A0A096NVU4_PAPAN Loading...

Sushi domain containing 6

AlphaFold DB (A0A663D710), UniProt , Accession A0A096NVU4, Species PAPAN (Papio anubis, Olive baboon), Gene SUSD6, Length 303 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.6Very low43.5Very low238 Ų238151.4 Ų151.4100%1.17284%0.843SS**  0129.60-64.3157161.800107.8
2C40.7Very low43.1Very low107 Ų107146.4 Ų146.472%0.72383%0.827SS**  cis-154138.9-14.5-890000108.8
3H41Very low43.2Very low184 Ų184144.7 Ų144.785%0.85282%0.821SS**  trans41.6118.7148.4-64.5-94.1000120.7
4G46.2Very low43.1Very low79 Ų79147.2 Ų147.281%0.81482%0.819SS**  trans-74.3177166.900000114
5R44.4Very low43Very low252 Ų252143.5 Ų143.595%0.95182%0.815SS**  trans-125.9123.1168.5-85.6-176.115595.5-2.6109.8
6I50.2Low43.1Very low169 Ų169143.5 Ų143.587%0.86782%0.818SS**PPolyproline II helixtrans-85127.1171.6-62.1160.5000106.9
7A47.4Very low43.3Very low88 Ų88139.6 Ų139.673%0.72781%0.808SS**PPolyproline II helixtrans-77.1132.617200000109.8K9A7-K9 PolarHBondContact O-N 3.18Å
8P47.4Very low43.8Very low127 Ų127138.3 Ų138.383%0.82581%0.807SS**PPolyproline II helixtrans-72.9128.2-178.828.7-33.3000111.2S10P8-S10 PolarHBondContact O-N 2.87Å
9K41.4Very low44.3Very low191 Ų191136.5 Ų136.583%0.8380%0.798SS**  trans-75111.7171.5-164.4171.9-173.7176.40108.2A7 T11A7-K9 PolarHBondContact O-N 3.18Å; K9-T11 VanDerWaalsContact C-N 3.33Å; K9-T11 PolarHBondContact O-N 2.96Å
10S39.3Very low44.8Very low119 Ų119131.9 Ų131.983%0.83278%0.781SS**  trans-74.283.7-179.5-167.90000111.4P8 S12P8-S10 PolarHBondContact O-N 2.87Å; S10-S12 PolarHBondContact O-N 3.19Å
11T44.7Very low45.4Very low111 Ų111133.1 Ų133.168%0.68178%0.779SS**  trans-82.699.116436.80000109.2K9 V13K9-T11 VanDerWaalsContact C-N 3.33Å; K9-T11 PolarHBondContact O-N 2.96Å; T11-V13 VanDerWaalsContact C-N 3.32Å; T11-V13 PolarHBondContact O-N 3.21Å
12S39.1Very low46.5Very low92 Ų92124.8 Ų124.864%0.64375%0.754SS**  trans-69.687.1171.8-176.40000110.4S10 F14S10-S12 PolarHBondContact O-N 3.19Å; S12-F14 PolarHBondContact O-N 2.99Å; S12-F14 VanDerWaalsContact O-N 3.15Å
13V43.9Very low47.4Very low124 Ų124123.9 Ų123.975%0.75275%0.745SS**  trans-70.1105.7167.4179.10000107.4T11 A15T11-V13 VanDerWaalsContact C-N 3.32Å; T11-V13 PolarHBondContact O-N 3.21Å; V13-A15 PolarHBondContact O-N 3.15Å
14F42.2Very low48.4Very low180 Ų180121.9 Ų121.979%0.78973%0.734SS**  trans-64.5103.7167.5-87-89.4000108.5S12 V16S12-F14 PolarHBondContact O-N 2.99Å; S12-F14 VanDerWaalsContact O-N 3.15Å; F14-V16 PolarHBondContact O-N 2.97Å
15A40.8Very low49.4Very low92 Ų92123.5 Ų123.576%0.7672%0.723SS**  trans-65.7103.1170.600000108.5V13 A17V13-A15 PolarHBondContact O-N 3.15Å; A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 3.45Å
16V44.9Very low50.5Low143 Ų143114.9 Ų114.987%0.86770%0.7SS**  trans-72.586.9175.1-1560000107.8F14 S18F14-V16 PolarHBondContact O-N 2.97Å; V16-S18 PolarHBondContact O-N 2.81Å
17A47Very low51.4Low78 Ų78111.4 Ų111.465%0.64568%0.683SS**  trans-61.9128.117400000109A15 V19A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 3.45Å; A17-V19 VanDerWaalsContact C-N 3.34Å; A17-V19 PolarHBondContact O-N 3.47Å
18S52.7Low52.4Low115 Ų115110.3 Ų110.380%0.80467%0.667SS**  trans-67.290178-1740000110.3V16V16-S18 PolarHBondContact O-N 2.81Å
19V53Low53.4Low104 Ų104108.5 Ų108.563%0.6365%0.649SS**  trans-84.7129.6168.6178.10000108A17 V23A17-V19 VanDerWaalsContact C-N 3.34Å; A17-V19 PolarHBondContact O-N 3.47Å; V19-V23 HydrophobicContact CG1-CB 4.42Å
20G53.8Low54.7Low44 Ų44103.8 Ų103.845%0.45463%0.632SS.*  trans-56.1142.9-167.800000114.3G22 V23G20-G22 PolarHBondContact O-N 3.08Å; G20-V23 PolarHBondContact O-N 3.48Å
