W136 HydrophobicContact CE2-CE3 4.07Å; Y90-W136 HydrophobicContact CE2-CZ3 4.04Å; Y90-W136 AromaticContact CG-CE3 3.75Å; Y90-W136 HydrophobicContact CG-CE3 3.75Å; Y90-W136 AromaticContact CG-CZ3 3.62Å; Y90-W136 HydrophobicContact CG-CZ3 3.62Å; Y90-W136 AromaticContact CZ-CE3 3.91Å
91H97.6Very high97.1Very high54 Ų5449.2 Ų49.225%0.2523%0.227CC..EExtended strand (participates in β ladder)trans-145.9111.9172-162.9167.5000109.9P12 G13 N82 S83 F84P12-H91 VanDerWaalsContact CA-O 3.3Å; P12-H91 WeakPolarHBondContact CA-O 3.28Å; P12-H91 HydrophobicContact CB-CB 4.28Å; G13-H91 PolarHBondContact N-O 2.71Å; N82-H91 PolarHBondContact OD1-NE2 2.97Å; S83-H91 WeakPolarHBondContact O-CA 3.35Å; F84-H91 HydrophobicContact CD2-CB 3.96Å; F84-H91 AromaticContact CD2-CG 3.83Å; F84-H91 AromaticContact CD2-ND1 3.73Å
92Y98.3Very high97.1Very high49 Ų4950.6 Ų50.619%0.19224%0.235CC..EExtended strand (participates in β ladder)trans-128.4143171.4-86-107000111.2G13 H49 S83 Y90G13-Y92 WeakPolarHBondContact O-CA 3.46Å; H49-Y92 AromaticContact CD2-CE1 3.71Å; H49-Y92 AromaticContact NE2-CE1 3.43Å; H49-Y92 WeakPolarHBondContact NE2-CE1 3.21Å; H49-Y92 AromaticContact NE2-CZ 3.46Å; H49-Y92 PolarHBondContact NE2-OH 3.42Å; S83-Y92 PolarHBondContact N-O 3.36Å; S83-Y92 PolarHBondContact O-N 3.13Å; Y90-Y92 HydrophobicContact CD1-CD2 4.42Å; Y90-Y92 AromaticContact CD2-CD2 3.95Å; Y90-Y92 HydrophobicContact CD2-CD2 3.95Å; Y90-Y92 HydrophobicContact CD2-CE2 4.21Å; Y90-Y92 AromaticContact CE1-CD2 3.85Å; Y90-Y92 HydrophobicContact CE1-CD2 3.85Å; Y90-Y92 HydrophobicContact CE1-CG 4.24Å; Y90-Y92 AromaticContact CE2-CD2 3.31Å; Y90-Y92 HydrophobicContact CE2-CD2 3.31Å; Y90-Y92 AromaticContact CE2-CE2 3.68Å; Y90-Y92 HydrophobicContact CE2-CE2 3.68Å; Y90-Y92 HydrophobicContact CE2-CG 4.17Å; Y90-Y92 HydrophobicContact CG-CD2 4.47Å; Y90-Y92 AromaticContact CZ-CD2 3.26Å; Y90-Y92 AromaticContact CZ-CG 3.7Å; Y90-Y92 WeakPolarHBondContact OH-CB 3.4Å; Y90-Y92 WeakPolarHBondContact OH-CD2 3.49Å
93V98.8Very high97.1Very high50 Ų5051.6 Ų51.630%0.30324%0.242SC..EExtended strand (participates in β ladder)trans-90.3119.7154.7178.50000106.4G13 V14 G15 V80 V81G13-V93 PolarHBondContact O-N 2.83Å; V14-V93 WeakPolarHBondContact CA-O 3.16Å; G15-V93 PolarHBondContact N-O 3.24Å; G15-V93 VanDerWaalsContact N-O 3.08Å; V80-V93 HydrophobicContact CG2-CG1 3.8Å; V81-V93 WeakPolarHBondContact O-CA 3.48Å
94T98.9Very high97.1Very high14 Ų1456.7 Ų56.79%0.08627%0.273CS..EExtended strand (participates in β ladder)trans-110.8119.9178.9-51.50000108.6G15 V80 V81 L96G15-T94 CarbonylContact O-C 3.43Å; G15-T94 WeakPolarHBondContact O-CA 3.43Å; V80-T94 CarbonylContact C-O 3.59Å; V80-T94 WeakPolarHBondContact CA-O 3.36Å; V81-T94 PolarHBondContact N-O 2.81Å; V81-T94 PolarHBondContact O-N 2.94Å; T94-L96 HydrophobicContact CG2-CD1 4.17Å; T94-L96 HydrophobicContact CG2-CD2 4.16Å; T94-L96 VanDerWaalsContact O-CD2 3.25Å; T94-L96 WeakPolarHBondContact O-CD2 3.2Å
95I98.9Very high97.1Very high11 Ų1158.1 Ų58.16%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-83.2136.5168.4-64.3146.5000107V14 G15 V16 G17 W56 F77 V80 M97V14-I95 HydrophobicContact CG1-CD1 4.03Å; G15-I95 PolarHBondContact O-N 3.35Å; V16-I95 CarbonylContact C-O 3.34Å; V16-I95 VanDerWaalsContact CA-O 3.26Å; V16-I95 WeakPolarHBondContact CA-O 3.25Å; V16-I95 HydrophobicContact CG2-CB 4.4Å; G17-I95 PolarHBondContact N-O 2.88Å; W56-I95 HydrophobicContact CB-CG2 4.43Å; W56-I95 HydrophobicContact CD2-CD1 4.08Å; W56-I95 HydrophobicContact CD2-CG2 3.89Å; W56-I95 HydrophobicContact CE3-CG2 3.81Å; W56-I95 HydrophobicContact CG-CD1 4.24Å; W56-I95 HydrophobicContact CG-CG2 4.18Å; W56-I95 HydrophobicContact CZ2-CD1 4.06Å; W56-I95 HydrophobicContact CZ3-CG2 4.35Å; F77-I95 HydrophobicContact CD2-CG2 4.34Å; F77-I95 HydrophobicContact CE2-CG2 4.35Å; V80-I95 HydrophobicContact CG2-CG1 4.23Å; I95-M97 HydrophobicContact CG2-SD 4.03Å
96L98.9Very high97.2Very high1 Ų161.4 Ų61.41%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-111124.2178.2-69.1-56.4000108.3G17 L45 A78 S79 V81 T94 L141G17-L96 WeakPolarHBondContact O-CA 3.36Å; L45-L96 HydrophobicContact CD1-CD1 3.75Å; A78-L96 WeakPolarHBondContact CA-O 3.49Å; A78-L96 HydrophobicContact CB-CB 4.32Å; A78-L96 WeakPolarHBondContact CB-O 3.4Å; A78-L96 PolarHBondContact N-O 3.04Å; S79-L96 PolarHBondContact N-O 3.1Å; S79-L96 VanDerWaalsContact N-O 3.08Å; S79-L96 PolarHBondContact O-N 3.39Å; V81-L96 HydrophobicContact CG1-CD2 4.16Å; V81-L96 HydrophobicContact CG2-CD2 3.88Å; T94-L96 HydrophobicContact CG2-CD1 4.17Å; T94-L96 HydrophobicContact CG2-CD2 4.16Å; T94-L96 VanDerWaalsContact O-CD2 3.25Å; T94-L96 WeakPolarHBondContact O-CD2 3.2Å; L96-L141 HydrophobicContact CB-CD1 4.47Å; L96-L141 HydrophobicContact CD1-CD2 4.32Å; L96-L141 HydrophobicContact CG-CD1 4.09Å; L96-L141 HydrophobicContact CG-CD2 4.06Å; L96-L141 HydrophobicContact CG-CG 4.44Å
97M98.9Very high97.3Very high9 Ų954.7 Ų54.74%0.04427%0.268CS..EExtended strand (participates in β ladder)trans-106.7149.7172.4-57.1-59.9-74.600109V16 G17 V18 V19 W56 A60 V75 R76 F77 I95V16-M97 HydrophobicContact CG1-CB 4.42Å; V16-M97 HydrophobicContact CG1-CG 3.65Å; G17-M97 PolarHBondContact O-N 3.48Å; V18-M97 CarbonylContact C-O 3.57Å; V18-M97 WeakPolarHBondContact CA-O 3.35Å; V19-M97 PolarHBondContact N-O 3.06Å; W56-M97 HydrophobicContact CB-CE 4.08Å; W56-M97 HydrophobicContact CB-CG 4.34Å; W56-M97 HydrophobicContact CB-SD 3.79Å; W56-M97 HydrophobicContact CE3-SD 4.3Å; A60-M97 HydrophobicContact CB-CB 3.84Å; A60-M97 HydrophobicContact CB-CG 3.93Å; V75-M97 HydrophobicContact CG1-CB 4.15Å; V75-M97 HydrophobicContact CG1-CE 4.03Å; R76-M97 CarbonylContact O-C 3.51Å; R76-M97 WeakPolarHBondContact O-CA 3.04Å; F77-M97 HydrophobicContact CB-SD 4.46Å; I95-M97 HydrophobicContact CG2-SD 4.03Å