21H56.8Low56Low159 Ų159102 Ų10274%0.73662%0.619SS**Hα-helixtrans-58-21.4-174.7-58.73000113.7V23H21-V23 VanDerWaalsContact C-N 3.32Å; H21-V23 PolarHBondContact O-N 3.07Å
22G60.7Low57.1Low63 Ų63100.5 Ų100.565%0.64961%0.61SS**Hα-helixtrans-71.1-15.3175.300000115.8G20 P26G20-G22 PolarHBondContact O-N 3.08Å; G22-P26 WeakPolarHBondContact O-CD 3.44Å; G22-P26 VanDerWaalsContact O-CG 3.26Å; G22-P26 WeakPolarHBondContact O-CG 3.4Å
23V58.9Low58.2Low87 Ų87102.2 Ų102.253%0.52761%0.611SS.*Hα-helixtrans-99.4-26.2174.8-173.10000111.5V19 G20 H21 P26 L27V19-V23 HydrophobicContact CG1-CB 4.42Å; G20-V23 PolarHBondContact O-N 3.48Å; H21-V23 VanDerWaalsContact C-N 3.32Å; H21-V23 PolarHBondContact O-N 3.07Å; V23-P26 WeakPolarHBondContact O-CD 3.49Å; V23-P26 WeakPolarHBondContact O-CG 3.35Å; V23-L27 VanDerWaalsContact O-CB 3.24Å; V23-L27 WeakPolarHBondContact O-CB 3.3Å; V23-L27 PolarHBondContact O-N 3.38Å
24F62.7Low58.9Low142 Ų142102.3 Ų102.362%0.62361%0.607SS**Hα-helixtrans-65.5-41.4179-155-94.7000112.1L27 V28F24-L27 PolarHBondContact O-N 2.9Å; F24-V28 HydrophobicContact CD1-CG2 3.78Å; F24-V28 HydrophobicContact CE1-CG2 3.68Å; F24-V28 HydrophobicContact CZ-CG2 4.42Å; F24-V28 WeakPolarHBondContact O-CB 3.31Å; F24-V28 VanDerWaalsContact O-CG2 3.25Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 2.9Å
25L65.4Low59.6Low114 Ų11496.1 Ų96.160%0.59759%0.593SS**Hα-helixtrans-61-54.9175.6-81.9162.6000113.7L27 V28 I29L25-L27 VanDerWaalsContact C-N 3.28Å; L25-L27 PolarHBondContact O-N 3.3Å; L25-V28 PolarHBondContact O-N 3.3Å; L25-I29 WeakPolarHBondContact O-CB 3.43Å; L25-I29 WeakPolarHBondContact O-CD1 3.43Å; L25-I29 WeakPolarHBondContact O-CG1 3.32Å; L25-I29 PolarHBondContact O-N 2.86Å
26P68.4Low60.3Low71 Ų7199.2 Ų99.246%0.46160%0.597SS.*Hα-helixtrans-66-28.2177.225-33.8000112.9G22 V23 L30G22-P26 WeakPolarHBondContact O-CD 3.44Å; G22-P26 VanDerWaalsContact O-CG 3.26Å; G22-P26 WeakPolarHBondContact O-CG 3.4Å; V23-P26 WeakPolarHBondContact O-CD 3.49Å; V23-P26 WeakPolarHBondContact O-CG 3.35Å; P26-L30 WeakPolarHBondContact O-CB 2.98Å; P26-L30 PolarHBondContact O-N 3.46Å
27L68.6Low60.7Low96 Ų9695.4 Ų95.450%0.50359%0.587SS.*Hα-helixtrans-69.2-44172.5-17371.2000111.8V23 F24 L25 L30 C31V23-L27 VanDerWaalsContact O-CB 3.24Å; V23-L27 WeakPolarHBondContact O-CB 3.3Å; V23-L27 PolarHBondContact O-N 3.38Å; F24-L27 PolarHBondContact O-N 2.9Å; L25-L27 VanDerWaalsContact C-N 3.28Å; L25-L27 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 3.34Å; L27-C31 WeakPolarHBondContact O-CB 3.35Å; L27-C31 PolarHBondContact O-N 3.37Å; L27-C31 PolarHBondContact O-SG 2.94Å
28V69Low61.2Low65 Ų6599.3 Ų99.339%0.39460%0.596SS.*Hα-helixtrans-64.4-43.6174.9168.30000110.6F24 L25 L30 C31 T32F24-V28 HydrophobicContact CD1-CG2 3.78Å; F24-V28 HydrophobicContact CE1-CG2 3.68Å; F24-V28 HydrophobicContact CZ-CG2 4.42Å; F24-V28 WeakPolarHBondContact O-CB 3.31Å; F24-V28 VanDerWaalsContact O-CG2 3.25Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 2.9Å; L25-V28 PolarHBondContact O-N 3.3Å; V28-L30 VanDerWaalsContact C-N 3.35Å; V28-L30 PolarHBondContact O-N 3.49Å; V28-C31 PolarHBondContact O-N 2.67Å; V28-T32 PolarHBondContact O-N 3.5Å; V28-T32 PolarHBondContact O-OG1 3.24Å
29I69Low61.6Low89 Ų8997.5 Ų97.546%0.45659%0.588SS.*Hα-helixtrans-60.9-43.9174.8-69.5163.8000110.4L25 T32 L33L25-I29 WeakPolarHBondContact O-CB 3.43Å; L25-I29 WeakPolarHBondContact O-CD1 3.43Å; L25-I29 WeakPolarHBondContact O-CG1 3.32Å; L25-I29 PolarHBondContact O-N 2.86Å; I29-T32 WeakPolarHBondContact CA-OG1 3.47Å; I29-T32 PolarHBondContact O-N 3.46Å; I29-T32 PolarHBondContact O-OG1 2.89Å; I29-L33 HydrophobicContact CG2-CD1 3.68Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 VanDerWaalsContact O-CG 3.23Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 3.27Å
30L67.9Low62.8Low91 Ų9194.7 Ų94.748%0.47657%0.573SS.*Hα-helixtrans-62.5-42.3174.8-175.966.6000111.6P26 L27 V28 L33 L34P26-L30 WeakPolarHBondContact O-CB 2.98Å; P26-L30 PolarHBondContact O-N 3.46Å; L27-L30 PolarHBondContact O-N 3.34Å; V28-L30 VanDerWaalsContact C-N 3.35Å; V28-L30 PolarHBondContact O-N 3.49Å; L30-L33 PolarHBondContact O-N 3.31Å; L30-L34 HydrophobicContact CD1-CD1 3.86Å; L30-L34 HydrophobicContact CG-CD1 4.41Å; L30-L34 WeakPolarHBondContact O-CB 3.2Å; L30-L34 PolarHBondContact O-N 3.45Å
31C67Low64.6Low81 Ų8195.5 Ų95.555%0.54757%0.569SS.*Hα-helixtrans-64.6-38.2175.5-72.10000112.6L27 V28 G35L27-C31 WeakPolarHBondContact O-CB 3.35Å; L27-C31 PolarHBondContact O-N 3.37Å; L27-C31 PolarHBondContact O-SG 2.94Å; V28-C31 PolarHBondContact O-N 2.67Å; C31-G35 PolarHBondContact O-N 2.92Å
32T67.1Low66.2Low80 Ų8088.2 Ų88.249%0.49154%0.536SS..Hα-helixtrans-69.6-37.5173.250.40000112.1V28 I29 G35V28-T32 PolarHBondContact O-N 3.5Å; V28-T32 PolarHBondContact O-OG1 3.24Å; I29-T32 WeakPolarHBondContact CA-OG1 3.47Å; I29-T32 PolarHBondContact O-N 3.46Å; I29-T32 PolarHBondContact O-OG1 2.89Å; T32-G35 PolarHBondContact O-N 2.62Å
33L61.7Low67.6Low128 Ų12889.2 Ų89.267%0.6753%0.531SS*.Hα-helixtrans-75.2-25.9178.3-69.9171.3000113.5I29 L30I29-L33 HydrophobicContact CG2-CD1 3.68Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 VanDerWaalsContact O-CG 3.23Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 3.27Å; L30-L33 PolarHBondContact O-N 3.31Å
34L60.2Low69Low127 Ų12790.8 Ų90.867%0.66554%0.536SS*.Hα-helixtrans-83.6-20.5170-103.462.5000113L30L30-L34 HydrophobicContact CD1-CD1 3.86Å; L30-L34 HydrophobicContact CG-CD1 4.41Å; L30-L34 WeakPolarHBondContact O-CB 3.2Å; L30-L34 PolarHBondContact O-N 3.45Å
35G55.4Low70.3Confident49 Ų4984.3 Ų84.351%0.50551%0.508SS..Hα-helixtrans-70-37.9-176.500000113.8C31 T32 G37C31-G35 PolarHBondContact O-N 2.92Å; T32-G35 PolarHBondContact O-N 2.62Å; G35-G37 VanDerWaalsContact C-N 3.34Å; G35-G37 PolarHBondContact O-N 3.12Å
36D57.3Low71.3Confident158 Ų15883.2 Ų83.285%0.84551%0.508SS*.THydrogen-bonded Turntrans-95.425.9-170.1-63.4-33.2000113.7
37G51.8Low72.2Confident62 Ų6286.3 Ų86.364%0.63952%0.516SS*.THydrogen-bonded Turntrans-119.9-7.5-170.700000116.7G35 A39G35-G37 VanDerWaalsContact C-N 3.34Å; G35-G37 PolarHBondContact O-N 3.12Å; G37-A39 PolarHBondContact O-N 2.78Å
38L58.1Low73.3Confident160 Ų16082.4 Ų82.484%0.83850%0.496SS*.SBendtrans-75108.7174.4-66.3179.5000109.2S40L38-S40 PolarHBondContact O-N 3Å; L38-S40 VanDerWaalsContact O-N 3.13Å
39A61Low74.3Confident77 Ų7787 Ų8764%0.63651%0.514SS*.  trans-48124.1165.700000108.1G37 V41G37-A39 PolarHBondContact O-N 2.78Å; A39-V41 PolarHBondContact O-N 2.89Å
40S79.3Confident75.4Confident46 Ų4686 Ų8632%0.32251%0.509SS..  trans-7773.2-167.840.70000111.4L38 A66L38-S40 PolarHBondContact O-N 3Å; L38-S40 VanDerWaalsContact O-N 3.13Å; S40-A66 PolarHBondContact O-N 3.32Å; S40-A66 WeakPolarHBondContact OG-CB 3.34Å
41V89.6Confident76.6Confident61 Ų6183 Ų8337%0.3750%0.5SS..BIsolated β-bridgetrans-74.2129.4175.7169.60000108.9A39 P63 L64 T65 G92A39-V41 PolarHBondContact O-N 2.89Å; V41-P63 HydrophobicContact CB-CB 4.45Å; V41-P63 HydrophobicContact CG1-CB 3.72Å; V41-P63 HydrophobicContact CG2-CB 3.81Å; V41-P63 HydrophobicContact CG2-CG 4.01Å; V41-L64 WeakPolarHBondContact CA-O 3.49Å; V41-T65 HydrophobicContact CG2-CG2 4.24Å; V41-G92 WeakPolarHBondContact O-CA 3.17Å