98K98.9Very high97.6Very high8 Ų849.1 Ų49.14%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-113132.7169.6179.3173.168.8-179.80108.7V19 V75 R76 A78 P148 K150 E151V19-K98 HydrophobicContact CB-CB 4.35Å; V19-K98 HydrophobicContact CB-CG 4.45Å; V19-K98 HydrophobicContact CG1-CG 4.44Å; V19-K98 VanDerWaalsContact O-CA 3.32Å; V19-K98 WeakPolarHBondContact O-CA 3.12Å; V75-K98 CarbonylContact C-O 3.56Å; V75-K98 VanDerWaalsContact CA-O 3.28Å; V75-K98 WeakPolarHBondContact CA-O 3.48Å; R76-K98 VanDerWaalsContact CZ-CE 3.41Å; R76-K98 PolarHBondContact N-O 3.14Å; R76-K98 PolarHBondContact O-N 3.38Å; A78-K98 HydrophobicContact CB-CB 4.01Å; K98-P148 HydrophobicContact CD-CB 4.4Å; K98-P148 WeakPolarHBondContact CD-O 3.43Å; K98-P148 PolarHBondContact NZ-O 2.72Å; K98-K150 PolarHBondContact NZ-O 3.32Å; K98-E151 VanDerWaalsContact NZ-CD 3.33Å; K98-E151 IonicContact NZ-OE1 2.77Å; K98-E151 PolarHBondContact NZ-OE1 2.76Å; K98-E151 IonicContact NZ-OE2 3.81Å; K98-E151 PolarHBondContact NZ-OE2 3.13Å
99G98.8Very high97.9Very high0 Ų045.3 Ų45.30%023%0.23CC..EExtended strand (participates in β ladder)trans-137.8158.3177.600000111.9V19 T21V19-G99 PolarHBondContact O-N 2.98Å; T21-G99 PolarHBondContact N-O 3.11Å; T21-G99 PolarHBondContact OG1-O 2.98Å
100E98.9Very high98.1Very high57 Ų5743 Ų4327%0.26622%0.219SC..EExtended strand (participates in β ladder)trans-109.8136.2177.1-69.1159.3-140.400109.2T21 L72 K73 N74 R76 D102T21-E100 CarbonylContact O-C 3.47Å; T21-E100 WeakPolarHBondContact O-CA 3.34Å; T21-E100 WeakPolarHBondContact OG1-CG 3.48Å; L72-E100 CarbonylContact C-O 3.56Å; L72-E100 WeakPolarHBondContact CA-O 3.45Å; K73-E100 HydrophobicContact CG-CB 4.22Å; K73-E100 PolarHBondContact N-O 3.33Å; K73-E100 PolarHBondContact O-N 2.9Å; N74-E100 PolarHBondContact ND2-OE2 2.91Å; R76-E100 IonicContact CZ-OE1 3.93Å; R76-E100 IonicContact NH1-OE1 3.2Å; R76-E100 PolarHBondContact NH1-OE1 3.15Å; R76-E100 VanDerWaalsContact NH1-OE1 3.13Å; R76-E100 IonicContact NH2-OE1 3.32Å; E100-D102 PolarHBondContact O-N 3.31Å
101V98.9Very high98.2Very high4 Ų443.9 Ų43.92%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-59.1127.6173.9175.30000109.9V20 T21 L70 V103 W122V20-V101 HydrophobicContact CG1-CG2 3.67Å; T21-V101 PolarHBondContact O-N 2.98Å; L70-V101 HydrophobicContact CD1-CG2 4.12Å; L70-V101 HydrophobicContact CD2-CG1 4.12Å; L70-V101 HydrophobicContact CD2-CG2 4.42Å; V101-V103 HydrophobicContact CG1-CG1 4.27Å; V101-V103 PolarHBondContact O-N 3.29Å; V101-V103 VanDerWaalsContact O-N 3.15Å; V101-W122 HydrophobicContact CG2-CH2 3.61Å; V101-W122 HydrophobicContact CG2-CZ2 4.1Å
102D98.7Very high98.1Very high31 Ų3145 Ų4517%0.16624%0.237CC..  trans-8292.1172.6-168.519.6000111.6H71 K73 E100 T104 H105H71-D102 HydrophobicContact CB-CB 4.29Å; H71-D102 PolarHBondContact O-N 3.4Å; K73-D102 HydrophobicContact CB-CB 4.39Å; K73-D102 HydrophobicContact CD-CB 4.14Å; K73-D102 HydrophobicContact CG-CB 4.22Å; K73-D102 IonicContact NZ-OD1 2.83Å; K73-D102 PolarHBondContact NZ-OD1 3.03Å; E100-D102 PolarHBondContact O-N 3.31Å; D102-T104 PolarHBondContact O-N 3.23Å; D102-T104 PolarHBondContact OD1-OG1 2.86Å; D102-T104 PolarHBondContact OD2-OG1 2.75Å; D102-T104 VanDerWaalsContact OD2-OG1 3.08Å; D102-H105 PolarHBondContact O-N 3.44Å; D102-H105 IonicContact OD2-CE1 3.69Å; D102-H105 IonicContact OD2-ND1 2.8Å
103V98.3Very high97.9Very high53 Ų5344.6 Ų44.632%0.32124%0.237SC..THydrogen-bonded Turntrans-67.44-175.9-58.90000115.4K24 V101K24-V103 HydrophobicContact CG-CG1 4.47Å; V101-V103 HydrophobicContact CG1-CG1 4.27Å; V101-V103 PolarHBondContact O-N 3.29Å; V101-V103 VanDerWaalsContact O-N 3.15Å
104T98.3Very high97.7Very high108 Ų10845.4 Ų45.466%0.66324%0.243SC*.THydrogen-bonded Turntrans-74.5-14.9165.665.70000112.2D102D102-T104 PolarHBondContact O-N 3.23Å; D102-T104 PolarHBondContact OD1-OG1 2.86Å; D102-T104 PolarHBondContact OD2-OG1 2.75Å; D102-T104 VanDerWaalsContact OD2-OG1 3.08Å
105H97.8Very high97.4Very high93 Ų9350.3 Ų50.343%0.43127%0.265SS..SBendtrans-107.7-176.8171.8-58.785000110.5H71 D102 S107H71-H105 HydrophobicContact CB-CB 4.44Å; H71-H105 AromaticContact CD2-CD2 3.56Å; H71-H105 AromaticContact CD2-CG 3.47Å; H71-H105 VanDerWaalsContact CD2-CG 3.47Å; H71-H105 AromaticContact CG-CG 3.95Å; H71-H105 AromaticContact NE2-CD2 3.74Å; D102-H105 PolarHBondContact O-N 3.44Å; D102-H105 IonicContact OD2-CE1 3.69Å; D102-H105 IonicContact OD2-ND1 2.8Å; H105-S107 PolarHBondContact O-N 2.8Å
106D96.8Very high96.9Very high99 Ų9954.4 Ų54.453%0.52928%0.282SS..  trans-53.2126.9168.3-82.5-8.4000109.8K110D106-K110 IonicContact OD2-NZ 3.07Å; D106-K110 PolarHBondContact OD2-NZ 2.85Å
107S96.4Very high96.6Very high11 Ų1154.5 Ų54.58%0.07728%0.283CS..  trans-105.5-3.2-16967.90000114.8K24 H105K24-S107 WeakPolarHBondContact CD-OG 3.5Å; K24-S107 WeakPolarHBondContact CE-OG 3.45Å; K24-S107 PolarHBondContact NZ-OG 3.24Å; H105-S107 PolarHBondContact O-N 2.8Å
108E98.3Very high96.3Very high82 Ų8258.2 Ų58.238%0.38330%0.3SS..SBendtrans-109.6140.1179.4-65-53.2140.700110H25 W122H25-E108 IonicContact CD2-OE1 3.24Å; H25-E108 IonicContact CE1-OE1 3.42Å; H25-E108 IonicContact CE1-OE2 3.13Å; H25-E108 IonicContact NE2-OE1 3.73Å; H25-E108 PolarHBondContact NE2-OE1 3.14Å; H25-E108 IonicContact NE2-OE2 3.75Å; H25-E108 PolarHBondContact NE2-OE2 3.25Å; E108-W122 PolarHBondContact OE2-NE1 2.89Å
109P98Very high96Very high27 Ų2760 Ų6018%0.17531%0.313CS..  trans-67.7146.8-175.631.9-39000111.3L30 A68 L70 W120L30-P109 HydrophobicContact CD1-CB 4.13Å; L30-P109 HydrophobicContact CD1-CG 3.86Å; L30-P109 HydrophobicContact CD2-CB 4.29Å; A68-P109 HydrophobicContact CB-CB 4.33Å; A68-P109 WeakPolarHBondContact O-CA 3.26Å; L70-P109 HydrophobicContact CD1-CB 4.06Å; L70-P109 HydrophobicContact CG-CB 4.49Å; P109-W120 HydrophobicContact CB-CB 3.56Å; P109-W120 HydrophobicContact CB-CG 4.01Å; P109-W120 HydrophobicContact CG-CB 3.63Å
110K97.6Very high96Very high109 Ų10960.8 Ų60.847%0.47432%0.316SS..  trans-111.5137.4167.5-61.7173.1-172.2161.50107.8A68 A69 D106 V112A68-K110 CarbonylContact C-O 3.43Å; A68-K110 VanDerWaalsContact CA-O 3.28Å; A68-K110 WeakPolarHBondContact CA-O 3.36Å; A68-K110 PolarHBondContact O-N 3.4Å; A69-K110 HydrophobicContact CB-CB 3.97Å; A69-K110 HydrophobicContact CB-CD 4.03Å; A69-K110 HydrophobicContact CB-CG 4.26Å; D106-K110 IonicContact OD2-NZ 3.07Å; D106-K110 PolarHBondContact OD2-NZ 2.85Å; K110-V112 VanDerWaalsContact C-N 3.28Å; K110-V112 HydrophobicContact CB-CG2 4.25Å; K110-V112 PolarHBondContact O-N 3.07Å
111N96.2Very high95.9Very high51 Ų5163 Ų6327%0.27333%0.327SS..  trans-79.581.9173.4-16914000109.2E113 N117 E118N111-E113 VanDerWaalsContact C-N 3.31Å; N111-N117 PolarHBondContact ND2-O 2.72Å; N111-E118 PolarHBondContact ND2-O 2.9Å
112V96.4Very high95.9Very high77 Ų7764.5 Ų64.547%0.46733%0.332SS..SBendtrans-69.3-32.1-173-176.80000111.6E66 E67 A69 K110 P114E66-V112 WeakPolarHBondContact O-CB 3.33Å; E66-V112 WeakPolarHBondContact O-CG1 3.17Å; E67-V112 PolarHBondContact O-N 3.01Å; A69-V112 HydrophobicContact CB-CG2 3.79Å; K110-V112 VanDerWaalsContact C-N 3.28Å; K110-V112 HydrophobicContact CB-CG2 4.25Å; K110-V112 PolarHBondContact O-N 3.07Å; V112-P114 WeakPolarHBondContact O-CD 3.4Å
113E94Very high95.8Very high41 Ų4164.1 Ų64.119%0.19233%0.331CS..  trans-114.469.6179.1-59.4-168.6139.200111.2N111 E115 K116 N117N111-E113 VanDerWaalsContact C-N 3.31Å; E113-E115 PolarHBondContact O-N 2.88Å; E113-K116 HydrophobicContact CB-CB 4.27Å; E113-K116 HydrophobicContact CB-CG 4.36Å; E113-K116 PolarHBondContact O-N 2.98Å; E113-K116 IonicContact OE1-NZ 3.82Å; E113-K116 PolarHBondContact OE1-NZ 2.85Å; E113-K116 WeakPolarHBondContact OE2-CD 3.2Å; E113-K116 WeakPolarHBondContact OE2-CE 3.17Å; E113-K116 IonicContact OE2-NZ 3.88Å; E113-K116 PolarHBondContact OE2-NZ 3.11Å; E113-N117 PolarHBondContact O-N 2.81Å
114P94.4Very high95.8Very high67 Ų6763.5 Ų63.544%0.43533%0.328SS..THydrogen-bonded Turntrans-64.1-14.4-17228.6-37.5000114.4K35 V112 N117K35-P114 WeakPolarHBondContact CD-O 3.45Å; K35-P114 PolarHBondContact NZ-O 3.5Å; V112-P114 WeakPolarHBondContact O-CD 3.4Å; P114-N117 CarbonylContact C-O 3.55Å; P114-N117 VanDerWaalsContact O-O 3.09Å
115E91.8Very high95.5Very high117 Ų11758.8 Ų58.855%0.54730%0.298SS..THydrogen-bonded Turntrans-80.1-22.9172.873.9-69.4167.700113.6K35 E113K35-E115 WeakPolarHBondContact CB-O 3.41Å; E113-E115 PolarHBondContact O-N 2.88Å
116K88.1Confident95.2Very high97 Ų9762 Ų6242%0.42231%0.313SS..THydrogen-bonded Turntrans-99.9-21.2178.5-59.1-164.6-149.1150.30113.2K35 E113K35-K116 PolarHBondContact N-O 3.08Å; E113-K116 HydrophobicContact CB-CB 4.27Å; E113-K116 HydrophobicContact CB-CG 4.36Å; E113-K116 PolarHBondContact O-N 2.98Å; E113-K116 IonicContact OE1-NZ 3.82Å; E113-K116 PolarHBondContact OE1-NZ 2.85Å; E113-K116 WeakPolarHBondContact OE2-CD 3.2Å; E113-K116 WeakPolarHBondContact OE2-CE 3.17Å; E113-K116 IonicContact OE2-NZ 3.88Å; E113-K116 PolarHBondContact OE2-NZ 3.11Å
117N92.4Very high94.9Very high4 Ų464.4 Ų64.42%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-139.8141.5-176.3-17255.4000112G32 K33 K35 N111 E113 P114 S119G32-N117 WeakPolarHBondContact CA-OD1 2.87Å; K33-N117 PolarHBondContact N-OD1 2.87Å; K33-N117 PolarHBondContact O-OD1 3.31Å; K33-N117 VanDerWaalsContact O-OD1 3.1Å; K35-N117 PolarHBondContact NZ-O 3.33Å; N111-N117 PolarHBondContact ND2-O 2.72Å; E113-N117 PolarHBondContact O-N 2.81Å; P114-N117 CarbonylContact C-O 3.55Å; P114-N117 VanDerWaalsContact O-O 3.09Å; N117-S119 PolarHBondContact ND2-O 2.79Å
118E93Very high94.4Very high87 Ų8765.2 Ų65.241%0.40732%0.323SS..EExtended strand (participates in β ladder)trans-72.4-56.4176.8-75.9-179.3-168.100112.2K33 K35 N111K33-E118 HydrophobicContact CB-CB 4.2Å; K33-E118 VanDerWaalsContact CD-OE2 3.28Å; K33-E118 WeakPolarHBondContact CD-OE2 3.47Å; K33-E118 WeakPolarHBondContact CE-OE2 3.39Å; K33-E118 IonicContact NZ-OE1 3.32Å; K33-E118 PolarHBondContact NZ-OE1 2.95Å; K33-E118 IonicContact NZ-OE2 2.76Å; K33-E118 PolarHBondContact NZ-OE2 3.33Å; K33-E118 PolarHBondContact O-N 2.94Å; K35-E118 HydrophobicContact CD-CG 4.25Å; K35-E118 HydrophobicContact CG-CG 3.95Å; N111-E118 PolarHBondContact ND2-O 2.9Å
119S93.4Very high94.1Very high44 Ų4462.1 Ų62.131%0.30831%0.311SS..EExtended strand (participates in β ladder)trans-159167175.9660000109.5G32 N117 E121G32-S119 VanDerWaalsContact CA-O 3.32Å; G32-S119 WeakPolarHBondContact CA-O 3.42Å; N117-S119 PolarHBondContact ND2-O 2.79Å; S119-E121 WeakPolarHBondContact CB-OE1 2.92Å; S119-E121 PolarHBondContact OG-OE1 3.33Å
120W97.8Very high94Very high17 Ų1764.2 Ų64.26%0.06432%0.324CS..EExtended strand (participates in β ladder)trans-108.2126.7170.8-72.3117.1000108.5L30 L31 G32 Q44 P46 E67 A68 P109L30-W120 HydrophobicContact CD1-CB 3.99Å; L30-W120 HydrophobicContact CD2-CD2 4.25Å; L30-W120 HydrophobicContact CD2-CE3 4Å; L30-W120 HydrophobicContact CG-CB 4.43Å; L30-W120 HydrophobicContact CG-CD2 4.39Å; L30-W120 HydrophobicContact CG-CE3 3.81Å; L30-W120 HydrophobicContact CG-CZ3 4.49Å; L31-W120 VanDerWaalsContact C-CE3 3.44Å; L31-W120 WeakPolarHBondContact O-CA 3.4Å; G32-W120 VanDerWaalsContact CA-CE3 3.4Å; G32-W120 VanDerWaalsContact CA-CZ3 3.41Å; G32-W120 VanDerWaalsContact N-CE3 3.29Å; Q44-W120 HydrophobicContact CG-CH2 4.5Å; P46-W120 HydrophobicContact CB-CH2 3.98Å; P46-W120 HydrophobicContact CB-CZ3 4.46Å; P46-W120 HydrophobicContact CG-CE3 4.37Å; P46-W120 HydrophobicContact CG-CH2 3.67Å; P46-W120 HydrophobicContact CG-CZ2 4.36Å; P46-W120 HydrophobicContact CG-CZ3 3.66Å; E67-W120 HydrophobicContact CB-CZ2 3.93Å; E67-W120 PolarHBondContact O-NE1 3.22Å; A68-W120 HydrophobicContact CB-CD2 4.46Å; P109-W120 HydrophobicContact CB-CB 3.56Å; P109-W120 HydrophobicContact CB-CG 4.01Å; P109-W120 HydrophobicContact CG-CB 3.63Å