42C90.8Very high77.9Confident5 Ų579.8 Ų79.83%0.03448%0.481CS..PPolyproline II helixtrans-81.1149.8171-70.10000110.9L64 C89 E93 W94C42-L64 PolarHBondContact N-O 2.78Å; C42-C89 HydrophobicContact CB-CB 3.87Å; C42-C89 WeakPolarHBondContact CB-SG 3.31Å; C42-C89 WeakPolarHBondContact SG-CA 3.34Å; C42-C89 WeakPolarHBondContact SG-CB 2.98Å; C42-C89 CovalentContact SG-SG 2.02Å; C42-C89 PolarHBondContact SG-SG 2.92Å; C42-E93 VanDerWaalsContact SG-C 3.56Å; C42-E93 PolarHBondContact SG-N 3.28Å; C42-E93 VanDerWaalsContact SG-N 3.44Å; C42-W94 HydrophobicContact CB-CD2 4.18Å; C42-W94 HydrophobicContact CB-CH2 4.42Å; C42-W94 HydrophobicContact CB-CZ2 3.66Å
43P90.5Very high79.2Confident84 Ų8478.3 Ų78.355%0.54547%0.467SS..PPolyproline II helixtrans-61.7160.9170.829-35.9000110.6G92 W94P43-G92 VanDerWaalsContact CD-O 3.29Å; P43-G92 WeakPolarHBondContact CD-O 3.31Å; P43-W94 PolarHBondContact O-NE1 3.32Å
44L89.4Confident80.7Confident121 Ų12173.8 Ų73.863%0.63444%0.443SS*.PPolyproline II helixtrans-56.9133173.5-165.669.7000109.7Y53L44-Y53 WeakPolarHBondContact CD1-OH 3.4Å
45P88.9Confident82.3Confident5 Ų568.1 Ų68.13%0.03241%0.414CS..PPolyproline II helixtrans-61.9141.3179.2-20.331.2000111.7E47 Y53 L64 I70 Y72 W94P45-E47 PolarHBondContact O-N 2.82Å; P45-Y53 HydrophobicContact CB-CD1 4.13Å; P45-Y53 HydrophobicContact CB-CE1 3.96Å; P45-Y53 HydrophobicContact CB-CE2 4.35Å; P45-Y53 HydrophobicContact CB-CG 4.42Å; P45-Y53 HydrophobicContact CG-CD2 4.21Å; P45-Y53 HydrophobicContact CG-CE1 4.29Å; P45-Y53 HydrophobicContact CG-CE2 3.84Å; P45-L64 HydrophobicContact CG-CD1 4.17Å; P45-I70 HydrophobicContact CB-CD1 3.58Å; P45-I70 HydrophobicContact CG-CD1 3.51Å; P45-I70 HydrophobicContact CG-CG2 4.26Å; P45-Y72 WeakPolarHBondContact CB-OH 3.49Å; P45-W94 HydrophobicContact CG-CH2 4.37Å; P45-W94 HydrophobicContact CG-CZ2 3.71Å
46P85.7Confident84.1Confident92 Ų9269.2 Ų69.260%0.59741%0.405SS*.PPolyproline II helixtrans-67.9122.317328.7-33.8000110Y72P46-Y72 WeakPolarHBondContact O-CE1 3.49Å; P46-Y72 PolarHBondContact O-OH 3.5Å; P46-Y72 VanDerWaalsContact O-OH 3.05Å
47E89.1Confident85.7Confident135 Ų13566.7 Ų66.763%0.63140%0.398SS*.PPolyproline II helixtrans-80.1124.3178.4-163.1161.8-156.100110.5P45 G52 Y53P45-E47 PolarHBondContact O-N 2.82Å; E47-G52 WeakPolarHBondContact OE1-CA 3.34Å; E47-Y53 HydrophobicContact CB-CE1 4.42Å; E47-Y53 HydrophobicContact CG-CD1 4.5Å
48P89.8Confident87.6Confident14 Ų1472.1 Ų72.19%0.09140%0.399CS..PPolyproline II helixtrans-73.7144.8-179.128.5-33.8000111.7G51 Y72 I100P48-G51 CarbonylContact O-C 3.6Å; P48-G51 PolarHBondContact O-N 3.21Å; P48-G51 VanDerWaalsContact O-N 3.13Å; P48-Y72 HydrophobicContact CG-CD1 3.96Å; P48-Y72 HydrophobicContact CG-CE1 4.31Å; P48-I100 HydrophobicContact CB-CG2 4.04Å; P48-I100 HydrophobicContact CG-CG2 4.02Å
49E90.7Very high89.1Confident163 Ų16369.4 Ų69.476%0.76239%0.391SS*.THydrogen-bonded Turntrans-56.8139.8166.4-166.3180179.800109.9G51 C102E49-G51 PolarHBondContact O-N 3.44Å; E49-C102 WeakPolarHBondContact O-CB 3.23Å
50N92.9Very high90.5Very high66 Ų6668.2 Ų68.235%0.35338%0.377SS..THydrogen-bonded Turntrans54.233.9-173-50.2113.6000114.1A75 Y78 C102N50-A75 VanDerWaalsContact O-CB 3.26Å; N50-A75 WeakPolarHBondContact O-CB 3.22Å; N50-A75 PolarHBondContact O-N 2.91Å; N50-Y78 HydrophobicContact CB-CD1 3.63Å; N50-Y78 HydrophobicContact CB-CD2 4.08Å; N50-Y78 HydrophobicContact CB-CE1 3.56Å; N50-Y78 HydrophobicContact CB-CE2 4.03Å; N50-Y78 HydrophobicContact CB-CG 3.91Å; N50-Y78 VanDerWaalsContact CG-CE1 3.4Å; N50-Y78 VanDerWaalsContact CG-CZ 3.42Å; N50-Y78 PolarHBondContact ND2-OH 2.78Å; N50-Y78 VanDerWaalsContact OD1-CE1 3.25Å; N50-Y78 WeakPolarHBondContact OD1-CE1 3.16Å; N50-C102 HydrophobicContact CB-CB 4.47Å