121E97.6Very high93.8Very high104 Ų10462.3 Ų62.349%0.48632%0.319SS..EExtended strand (participates in β ladder)trans-126.8142.3-177.3-56.1-60.7151.200110.6L31 S119 V123L31-E121 PolarHBondContact N-O 2.9Å; L31-E121 PolarHBondContact O-N 3.17Å; S119-E121 WeakPolarHBondContact CB-OE1 2.92Å; S119-E121 PolarHBondContact OG-OE1 3.33Å; E121-V123 HydrophobicContact CB-CG2 4.17Å; E121-V123 PolarHBondContact O-N 3.44Å
122W98.3Very high93.7Very high35 Ų3566 Ų6613%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-82.9106.3169.6-66.1107.3000109.4V20 H25 C28 L30 L70 V101 E108V20-W122 HydrophobicContact CG1-CH2 3.94Å; V20-W122 HydrophobicContact CG1-CZ3 4.29Å; H25-W122 HydrophobicContact CB-CB 4.02Å; H25-W122 HydrophobicContact CB-CD2 3.93Å; H25-W122 HydrophobicContact CB-CE3 4.17Å; H25-W122 HydrophobicContact CB-CG 3.87Å; H25-W122 AromaticContact CD2-CD1 3.35Å; H25-W122 AromaticContact CD2-CD2 3.65Å; H25-W122 AromaticContact CD2-CE2 3.43Å; H25-W122 VanDerWaalsContact CD2-CE2 3.43Å; H25-W122 AromaticContact CD2-CG 3.61Å; H25-W122 AromaticContact CD2-NE1 3.21Å; H25-W122 PolarHBondContact CD2-NE1 3.22Å; H25-W122 AromaticContact CE1-CD1 3.45Å; H25-W122 VanDerWaalsContact CE1-CD1 3.45Å; H25-W122 AromaticContact CE1-NE1 3.88Å; H25-W122 AromaticContact CG-CD1 3.58Å; H25-W122 AromaticContact CG-CD2 3.79Å; H25-W122 AromaticContact CG-CG 3.48Å; H25-W122 VanDerWaalsContact CG-CG 3.48Å; H25-W122 AromaticContact CG-NE1 3.9Å; H25-W122 AromaticContact ND1-CD1 3.67Å; H25-W122 AromaticContact ND1-CG 3.81Å; H25-W122 AromaticContact NE2-CD1 3.27Å; H25-W122 VanDerWaalsContact NE2-CD1 3.27Å; H25-W122 AromaticContact NE2-CE2 3.93Å; H25-W122 AromaticContact NE2-CG 3.97Å; H25-W122 AromaticContact NE2-NE1 3.2Å; H25-W122 PolarHBondContact NE2-NE1 3.5Å; C28-W122 HydrophobicContact CB-CB 4.04Å; C28-W122 HydrophobicContact CB-CE3 4.42Å; L30-W122 HydrophobicContact CB-CE3 4.22Å; L30-W122 HydrophobicContact CB-CH2 4.26Å; L30-W122 HydrophobicContact CB-CZ3 3.89Å; L30-W122 HydrophobicContact CD1-CD2 4.01Å; L30-W122 HydrophobicContact CD1-CE3 4.18Å; L30-W122 HydrophobicContact CD1-CH2 4.24Å; L30-W122 HydrophobicContact CD1-CZ2 4.12Å; L30-W122 HydrophobicContact CD1-CZ3 4.29Å; L70-W122 HydrophobicContact CD1-CH2 4.47Å; L70-W122 HydrophobicContact CD1-CZ2 4.32Å; V101-W122 HydrophobicContact CG2-CH2 3.61Å; V101-W122 HydrophobicContact CG2-CZ2 4.1Å; E108-W122 PolarHBondContact OE2-NE1 2.89Å
123V97.8Very high93.6Very high23 Ų2366.5 Ų66.514%0.13934%0.336CS..EExtended strand (participates in β ladder)trans-105.5125.4-175.2-179.20000110.2C28 I29 L31 E121 W125C28-V123 CarbonylContact C-O 3.6Å; C28-V123 VanDerWaalsContact CA-O 3.22Å; C28-V123 WeakPolarHBondContact CA-O 3.36Å; I29-V123 PolarHBondContact N-O 2.97Å; I29-V123 PolarHBondContact O-N 3.14Å; L31-V123 HydrophobicContact CB-CG2 4.04Å; L31-V123 HydrophobicContact CD1-CB 3.91Å; L31-V123 HydrophobicContact CD1-CG1 4.14Å; L31-V123 HydrophobicContact CD1-CG2 3.96Å; L31-V123 HydrophobicContact CG-CB 4.27Å; L31-V123 HydrophobicContact CG-CG2 4.22Å; E121-V123 HydrophobicContact CB-CG2 4.17Å; E121-V123 PolarHBondContact O-N 3.44Å; V123-W125 PolarHBondContact O-N 3.47Å
124P97.7Very high93.7Very high40 Ų4064.8 Ų64.826%0.2633%0.328SS..EExtended strand (participates in β ladder)trans-57.9133.2173.6-21.231.6000111R27 E126 E127R27-P124 WeakPolarHBondContact O-CA 3.48Å; P124-E126 PolarHBondContact O-N 3.04Å; P124-E127 HydrophobicContact CB-CB 4.07Å; P124-E127 HydrophobicContact CB-CG 4.19Å; P124-E127 HydrophobicContact CG-CB 4.33Å; P124-E127 HydrophobicContact CG-CG 4.45Å; P124-E127 CarbonylContact O-C 3.45Å; P124-E127 PolarHBondContact O-N 3.31Å
125W93.1Very high93.8Very high10 Ų1062.7 Ų62.74%0.03831%0.312CS..G310 helixtrans-62.3-26.8-178-175.9-104.5000113.9R27 I29 V123 F128 K142 Y146 P148 F149R27-W125 PolarHBondContact O-N 2.85Å; I29-W125 HydrophobicContact CD1-CE3 3.85Å; I29-W125 HydrophobicContact CD1-CZ3 3.67Å; I29-W125 HydrophobicContact CG1-CE3 4.12Å; I29-W125 HydrophobicContact CG1-CZ3 4.44Å; I29-W125 HydrophobicContact CG2-CE3 4.22Å; V123-W125 PolarHBondContact O-N 3.47Å; W125-F128 HydrophobicContact CD2-CD2 4.3Å; W125-F128 HydrophobicContact CD2-CE2 4.44Å; W125-F128 AromaticContact CE3-CD2 3.72Å; W125-F128 HydrophobicContact CE3-CD2 3.72Å; W125-F128 AromaticContact CE3-CE2 3.46Å; W125-F128 HydrophobicContact CE3-CE2 3.46Å; W125-F128 VanDerWaalsContact CE3-CE2 3.46Å; W125-F128 HydrophobicContact CE3-CZ 4.23Å; W125-F128 HydrophobicContact CH2-CE2 4.39Å; W125-F128 HydrophobicContact CH2-CZ 4.41Å; W125-F128 HydrophobicContact CZ3-CD2 4.02Å; W125-F128 AromaticContact CZ3-CE2 3.43Å; W125-F128 HydrophobicContact CZ3-CE2 3.43Å; W125-F128 VanDerWaalsContact CZ3-CE2 3.43Å; W125-F128 AromaticContact CZ3-CZ 3.72Å; W125-F128 HydrophobicContact CZ3-CZ 3.72Å; W125-F128 WeakPolarHBondContact O-CB 3.36Å; W125-K142 VanDerWaalsContact CE2-NZ 3.33Å; W125-K142 HydrophobicContact CH2-CD 3.94Å; W125-K142 HydrophobicContact CZ2-CD 3.67Å; W125-Y146 AromaticContact CH2-CD1 3.98Å; W125-Y146 HydrophobicContact CH2-CD1 3.98Å; W125-Y146 HydrophobicContact CZ2-CD1 4.2Å; W125-Y146 WeakPolarHBondContact CZ2-O 3.38Å; W125-P148 HydrophobicContact CB-CG 4.4Å; W125-P148 HydrophobicContact CD2-CG 3.58Å; W125-P148 HydrophobicContact CE3-CG 3.71Å; W125-P148 HydrophobicContact CG-CG 3.89Å; W125-P148 HydrophobicContact CZ3-CG 4.25Å; W125-F149 HydrophobicContact CB-CD2 4.37Å; W125-F149 HydrophobicContact CB-CE2 3.62Å; W125-F149 HydrophobicContact CG-CE2 4.22Å
126E90.5Very high94.1Very high160 Ų16058.7 Ų58.775%0.74829%0.292SS*.G310 helixtrans-79.3-23.7175.8-62.1-56.9136.300112.9P124 F128P124-E126 PolarHBondContact O-N 3.04Å; E126-F128 VanDerWaalsContact C-N 3.28Å; E126-F128 PolarHBondContact O-N 3.44Å
127E91.1Very high94.5Very high150 Ų15054.3 Ų54.370%0.70128%0.275SS*.G310 helixtrans-100.333.7177.4-61.9178.5-156.200110.6P124P124-E127 HydrophobicContact CB-CB 4.07Å; P124-E127 HydrophobicContact CB-CG 4.19Å; P124-E127 HydrophobicContact CG-CB 4.33Å; P124-E127 HydrophobicContact CG-CG 4.45Å; P124-E127 CarbonylContact O-C 3.45Å; P124-E127 PolarHBondContact O-N 3.31Å
128F86.3Confident94.8Very high27 Ų2754.4 Ų54.412%0.11828%0.275CS..PPolyproline II helixtrans-63.9140.4-174-140.6-106.7000112I29 L31 W125 E126 L134 L138 K142I29-F128 HydrophobicContact CD1-CE2 3.67Å; I29-F128 HydrophobicContact CD1-CZ 4.02Å; I29-F128 HydrophobicContact CG1-CE2 4Å; L31-F128 HydrophobicContact CD1-CE2 3.86Å; L31-F128 HydrophobicContact CD1-CZ 3.9Å; L31-F128 HydrophobicContact CD2-CZ 4.25Å; W125-F128 HydrophobicContact CD2-CD2 4.3Å; W125-F128 HydrophobicContact CD2-CE2 4.44Å; W125-F128 AromaticContact CE3-CD2 3.72Å; W125-F128 HydrophobicContact CE3-CD2 3.72Å; W125-F128 AromaticContact CE3-CE2 3.46Å; W125-F128 HydrophobicContact CE3-CE2 3.46Å; W125-F128 VanDerWaalsContact CE3-CE2 3.46Å; W125-F128 HydrophobicContact CE3-CZ 4.23Å; W125-F128 HydrophobicContact CH2-CE2 4.39Å; W125-F128 HydrophobicContact CH2-CZ 4.41Å; W125-F128 HydrophobicContact CZ3-CD2 4.02Å; W125-F128 AromaticContact CZ3-CE2 3.43Å; W125-F128 HydrophobicContact CZ3-CE2 3.43Å; W125-F128 VanDerWaalsContact CZ3-CE2 3.43Å; W125-F128 AromaticContact CZ3-CZ 3.72Å; W125-F128 HydrophobicContact CZ3-CZ 3.72Å; W125-F128 WeakPolarHBondContact O-CB 3.36Å; E126-F128 VanDerWaalsContact C-N 3.28Å; E126-F128 PolarHBondContact O-N 3.44Å; F128-L134 HydrophobicContact CD1-CD1 3.93Å; F128-L134 HydrophobicContact CD1-CD2 4.09Å; F128-L134 HydrophobicContact CE1-CD1 3.61Å; F128-L134 HydrophobicContact CE1-CD2 3.62Å; F128-L134 HydrophobicContact CE1-CG 4.26Å; F128-L134 HydrophobicContact CZ-CD2 4.48Å; F128-L138 HydrophobicContact CE1-CD1 4.22Å; F128-L138 HydrophobicContact CE1-CD2 4.17Å; F128-L138 HydrophobicContact CE1-CG 4.14Å; F128-L138 HydrophobicContact CZ-CD1 3.85Å; F128-L138 HydrophobicContact CZ-CD2 3.91Å; F128-L138 HydrophobicContact CZ-CG 4.1Å; F128-K142 HydrophobicContact CD1-CD 4.15Å; F128-K142 HydrophobicContact CD1-CG 4.39Å
129P91.8Very high95Very high18 Ų1853.6 Ų53.612%0.11727%0.268CS..PPolyproline II helixtrans-57.5150.2174.7-23.132.6000112.1L31 F43 Q133 L134L31-P129 HydrophobicContact CD1-CG 4.26Å; F43-P129 HydrophobicContact CD2-CB 3.7Å; F43-P129 HydrophobicContact CD2-CG 3.6Å; F43-P129 HydrophobicContact CE2-CB 3.94Å; F43-P129 HydrophobicContact CE2-CG 3.81Å; F43-P129 HydrophobicContact CG-CG 4Å; F43-P129 HydrophobicContact CZ-CG 4.38Å; P129-Q133 HydrophobicContact CB-CB 4.29Å; P129-L134 HydrophobicContact CB-CD2 3.93Å; P129-L134 HydrophobicContact CG-CD2 4.25Å
130P94.4Very high95.2Very high70 Ų7051.8 Ų51.846%0.45526%0.255SS..PPolyproline II helixtrans-53.3148.8173-27.636.5000112.9D132 Q133P130-D132 WeakPolarHBondContact CB-OD1 3.46Å; P130-D132 PolarHBondContact O-N 2.77Å; P130-D132 VanDerWaalsContact O-N 3.12Å; P130-Q133 HydrophobicContact CB-CG 4.49Å; P130-Q133 WeakPolarHBondContact O-CB 3.41Å; P130-Q133 PolarHBondContact O-N 2.86Å
131L93.8Very high95.2Very high70 Ų7051 Ų5137%0.36625%0.252SS..G310 helixtrans-57.2-31.4-173.3-67.2177.6000114.3Q133 L134 R139 K142 E143L131-Q133 PolarHBondContact O-N 2.8Å; L131-L134 HydrophobicContact CD2-CD1 3.99Å; L131-L134 PolarHBondContact O-N 2.78Å; L131-R139 HydrophobicContact CB-CG 4.41Å; L131-R139 HydrophobicContact CD2-CG 4.44Å; L131-R139 WeakPolarHBondContact O-CD 3.17Å; L131-K142 HydrophobicContact CD2-CB 3.92Å; L131-K142 HydrophobicContact CD2-CG 3.75Å; L131-E143 HydrophobicContact CD1-CG 3.88Å; L131-E143 HydrophobicContact CD2-CG 4.14Å
132D93.5Very high95.1Very high127 Ų12748.8 Ų48.868%0.67924%0.241SC*.G310 helixtrans-74.3-13.3178.363.5-29.8000113.5P130P130-D132 WeakPolarHBondContact CB-OD1 3.46Å; P130-D132 PolarHBondContact O-N 2.77Å; P130-D132 VanDerWaalsContact O-N 3.12Å
133Q95.8Very high95Very high88 Ų8850.6 Ų50.641%0.41125%0.251SS..G310 helixtrans-94.1-2.9173-58.3-176.113.400112.9S42 F43 P129 P130 L131S42-Q133 CarbonylContact C-O 3.5Å; S42-Q133 WeakPolarHBondContact CA-O 3.4Å; S42-Q133 WeakPolarHBondContact CB-O 3.2Å; F43-Q133 HydrophobicContact CD2-CB 4.2Å; F43-Q133 PolarHBondContact N-O 2.86Å; P129-Q133 HydrophobicContact CB-CB 4.29Å; P130-Q133 HydrophobicContact CB-CG 4.49Å; P130-Q133 WeakPolarHBondContact O-CB 3.41Å; P130-Q133 PolarHBondContact O-N 2.86Å; L131-Q133 PolarHBondContact O-N 2.8Å
134L96.3Very high95Very high6 Ų650.8 Ų50.83%0.03125%0.25CS..BIsolated β-bridgetrans-95.6139.5-177.2-56179.1000111.5F43 F128 P129 L131 L138 R139 K142F43-L134 HydrophobicContact CB-CD2 4.07Å; F128-L134 HydrophobicContact CD1-CD1 3.93Å; F128-L134 HydrophobicContact CD1-CD2 4.09Å; F128-L134 HydrophobicContact CE1-CD1 3.61Å; F128-L134 HydrophobicContact CE1-CD2 3.62Å; F128-L134 HydrophobicContact CE1-CG 4.26Å; F128-L134 HydrophobicContact CZ-CD2 4.48Å; P129-L134 HydrophobicContact CB-CD2 3.93Å; P129-L134 HydrophobicContact CG-CD2 4.25Å; L131-L134 HydrophobicContact CD2-CD1 3.99Å; L131-L134 PolarHBondContact O-N 2.78Å; L134-L138 HydrophobicContact CD1-CG 4.43Å; L134-L138 HydrophobicContact CD2-CD2 4Å; L134-L138 HydrophobicContact CD2-CG 4.39Å; L134-R139 HydrophobicContact CB-CB 3.9Å; L134-K142 HydrophobicContact CD1-CB 4.25Å
135F96.6Very high95Very high23 Ų2351.4 Ų51.410%0.10127%0.265CS..  trans-67148.3169.1-166.5-119.2000110.4S42 F43 Q44 Y90 G137 L138 R139S42-F135 WeakPolarHBondContact OG-CB 3.24Å; F43-F135 WeakPolarHBondContact O-CB 3.32Å; F43-F135 PolarHBondContact O-N 3.1Å; Q44-F135 HydrophobicContact CB-CB 4.26Å; Y90-F135 HydrophobicContact CE2-CZ 4.32Å; F135-G137 PolarHBondContact O-N 2.85Å; F135-G137 VanDerWaalsContact O-N 3.14Å; F135-L138 PolarHBondContact O-N 2.91Å; F135-R139 PolarHBondContact O-N 3.12Å