51G93.6Very high90.8Very high28 Ų2875.2 Ų75.229%0.28940%0.397SS..EExtended strand (participates in β ladder)trans-160-162.217500000113.4P48 E49 L73P48-G51 CarbonylContact O-C 3.6Å; P48-G51 PolarHBondContact O-N 3.21Å; P48-G51 VanDerWaalsContact O-N 3.13Å; E49-G51 PolarHBondContact O-N 3.44Å; G51-L73 CarbonylContact C-O 3.57Å; G51-L73 WeakPolarHBondContact CA-O 3.02Å
52G93.8Very high90.7Very high14 Ų1478.4 Ų78.414%0.14441%0.411CS..EExtended strand (participates in β ladder)trans-171.1-177-179.800000111.2E47 Y72 L73E47-G52 WeakPolarHBondContact OE1-CA 3.34Å; G52-Y72 WeakPolarHBondContact O-CA 3.3Å; G52-Y72 WeakPolarHBondContact O-CD1 3.46Å; G52-L73 PolarHBondContact N-O 2.91Å; G52-L73 PolarHBondContact O-N 3.24Å
53Y93.9Very high90.5Very high50 Ų5082 Ų8220%0.19644%0.435CS..EExtended strand (participates in β ladder)trans-134.5159.1172.764.2-87.9000113L44 P45 E47 I70 E71 Y72L44-Y53 WeakPolarHBondContact CD1-OH 3.4Å; P45-Y53 HydrophobicContact CB-CD1 4.13Å; P45-Y53 HydrophobicContact CB-CE1 3.96Å; P45-Y53 HydrophobicContact CB-CE2 4.35Å; P45-Y53 HydrophobicContact CB-CG 4.42Å; P45-Y53 HydrophobicContact CG-CD2 4.21Å; P45-Y53 HydrophobicContact CG-CE1 4.29Å; P45-Y53 HydrophobicContact CG-CE2 3.84Å; E47-Y53 HydrophobicContact CB-CE1 4.42Å; E47-Y53 HydrophobicContact CG-CD1 4.5Å; Y53-I70 HydrophobicContact CD2-CB 4.46Å; Y53-I70 HydrophobicContact CD2-CG2 4.2Å; Y53-E71 CarbonylContact C-O 3.52Å; Y53-E71 VanDerWaalsContact CA-O 3.26Å; Y53-E71 WeakPolarHBondContact CA-O 3.44Å; Y53-Y72 HydrophobicContact CD1-CE1 4.04Å; Y53-Y72 HydrophobicContact CG-CE1 4.26Å
54I94Very high90.4Very high33 Ų3378.4 Ų78.417%0.16941%0.411CS..EExtended strand (participates in β ladder)trans-125.6144.8172.955.8169.7000110I70 E71 L73I54-I70 CarbonylContact O-C 3.29Å; I54-I70 VanDerWaalsContact O-CA 3.25Å; I54-I70 WeakPolarHBondContact O-CA 3.1Å; I54-E71 HydrophobicContact CD1-CB 4.25Å; I54-E71 HydrophobicContact CG1-CB 3.83Å; I54-E71 HydrophobicContact CG1-CG 4.5Å; I54-E71 PolarHBondContact N-O 2.98Å; I54-E71 PolarHBondContact O-N 3.41Å; I54-L73 HydrophobicContact CD1-CD1 4.03Å; I54-L73 HydrophobicContact CG1-CD1 4.14Å; I54-L73 HydrophobicContact CG2-CD1 3.96Å
55C93.8Very high90.5Very high8 Ų875.9 Ų75.95%0.05440%0.401CS..EExtended strand (participates in β ladder)trans-90.1150.1172.5-560000112P57 R58 C60 V69C55-P57 CarbonylContact C-O 3.46Å; C55-P57 CarbonylContact O-C 3.59Å; C55-P57 VanDerWaalsContact O-C 3.29Å; C55-R58 WeakPolarHBondContact O-CG 3.45Å; C55-R58 PolarHBondContact O-N 3.37Å; C55-C60 HydrophobicContact CB-CB 3.84Å; C55-C60 WeakPolarHBondContact CB-SG 3.41Å; C55-C60 WeakPolarHBondContact SG-CA 3.21Å; C55-C60 WeakPolarHBondContact SG-CB 3.12Å; C55-C60 CovalentContact SG-SG 2.03Å; C55-C60 PolarHBondContact SG-SG 3.46Å; C55-V69 WeakPolarHBondContact CA-O 3.24Å
56H92Very high90.5Very high72 Ų7277.7 Ų77.733%0.33342%0.416SS..EExtended strand (participates in β ladder)trans-120.1118.5174.8-70.7-70.7000110.1V69 E71H56-V69 HydrophobicContact CB-CB 4.29Å; H56-V69 PolarHBondContact N-O 3.3Å; H56-E71 IonicContact CD2-OE2 3.88Å; H56-E71 IonicContact CE1-OE2 3.45Å; H56-E71 PolarHBondContact CE1-OE2 3.45Å; H56-E71 IonicContact NE2-OE2 2.74Å; H56-E71 PolarHBondContact NE2-OE2 3.08Å