136W97Very high95.2Very high32 Ų3251.4 Ų51.412%0.12127%0.265CS..Hα-helixtrans-58-39.8-159.4-55.6-59.6000115.2V38 I85 E88 Y90 L138 R139 C140V38-W136 HydrophobicContact CG1-CH2 3.5Å; V38-W136 HydrophobicContact CG1-CZ3 3.55Å; I85-W136 HydrophobicContact CD1-CB 4.39Å; I85-W136 VanDerWaalsContact CD1-CD1 3.49Å; I85-W136 HydrophobicContact CD1-CD2 4.38Å; I85-W136 HydrophobicContact CD1-CG 3.85Å; I85-W136 HydrophobicContact CG1-CB 4.3Å; I85-W136 HydrophobicContact CG1-CD2 3.68Å; I85-W136 HydrophobicContact CG1-CE3 4.32Å; I85-W136 HydrophobicContact CG1-CG 3.62Å; I85-W136 HydrophobicContact CG2-CZ2 4.36Å; E88-W136 HydrophobicContact CB-CH2 3.89Å; E88-W136 HydrophobicContact CB-CZ2 4.19Å; E88-W136 HydrophobicContact CG-CH2 3.73Å; E88-W136 HydrophobicContact CG-CZ2 3.59Å; Y90-W136 HydrophobicContact CD1-CD2 4.38Å; Y90-W136 AromaticContact CD1-CE3 3.6Å; Y90-W136 HydrophobicContact CD1-CE3 3.6Å; Y90-W136 AromaticContact CD1-CZ3 3.99Å; Y90-W136 HydrophobicContact CD1-CZ3 3.99Å; Y90-W136 AromaticContact CD2-CE3 3.99Å; Y90-W136 HydrophobicContact CD2-CE3 3.99Å; Y90-W136 AromaticContact CD2-CZ3 3.66Å; Y90-W136 HydrophobicContact CD2-CZ3 3.66Å; Y90-W136 AromaticContact CE1-CE3 3.68Å; Y90-W136 HydrophobicContact CE1-CE3 3.68Å; Y90-W136 HydrophobicContact CE1-CZ3 4.35Å; Y90-W136 HydrophobicContact CE2-CE3 4.07Å; Y90-W136 HydrophobicContact CE2-CZ3 4.04Å; Y90-W136 AromaticContact CG-CE3 3.75Å; Y90-W136 HydrophobicContact CG-CE3 3.75Å; Y90-W136 AromaticContact CG-CZ3 3.62Å; Y90-W136 HydrophobicContact CG-CZ3 3.62Å; Y90-W136 AromaticContact CZ-CE3 3.91Å; W136-L138 VanDerWaalsContact C-N 3.35Å; W136-L138 PolarHBondContact O-N 2.94Å; W136-R139 PolarHBondContact O-N 3.42Å; W136-C140 WeakPolarHBondContact O-CB 3.38Å; W136-C140 PolarHBondContact O-N 3.34Å; W136-C140 PolarHBondContact O-SG 2.78Å
137G97.3Very high95.6Very high6 Ų645.5 Ų45.56%0.06224%0.238CC..Hα-helixtrans-59.9-43.9176.200000112.9F135 L141F135-G137 PolarHBondContact O-N 2.85Å; F135-G137 VanDerWaalsContact O-N 3.14Å; G137-L141 PolarHBondContact O-N 2.92Å; G137-L141 VanDerWaalsContact O-N 3.15Å
138L97.6Very high95.9Very high5 Ų538.5 Ų38.53%0.02621%0.206CC..Hα-helixtrans-72.2-38.3177.1179.555.8000112L31 L45 F128 L134 F135 W136 L141 K142L31-L138 HydrophobicContact CD2-CD2 3.48Å; L31-L138 VanDerWaalsContact CD2-CD2 3.48Å; L45-L138 HydrophobicContact CD1-CD1 4.07Å; L45-L138 HydrophobicContact CD2-CD1 3.97Å; L45-L138 HydrophobicContact CD2-CD2 4.43Å; L45-L138 HydrophobicContact CG-CB 4.43Å; L45-L138 HydrophobicContact CG-CD1 3.92Å; L45-L138 HydrophobicContact CG-CD2 4.36Å; L45-L138 HydrophobicContact CG-CG 4.47Å; F128-L138 HydrophobicContact CE1-CD1 4.22Å; F128-L138 HydrophobicContact CE1-CD2 4.17Å; F128-L138 HydrophobicContact CE1-CG 4.14Å; F128-L138 HydrophobicContact CZ-CD1 3.85Å; F128-L138 HydrophobicContact CZ-CD2 3.91Å; F128-L138 HydrophobicContact CZ-CG 4.1Å; L134-L138 HydrophobicContact CD1-CG 4.43Å; L134-L138 HydrophobicContact CD2-CD2 4Å; L134-L138 HydrophobicContact CD2-CG 4.39Å; F135-L138 PolarHBondContact O-N 2.91Å; W136-L138 VanDerWaalsContact C-N 3.35Å; W136-L138 PolarHBondContact O-N 2.94Å; L138-L141 HydrophobicContact CD1-CD2 4.25Å; L138-L141 WeakPolarHBondContact O-CB 3.44Å; L138-L141 PolarHBondContact O-N 2.87Å; L138-K142 PolarHBondContact O-N 2.71Å
139R97.4Very high96.4Very high70 Ų7041.4 Ų41.426%0.26422%0.218SC..Hα-helixtrans-58.1-53.1174.3-176.2-179.2168.6164.3-5.8111.4L131 L134 F135 W136 L141 K142 E143 L164L131-R139 HydrophobicContact CB-CG 4.41Å; L131-R139 HydrophobicContact CD2-CG 4.44Å; L131-R139 WeakPolarHBondContact O-CD 3.17Å; L134-R139 HydrophobicContact CB-CB 3.9Å; F135-R139 PolarHBondContact O-N 3.12Å; W136-R139 PolarHBondContact O-N 3.42Å; R139-L141 VanDerWaalsContact C-N 3.26Å; R139-L141 PolarHBondContact O-N 3.01Å; R139-K142 PolarHBondContact O-N 3.17Å; R139-K142 VanDerWaalsContact O-N 3.11Å; R139-E143 IonicContact CZ-OE1 3.04Å; R139-E143 IonicContact NE-OE1 2.71Å; R139-E143 PolarHBondContact NE-OE1 2.61Å; R139-E143 IonicContact NH2-OE1 2.7Å; R139-E143 PolarHBondContact NH2-OE1 3.17Å; R139-E143 PolarHBondContact O-N 2.92Å; R139-L164 HydrophobicContact CG-CD1 4.31Å
140C98Very high96.7Very high6 Ų646 Ų464%0.04124%0.237CC..Hα-helixtrans-57.7-40.8177.6-68.80000111.4V81 S83 W136 E143 Q144 L164V81-C140 HydrophobicContact CB-CB 3.59Å; V81-C140 HydrophobicContact CG1-CB 3.56Å; V81-C140 HydrophobicContact CG2-CB 3.93Å; S83-C140 PolarHBondContact OG-SG 3.48Å; W136-C140 WeakPolarHBondContact O-CB 3.38Å; W136-C140 PolarHBondContact O-N 3.34Å; W136-C140 PolarHBondContact O-SG 2.78Å; C140-E143 PolarHBondContact O-N 3.03Å; C140-Q144 WeakPolarHBondContact O-CG 3.28Å; C140-Q144 PolarHBondContact O-N 3.36Å; C140-L164 VanDerWaalsContact SG-CD1 3.55Å
141L97.8Very high96.8Very high0 Ų048.3 Ų48.30%024%0.241CC..Hα-helixtrans-61.1-44.1176.717966.2000111.5V19 L45 S79 L96 G137 L138 R139 Q144 Y146V19-L141 HydrophobicContact CG2-CD2 3.86Å; L45-L141 HydrophobicContact CD1-CD2 4.4Å; S79-L141 VanDerWaalsContact CB-CD1 3.43Å; L96-L141 HydrophobicContact CB-CD1 4.47Å; L96-L141 HydrophobicContact CD1-CD2 4.32Å; L96-L141 HydrophobicContact CG-CD1 4.09Å; L96-L141 HydrophobicContact CG-CD2 4.06Å; L96-L141 HydrophobicContact CG-CG 4.44Å; G137-L141 PolarHBondContact O-N 2.92Å; G137-L141 VanDerWaalsContact O-N 3.15Å; L138-L141 HydrophobicContact CD1-CD2 4.25Å; L138-L141 WeakPolarHBondContact O-CB 3.44Å; L138-L141 PolarHBondContact O-N 2.87Å; R139-L141 VanDerWaalsContact C-N 3.26Å; R139-L141 PolarHBondContact O-N 3.01Å; L141-Q144 PolarHBondContact O-N 2.7Å; L141-Y146 HydrophobicContact CD1-CD1 3.77Å; L141-Y146 HydrophobicContact CD1-CD2 4.16Å; L141-Y146 HydrophobicContact CD1-CE1 4.49Å; L141-Y146 HydrophobicContact CD1-CG 3.55Å; L141-Y146 HydrophobicContact CD2-CD1 3.73Å; L141-Y146 HydrophobicContact CD2-CE1 4.11Å; L141-Y146 HydrophobicContact CD2-CG 4.4Å; L141-Y146 HydrophobicContact CG-CD1 3.74Å; L141-Y146 HydrophobicContact CG-CG 3.96Å; L141-Y146 WeakPolarHBondContact O-CB 3.26Å
142K95.9Very high97.1Very high58 Ų5848.4 Ų48.425%0.25224%0.242SC..Hα-helixtrans-66.1-40178.6-170.464.8173.9-171.80111.7W125 F128 L131 L134 L138 R139 Q144 G145W125-K142 VanDerWaalsContact CE2-NZ 3.33Å; W125-K142 HydrophobicContact CH2-CD 3.94Å; W125-K142 HydrophobicContact CZ2-CD 3.67Å; F128-K142 HydrophobicContact CD1-CD 4.15Å; F128-K142 HydrophobicContact CD1-CG 4.39Å; L131-K142 HydrophobicContact CD2-CB 3.92Å; L131-K142 HydrophobicContact CD2-CG 3.75Å; L134-K142 HydrophobicContact CD1-CB 4.25Å; L138-K142 PolarHBondContact O-N 2.71Å; R139-K142 PolarHBondContact O-N 3.17Å; R139-K142 VanDerWaalsContact O-N 3.11Å; K142-Q144 VanDerWaalsContact C-N 3.32Å; K142-Q144 PolarHBondContact O-N 2.8Å; K142-G145 PolarHBondContact O-N 3.46Å
143E96.4Very high97.3Very high73 Ų7346 Ų4634%0.34123%0.229SC..Hα-helixtrans-69.4-25.2178.3-74.4165.7164.100113.5L131 R139 C140 G145 L164L131-E143 HydrophobicContact CD1-CG 3.88Å; L131-E143 HydrophobicContact CD2-CG 4.14Å; R139-E143 IonicContact CZ-OE1 3.04Å; R139-E143 IonicContact NE-OE1 2.71Å; R139-E143 PolarHBondContact NE-OE1 2.61Å; R139-E143 IonicContact NH2-OE1 2.7Å; R139-E143 PolarHBondContact NH2-OE1 3.17Å; R139-E143 PolarHBondContact O-N 2.92Å; C140-E143 PolarHBondContact O-N 3.03Å; E143-G145 PolarHBondContact O-N 2.84Å; E143-L164 WeakPolarHBondContact OE2-CD1 3.21Å; E143-L164 WeakPolarHBondContact OE2-CD2 3.21Å; E143-L164 WeakPolarHBondContact OE2-CG 3.3Å
144Q97.5Very high97.4Very high27 Ų2747 Ų4713%0.12624%0.237CC..THydrogen-bonded Turntrans-64.2-15.6168.1-74.7174.5-22.400112.7S79 V80 C140 L141 K142 H155 Y159S79-Q144 PolarHBondContact OG-OE1 2.92Å; V80-Q144 PolarHBondContact O-NE2 3.41Å; C140-Q144 WeakPolarHBondContact O-CG 3.28Å; C140-Q144 PolarHBondContact O-N 3.36Å; L141-Q144 PolarHBondContact O-N 2.7Å; K142-Q144 VanDerWaalsContact C-N 3.32Å; K142-Q144 PolarHBondContact O-N 2.8Å; Q144-H155 HydrophobicContact CB-CB 4.24Å; Q144-H155 VanDerWaalsContact O-CB 3.24Å; Q144-H155 WeakPolarHBondContact O-CB 3.21Å; Q144-Y159 HydrophobicContact CG-CD2 4.17Å; Q144-Y159 HydrophobicContact CG-CE2 4.14Å; Q144-Y159 VanDerWaalsContact NE2-CE2 3.35Å; Q144-Y159 VanDerWaalsContact NE2-CZ 3.34Å
145G96.8Very high97.5Very high54 Ų5448 Ų4856%0.55724%0.241SC*.THydrogen-bonded Turntrans78.726.3-174.200000113K142 E143K142-G145 PolarHBondContact O-N 3.46Å; E143-G145 PolarHBondContact O-N 2.84Å
146Y98.1Very high97.6Very high10 Ų1048.8 Ų48.84%0.03925%0.246CC..  trans-57.6148.8173.6176.7-110.5000111.6V19 A78 W125 L141 P148 H155V19-Y146 HydrophobicContact CG1-CE1 4.3Å; V19-Y146 HydrophobicContact CG2-CE1 4Å; A78-Y146 HydrophobicContact CB-CE2 3.95Å; A78-Y146 WeakPolarHBondContact CB-OH 3.21Å; W125-Y146 AromaticContact CH2-CD1 3.98Å; W125-Y146 HydrophobicContact CH2-CD1 3.98Å; W125-Y146 HydrophobicContact CZ2-CD1 4.2Å; W125-Y146 WeakPolarHBondContact CZ2-O 3.38Å; L141-Y146 HydrophobicContact CD1-CD1 3.77Å; L141-Y146 HydrophobicContact CD1-CD2 4.16Å; L141-Y146 HydrophobicContact CD1-CE1 4.49Å; L141-Y146 HydrophobicContact CD1-CG 3.55Å; L141-Y146 HydrophobicContact CD2-CD1 3.73Å; L141-Y146 HydrophobicContact CD2-CE1 4.11Å; L141-Y146 HydrophobicContact CD2-CG 4.4Å; L141-Y146 HydrophobicContact CG-CD1 3.74Å; L141-Y146 HydrophobicContact CG-CG 3.96Å; L141-Y146 WeakPolarHBondContact O-CB 3.26Å; Y146-P148 HydrophobicContact CE1-CB 3.79Å; Y146-P148 HydrophobicContact CE1-CG 4.39Å; Y146-H155 AromaticContact CD2-CD2 3.99Å; Y146-H155 AromaticContact CD2-CE1 3.53Å; Y146-H155 AromaticContact CD2-ND1 3.95Å; Y146-H155 AromaticContact CD2-NE2 3.56Å
147D98.1Very high97.7Very high36 Ų3652.8 Ų52.819%0.19327%0.274CS..  trans-138.2112.9173.5-177.7-15.6000108.6F149 K150D147-F149 PolarHBondContact O-N 2.85Å; D147-F149 VanDerWaalsContact O-N 3.11Å; D147-F149 PolarHBondContact OD1-N 3.4Å; D147-K150 HydrophobicContact CB-CB 4.26Å; D147-K150 HydrophobicContact CB-CD 4Å; D147-K150 HydrophobicContact CB-CG 4.11Å; D147-K150 PolarHBondContact O-N 2.76Å; D147-K150 VanDerWaalsContact O-N 3.1Å; D147-K150 WeakPolarHBondContact OD2-CD 3.48Å; D147-K150 WeakPolarHBondContact OD2-CE 3.46Å; D147-K150 IonicContact OD2-NZ 3.32Å; D147-K150 PolarHBondContact OD2-NZ 3.03Å
148P97.6Very high97.7Very high3 Ų355.7 Ų55.72%0.01930%0.304CS..THydrogen-bonded Turntrans-66.6-13.3-176.428-34.1000113.7V19 I29 K98 W125 Y146V19-P148 HydrophobicContact CG1-CB 3.75Å; I29-P148 HydrophobicContact CG2-CB 4.22Å; I29-P148 HydrophobicContact CG2-CG 3.93Å; K98-P148 HydrophobicContact CD-CB 4.4Å; K98-P148 WeakPolarHBondContact CD-O 3.43Å; K98-P148 PolarHBondContact NZ-O 2.72Å; W125-P148 HydrophobicContact CB-CG 4.4Å; W125-P148 HydrophobicContact CD2-CG 3.58Å; W125-P148 HydrophobicContact CE3-CG 3.71Å; W125-P148 HydrophobicContact CG-CG 3.89Å; W125-P148 HydrophobicContact CZ3-CG 4.25Å; Y146-P148 HydrophobicContact CE1-CB 3.79Å; Y146-P148 HydrophobicContact CE1-CG 4.39Å
149F97.8Very high97.7Very high88 Ų8859.3 Ų59.339%0.38632%0.318SS..THydrogen-bonded Turntrans-100.48.7178.7-52.3-63000113T21 R27 W125 D147T21-F149 HydrophobicContact CG2-CE1 4.14Å; R27-F149 HydrophobicContact CB-CE2 4.23Å; R27-F149 HydrophobicContact CB-CZ 4.35Å; R27-F149 WeakPolarHBondContact O-CE2 3.37Å; R27-F149 WeakPolarHBondContact O-CZ 3.43Å; W125-F149 HydrophobicContact CB-CD2 4.37Å; W125-F149 HydrophobicContact CB-CE2 3.62Å; W125-F149 HydrophobicContact CG-CE2 4.22Å; D147-F149 PolarHBondContact O-N 2.85Å; D147-F149 VanDerWaalsContact O-N 3.11Å; D147-F149 PolarHBondContact OD1-N 3.4Å
150K97.8Very high97.7Very high115 Ų11564 Ų6450%0.534%0.34SS..  trans-111.5154.5164.4-64.1178.8-173.4158.10109.8K98 D147K98-K150 PolarHBondContact NZ-O 3.32Å; D147-K150 HydrophobicContact CB-CB 4.26Å; D147-K150 HydrophobicContact CB-CD 4Å; D147-K150 HydrophobicContact CB-CG 4.11Å; D147-K150 PolarHBondContact O-N 2.76Å; D147-K150 VanDerWaalsContact O-N 3.1Å; D147-K150 WeakPolarHBondContact OD2-CD 3.48Å; D147-K150 WeakPolarHBondContact OD2-CE 3.46Å; D147-K150 IonicContact OD2-NZ 3.32Å; D147-K150 PolarHBondContact OD2-NZ 3.03Å