57P91.4Very high90.6Very high105 Ų10576 Ų7668%0.68242%0.416SS*.SBendcis-69.6159.5-7.332-36.2000112.6C55C55-P57 CarbonylContact C-O 3.46Å; C55-P57 CarbonylContact O-C 3.59Å; C55-P57 VanDerWaalsContact O-C 3.29Å
58R91Very high90.8Very high175 Ų17570.9 Ų70.966%0.6640%0.395SS*.SBendtrans-80.1152.1171.4-61.3-178.9-168.1166.84.5110.8C55C55-R58 WeakPolarHBondContact O-CG 3.45Å; C55-R58 PolarHBondContact O-N 3.37Å
59P91.1Very high91Very high104 Ų10472.2 Ų72.268%0.67540%0.402SS*.SBendcis-74.8167.5-10.834-36.4000111.7R61P59-R61 PolarHBondContact O-N 3.35Å
60C89.1Confident91.2Very high51 Ų5164.4 Ų64.435%0.34537%0.366SS..PPolyproline II helixtrans-52.8135.8167-64.20000110.3C55C55-C60 HydrophobicContact CB-CB 3.84Å; C55-C60 WeakPolarHBondContact CB-SG 3.41Å; C55-C60 WeakPolarHBondContact SG-CA 3.21Å; C55-C60 WeakPolarHBondContact SG-CB 3.12Å; C55-C60 CovalentContact SG-SG 2.03Å; C55-C60 PolarHBondContact SG-SG 3.46Å
61R86.1Confident91.3Very high194 Ų19462.2 Ų62.273%0.73235%0.354SS*.  trans-110.8117.9174.9-66.8-177-179.5179.7-0.2108P59 P63 L64P59-R61 PolarHBondContact O-N 3.35Å; R61-P63 CarbonylContact O-C 3.55Å; R61-P63 VanDerWaalsContact O-C 3.23Å; R61-L64 PolarHBondContact O-N 2.89Å
62D86.4Confident91.4Very high127 Ų12761.3 Ų61.368%0.67934%0.341SS*.SBendtrans-89.6133.1173.6-63-54.6000110.1
63P87.1Confident91.4Very high82 Ų8264.3 Ų64.353%0.53235%0.354SS..SBendcis-79.2148.7-1.932.8-35.2000113.7V41 R61 T65V41-P63 HydrophobicContact CB-CB 4.45Å; V41-P63 HydrophobicContact CG1-CB 3.72Å; V41-P63 HydrophobicContact CG2-CB 3.81Å; V41-P63 HydrophobicContact CG2-CG 4.01Å; R61-P63 CarbonylContact O-C 3.55Å; R61-P63 VanDerWaalsContact O-C 3.23Å; P63-T65 PolarHBondContact O-N 2.84Å
64L89.7Confident91.4Very high8 Ų863.8 Ų63.84%0.04236%0.357CS..  trans-71.693.4175.8-65.4170.4000111V41 C42 P45 R61 W94V41-L64 WeakPolarHBondContact CA-O 3.49Å; C42-L64 PolarHBondContact N-O 2.78Å; P45-L64 HydrophobicContact CG-CD1 4.17Å; R61-L64 PolarHBondContact O-N 2.89Å; L64-W94 HydrophobicContact CB-CH2 4.33Å; L64-W94 HydrophobicContact CB-CZ2 4.2Å; L64-W94 HydrophobicContact CD1-CH2 4.09Å; L64-W94 HydrophobicContact CD1-CZ2 3.75Å
65T90Very high91.4Very high68 Ų6864.4 Ų64.442%0.41737%0.367SS..BIsolated β-bridgetrans-77.3162.518058.20000113V41 P63 G67 S68 C89V41-T65 HydrophobicContact CG2-CG2 4.24Å; P63-T65 PolarHBondContact O-N 2.84Å; T65-G67 PolarHBondContact O-N 2.73Å; T65-S68 PolarHBondContact N-OG 2.94Å; T65-S68 WeakPolarHBondContact O-CB 3.29Å; T65-S68 PolarHBondContact O-N 2.85Å; T65-S68 PolarHBondContact O-OG 3.34Å; T65-C89 VanDerWaalsContact C-SG 3.56Å
66A89.3Confident91.3Very high43 Ų4373.4 Ų73.436%0.35541%0.408SS..THydrogen-bonded Turntrans-45.3137.1167.100000112.4S40 C89S40-A66 PolarHBondContact O-N 3.32Å; S40-A66 WeakPolarHBondContact OG-CB 3.34Å; A66-C89 WeakPolarHBondContact CA-O 3.43Å; A66-C89 PolarHBondContact N-SG 2.92Å
67G87.7Confident91.2Very high57 Ų5771.9 Ų71.959%0.58841%0.412SS*.THydrogen-bonded Turntrans90.4-15-17100000114.8T65 V69 C89T65-G67 PolarHBondContact O-N 2.73Å; G67-V69 PolarHBondContact O-N 3.16Å; G67-C89 PolarHBondContact N-O 3.46Å
68S92.5Very high91.2Very high27 Ų2770.5 Ų70.519%0.18939%0.394CS..  trans-62135.1173.3-59.10000110.9T65 T88 C89T65-S68 PolarHBondContact N-OG 2.94Å; T65-S68 WeakPolarHBondContact O-CB 3.29Å; T65-S68 PolarHBondContact O-N 2.85Å; T65-S68 PolarHBondContact O-OG 3.34Å; S68-T88 CarbonylContact O-C 3.59Å; S68-T88 WeakPolarHBondContact O-CA 3.28Å; S68-C89 PolarHBondContact O-N 2.86Å