151E96.8Very high97.6Very high118 Ų11864.3 Ų64.355%0.55134%0.344SS*.  trans-109.6-7.6-178.6-59.7-57.6141.800112.8R76 K98R76-E151 IonicContact CZ-OE1 2.84Å; R76-E151 IonicContact CZ-OE2 2.88Å; R76-E151 VanDerWaalsContact CZ-OE2 3.32Å; R76-E151 IonicContact NE-OE2 3.85Å; R76-E151 PolarHBondContact NE-OE2 2.86Å; R76-E151 VanDerWaalsContact NH2-CD 3.26Å; R76-E151 IonicContact NH2-OE1 2.96Å; R76-E151 PolarHBondContact NH2-OE1 3.05Å; R76-E151 IonicContact NH2-OE2 3.57Å; R76-E151 PolarHBondContact NH2-OE2 3.17Å; K98-E151 VanDerWaalsContact NZ-CD 3.33Å; K98-E151 IonicContact NZ-OE1 2.77Å; K98-E151 PolarHBondContact NZ-OE1 2.76Å; K98-E151 IonicContact NZ-OE2 3.81Å; K98-E151 PolarHBondContact NZ-OE2 3.13Å
152D98.1Very high97.5Very high72 Ų7269.7 Ų69.739%0.38537%0.373SS..  trans-74.8159.217268.896.2000111.7N154D152-N154 VanDerWaalsContact CG-ND2 3.35Å; D152-N154 WeakPolarHBondContact OD1-CB 3.35Å; D152-N154 PolarHBondContact OD1-N 3.35Å; D152-N154 VanDerWaalsContact OD1-N 3.16Å; D152-N154 PolarHBondContact OD1-ND2 3.15Å
153L98.6Very high97.2Very high77 Ų7772.4 Ų72.440%0.40339%0.386SS..  trans-109.728.6178.5-58.7177.8000111.7F77 A78 H155 L156F77-L153 HydrophobicContact CD1-CD1 3.98Å; F77-L153 HydrophobicContact CD1-CD2 4.33Å; F77-L153 HydrophobicContact CE1-CD1 4.08Å; F77-L153 HydrophobicContact CE1-CD2 4.43Å; A78-L153 WeakPolarHBondContact O-CD2 3.21Å; L153-H155 PolarHBondContact O-N 3.15Å; L153-L156 PolarHBondContact O-N 3.17Å; L153-L156 VanDerWaalsContact O-N 3.09Å
154N98.4Very high96.2Very high109 Ų10974.9 Ų74.958%0.58340%0.401SS*.G310 helixtrans-66.1-22.7-173.6-68-42000113D152 L156 V157D152-N154 VanDerWaalsContact CG-ND2 3.35Å; D152-N154 WeakPolarHBondContact OD1-CB 3.35Å; D152-N154 PolarHBondContact OD1-N 3.35Å; D152-N154 VanDerWaalsContact OD1-N 3.16Å; D152-N154 PolarHBondContact OD1-ND2 3.15Å; N154-L156 PolarHBondContact O-N 3.43Å; N154-L156 VanDerWaalsContact O-N 3.15Å; N154-V157 WeakPolarHBondContact O-CB 3.4Å; N154-V157 PolarHBondContact O-N 3.4Å
155H98.4Very high96.1Very high25 Ų2577.3 Ų77.312%0.11642%0.415CS..G310 helixtrans-60.8-17.7173.360.7-78000113.5A78 S79 Q144 Y146 L153A78-H155 PolarHBondContact O-CE1 3.41Å; A78-H155 VanDerWaalsContact O-CE1 3.25Å; A78-H155 PolarHBondContact O-NE2 3.48Å; S79-H155 PolarHBondContact OG-CD2 3.26Å; S79-H155 PolarHBondContact OG-NE2 2.72Å; Q144-H155 HydrophobicContact CB-CB 4.24Å; Q144-H155 VanDerWaalsContact O-CB 3.24Å; Q144-H155 WeakPolarHBondContact O-CB 3.21Å; Y146-H155 AromaticContact CD2-CD2 3.99Å; Y146-H155 AromaticContact CD2-CE1 3.53Å; Y146-H155 AromaticContact CD2-ND1 3.95Å; Y146-H155 AromaticContact CD2-NE2 3.56Å; L153-H155 PolarHBondContact O-N 3.15Å
156L98.4Very high96.1Very high40 Ų4078.5 Ų78.521%0.20941%0.408CS..G310 helixtrans-91.9-10.8173.4-74.6173.4000113.8F77 S79 V80 L153 N154 G158 Y159F77-L156 HydrophobicContact CE1-CD1 3.87Å; F77-L156 HydrophobicContact CZ-CD1 4.02Å; S79-L156 WeakPolarHBondContact OG-CD2 3.39Å; V80-L156 HydrophobicContact CG1-CD2 4.43Å; L153-L156 PolarHBondContact O-N 3.17Å; L153-L156 VanDerWaalsContact O-N 3.09Å; N154-L156 PolarHBondContact O-N 3.43Å; N154-L156 VanDerWaalsContact O-N 3.15Å; L156-G158 PolarHBondContact O-N 3.19Å; L156-Y159 HydrophobicContact CD2-CD1 4.13Å; L156-Y159 HydrophobicContact CD2-CG 4.31Å; L156-Y159 WeakPolarHBondContact O-CB 3.14Å; L156-Y159 PolarHBondContact O-N 2.98Å
157V98.3Very high96Very high117 Ų11782.3 Ų82.371%0.70943%0.428SS*.THydrogen-bonded Turntrans-64120.8-177.8174.50000109.7N154 Y159N154-V157 WeakPolarHBondContact O-CB 3.4Å; N154-V157 PolarHBondContact O-N 3.4Å; V157-Y159 VanDerWaalsContact C-N 3.26Å; V157-Y159 PolarHBondContact O-N 3.42Å
158G97.8Very high95.8Very high66 Ų6685.1 Ų85.168%0.6844%0.442SS*.THydrogen-bonded Turntrans78.24.5-177.700000114.7L156 K160L156-G158 PolarHBondContact O-N 3.19Å; G158-K160 PolarHBondContact O-N 2.92Å
159Y98.1Very high95.7Very high81 Ų8190.2 Ų90.232%0.31847%0.468SS..  trans-62.1130.6175.9-174.2-114.9000111.2V81 N82 Q144 L156 V157V81-Y159 WeakPolarHBondContact CA-OH 3.4Å; N82-Y159 PolarHBondContact N-OH 2.96Å; Q144-Y159 HydrophobicContact CG-CD2 4.17Å; Q144-Y159 HydrophobicContact CG-CE2 4.14Å; Q144-Y159 VanDerWaalsContact NE2-CE2 3.35Å; Q144-Y159 VanDerWaalsContact NE2-CZ 3.34Å; L156-Y159 HydrophobicContact CD2-CD1 4.13Å; L156-Y159 HydrophobicContact CD2-CG 4.31Å; L156-Y159 WeakPolarHBondContact O-CB 3.14Å; L156-Y159 PolarHBondContact O-N 2.98Å; V157-Y159 VanDerWaalsContact C-N 3.26Å; V157-Y159 PolarHBondContact O-N 3.42Å
160K97.9Very high95.6Very high169 Ų16990.3 Ų90.374%0.73547%0.474SS*.  trans-117.2-3.2-176.7-71.3171.4-176.3-74.30113.8G158 N162G158-K160 PolarHBondContact O-N 2.92Å; K160-N162 VanDerWaalsContact C-N 3.28Å; K160-N162 PolarHBondContact O-N 3.28Å
161G95.9Very high95.4Very high12 Ų1288.6 Ų88.612%0.12447%0.472CS..  trans67.828.2-172.100000113.6N82N82-G161 PolarHBondContact ND2-O 2.96Å
162N95.2Very high95.3Very high113 Ų11386.3 Ų86.360%0.60447%0.466SS*.  trans-61.4148.9175.5-67.6-13.6000110.5K160K160-N162 VanDerWaalsContact C-N 3.28Å; K160-N162 PolarHBondContact O-N 3.28Å
163H89.4Confident95.1Very high116 Ų11687.5 Ų87.554%0.53747%0.473SS..  trans-71.7151.8175.1-48.4-31.6000110.6F84F84-H163 HydrophobicContact CD1-CB 4.44Å; F84-H163 AromaticContact CD1-CD2 3.69Å; F84-H163 AromaticContact CD1-CE1 3.73Å; F84-H163 AromaticContact CD1-CG 3.69Å; F84-H163 AromaticContact CD1-ND1 3.72Å; F84-H163 AromaticContact CD1-NE2 3.73Å
164L74.8Confident94.8Very high125 Ų12588.5 Ų88.565%0.65448%0.479SS*.  trans-830175.3-56.9179.7000112.2R139 C140 E143R139-L164 HydrophobicContact CG-CD1 4.31Å; C140-L164 VanDerWaalsContact SG-CD1 3.55Å; E143-L164 WeakPolarHBondContact OE2-CD1 3.21Å; E143-L164 WeakPolarHBondContact OE2-CD2 3.21Å; E143-L164 WeakPolarHBondContact OE2-CG 3.3Å

Retrieved 164 of 164 residues in 68.7 ms (Link to these results)

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