69V94.8Very high91.3Very high41 Ų4166.2 Ų66.225%0.24838%0.382CS..EExtended strand (participates in β ladder)trans-115.1136.5175.9178.80000109.5C55 H56 G67 Y86 L87 T88C55-V69 WeakPolarHBondContact CA-O 3.24Å; H56-V69 HydrophobicContact CB-CB 4.29Å; H56-V69 PolarHBondContact N-O 3.3Å; G67-V69 PolarHBondContact O-N 3.16Å; V69-Y86 HydrophobicContact CG1-CD1 4.28Å; V69-L87 CarbonylContact C-O 3.59Å; V69-L87 WeakPolarHBondContact CA-O 3.2Å; V69-T88 HydrophobicContact CG2-CG2 4.15Å
70I94.9Very high91.3Very high0 Ų063 Ų630%036%0.359CS..EExtended strand (participates in β ladder)trans-117.9154.5171.363.5176.4000110.6P45 Y53 I54 Y72 Y86 L87 W94P45-I70 HydrophobicContact CB-CD1 3.58Å; P45-I70 HydrophobicContact CG-CD1 3.51Å; P45-I70 HydrophobicContact CG-CG2 4.26Å; Y53-I70 HydrophobicContact CD2-CB 4.46Å; Y53-I70 HydrophobicContact CD2-CG2 4.2Å; I54-I70 CarbonylContact O-C 3.29Å; I54-I70 VanDerWaalsContact O-CA 3.25Å; I54-I70 WeakPolarHBondContact O-CA 3.1Å; I70-Y72 HydrophobicContact CD1-CE2 4.14Å; I70-Y86 CarbonylContact O-C 3.23Å; I70-Y86 VanDerWaalsContact O-CA 3.27Å; I70-Y86 WeakPolarHBondContact O-CA 3.4Å; I70-L87 HydrophobicContact CD1-CB 4.24Å; I70-L87 HydrophobicContact CD1-CD1 4.35Å; I70-L87 HydrophobicContact CG1-CB 3.94Å; I70-L87 HydrophobicContact CG1-CD1 4.4Å; I70-L87 PolarHBondContact N-O 3.27Å; I70-L87 PolarHBondContact O-N 2.86Å; I70-W94 HydrophobicContact CB-CZ3 4.47Å; I70-W94 HydrophobicContact CD1-CD2 4.25Å; I70-W94 HydrophobicContact CD1-CE3 4.01Å; I70-W94 HydrophobicContact CD1-CH2 4.32Å; I70-W94 HydrophobicContact CD1-CZ3 4.03Å; I70-W94 HydrophobicContact CG1-CE3 4.14Å; I70-W94 HydrophobicContact CG1-CH2 4.44Å; I70-W94 HydrophobicContact CG1-CZ3 3.9Å; I70-W94 HydrophobicContact CG2-CH2 3.76Å; I70-W94 HydrophobicContact CG2-CZ3 3.96Å
71E95.1Very high91.3Very high20 Ų2065.3 Ų65.39%0.09336%0.363CS..EExtended strand (participates in β ladder)trans-127.9126.2172.2179.9-178.5174.400109.1Y53 I54 H56 K85 Y86Y53-E71 CarbonylContact C-O 3.52Å; Y53-E71 VanDerWaalsContact CA-O 3.26Å; Y53-E71 WeakPolarHBondContact CA-O 3.44Å; I54-E71 HydrophobicContact CD1-CB 4.25Å; I54-E71 HydrophobicContact CG1-CB 3.83Å; I54-E71 HydrophobicContact CG1-CG 4.5Å; I54-E71 PolarHBondContact N-O 2.98Å; I54-E71 PolarHBondContact O-N 3.41Å; H56-E71 IonicContact CD2-OE2 3.88Å; H56-E71 IonicContact CE1-OE2 3.45Å; H56-E71 PolarHBondContact CE1-OE2 3.45Å; H56-E71 IonicContact NE2-OE2 2.74Å; H56-E71 PolarHBondContact NE2-OE2 3.08Å; E71-K85 CarbonylContact C-O 3.59Å; E71-K85 WeakPolarHBondContact CA-O 3.39Å; E71-K85 HydrophobicContact CG-CD 3.89Å; E71-K85 HydrophobicContact CG-CG 4.15Å; E71-K85 VanDerWaalsContact OE1-CE 3.22Å; E71-K85 WeakPolarHBondContact OE1-CE 3.17Å; E71-K85 IonicContact OE1-NZ 2.66Å; E71-K85 PolarHBondContact OE1-NZ 3.02Å; E71-Y86 HydrophobicContact CB-CD1 3.69Å; E71-Y86 HydrophobicContact CB-CE1 3.56Å; E71-Y86 VanDerWaalsContact CD-CE1 3.5Å; E71-Y86 HydrophobicContact CG-CD1 3.97Å; E71-Y86 HydrophobicContact CG-CE1 3.53Å; E71-Y86 PolarHBondContact OE1-OH 3.43Å; E71-Y86 WeakPolarHBondContact OE2-CE1 3.43Å; E71-Y86 PolarHBondContact OE2-OH 2.67Å
72Y94.9Very high91.2Very high8 Ų858.3 Ų58.33%0.03135%0.351CS..EExtended strand (participates in β ladder)trans-81.5143172.9-75.5-71.1000111.7P45 P46 P48 G52 Y53 I70 K85 L87 I100P45-Y72 WeakPolarHBondContact CB-OH 3.49Å; P46-Y72 WeakPolarHBondContact O-CE1 3.49Å; P46-Y72 PolarHBondContact O-OH 3.5Å; P46-Y72 VanDerWaalsContact O-OH 3.05Å; P48-Y72 HydrophobicContact CG-CD1 3.96Å; P48-Y72 HydrophobicContact CG-CE1 4.31Å; G52-Y72 WeakPolarHBondContact O-CA 3.3Å; G52-Y72 WeakPolarHBondContact O-CD1 3.46Å; Y53-Y72 HydrophobicContact CD1-CE1 4.04Å; Y53-Y72 HydrophobicContact CG-CE1 4.26Å; I70-Y72 HydrophobicContact CD1-CE2 4.14Å; Y72-K85 PolarHBondContact N-O 2.82Å; Y72-L87 HydrophobicContact CD2-CD1 3.7Å; Y72-L87 HydrophobicContact CE2-CD1 3.38Å; Y72-I100 HydrophobicContact CD1-CG2 3.8Å; Y72-I100 HydrophobicContact CD2-CD1 3.73Å; Y72-I100 HydrophobicContact CD2-CG1 3.98Å; Y72-I100 HydrophobicContact CD2-CG2 3.73Å; Y72-I100 HydrophobicContact CE1-CG2 3.92Å; Y72-I100 HydrophobicContact CE2-CB 4.22Å; Y72-I100 HydrophobicContact CE2-CD1 3.65Å; Y72-I100 HydrophobicContact CE2-CG1 3.49Å; Y72-I100 VanDerWaalsContact CE2-CG1 3.49Å; Y72-I100 HydrophobicContact CE2-CG2 3.79Å; Y72-I100 HydrophobicContact CG-CG2 3.73Å
73L93.7Very high91Very high78 Ų7860.9 Ų60.941%0.40837%0.365SS..EExtended strand (participates in β ladder)trans-132.2131.6178.3-62.1171.6000108.2G51 G52 I54G51-L73 CarbonylContact C-O 3.57Å; G51-L73 WeakPolarHBondContact CA-O 3.02Å; G52-L73 PolarHBondContact N-O 2.91Å; G52-L73 PolarHBondContact O-N 3.24Å; I54-L73 HydrophobicContact CD1-CD1 4.03Å; I54-L73 HydrophobicContact CG1-CD1 4.14Å; I54-L73 HydrophobicContact CG2-CD1 3.96Å
74C94.6Very high91.2Very high38 Ų3862.7 Ų62.726%0.25736%0.362SS..EExtended strand (participates in β ladder)trans-94156.1172.2-63.60000110.7Y78 M79 L80 C102C74-Y78 WeakPolarHBondContact CB-O 3.28Å; C74-M79 VanDerWaalsContact SG-C 3.53Å; C74-L80 PolarHBondContact SG-N 2.99Å; C74-L80 VanDerWaalsContact SG-N 3.41Å; C74-C102 WeakPolarHBondContact CA-SG 3.15Å; C74-C102 HydrophobicContact CB-CB 3.76Å; C74-C102 WeakPolarHBondContact CB-SG 3.18Å; C74-C102 WeakPolarHBondContact SG-CB 3.47Å; C74-C102 CovalentContact SG-SG 2.04Å; C74-C102 PolarHBondContact SG-SG 3.48Å
75A94Very high91.3Very high46 Ų4666.2 Ų66.238%0.3838%0.377SS..PPolyproline II helixtrans-65.5165.5174.700000111.7N50 G77 Y78N50-A75 VanDerWaalsContact O-CB 3.26Å; N50-A75 WeakPolarHBondContact O-CB 3.22Å; N50-A75 PolarHBondContact O-N 2.91Å; A75-G77 PolarHBondContact O-N 3.35Å; A75-Y78 HydrophobicContact CB-CD2 4.29Å; A75-Y78 WeakPolarHBondContact O-CB 3.34Å; A75-Y78 PolarHBondContact O-N 2.9Å
76E92.1Very high91.5Very high197 Ų19766.7 Ų66.792%0.92137%0.372SS*.THydrogen-bonded Turntrans-57.2131.1178.9-174.4169.7-164.300111.4Y78E76-Y78 VanDerWaalsContact C-N 3.32Å
77G89.3Confident91.7Very high40 Ų4065.1 Ų65.141%0.41236%0.357SS..THydrogen-bonded Turntrans84.5-4.6-174.400000115A75 N105A75-G77 PolarHBondContact O-N 3.35Å; G77-N105 VanDerWaalsContact O-CB 3.26Å; G77-N105 WeakPolarHBondContact O-CB 3.49Å; G77-N105 PolarHBondContact O-N 3.47Å
78Y92.9Very high92Very high77 Ų7764.1 Ų64.130%0.30234%0.34SS..EExtended strand (participates in β ladder)trans-111.8149.2177.8-67.1-107.4000112.3N50 C74 A75 E76 C102 R103 L104N50-Y78 HydrophobicContact CB-CD1 3.63Å; N50-Y78 HydrophobicContact CB-CD2 4.08Å; N50-Y78 HydrophobicContact CB-CE1 3.56Å; N50-Y78 HydrophobicContact CB-CE2 4.03Å; N50-Y78 HydrophobicContact CB-CG 3.91Å; N50-Y78 VanDerWaalsContact CG-CE1 3.4Å; N50-Y78 VanDerWaalsContact CG-CZ 3.42Å; N50-Y78 PolarHBondContact ND2-OH 2.78Å; N50-Y78 VanDerWaalsContact OD1-CE1 3.25Å; N50-Y78 WeakPolarHBondContact OD1-CE1 3.16Å; C74-Y78 WeakPolarHBondContact CB-O 3.28Å; A75-Y78 HydrophobicContact CB-CD2 4.29Å; A75-Y78 WeakPolarHBondContact O-CB 3.34Å; A75-Y78 PolarHBondContact O-N 2.9Å; E76-Y78 VanDerWaalsContact C-N 3.32Å; Y78-C102 HydrophobicContact CD1-CB 4.35Å; Y78-R103 CarbonylContact C-O 3.59Å; Y78-R103 WeakPolarHBondContact CA-O 3.49Å; Y78-L104 HydrophobicContact CE2-CD1 4.42Å
79M91.3Very high92Very high85 Ų8562.9 Ų62.942%0.41933%0.331SS..EExtended strand (participates in β ladder)trans-124.8150.8174.5-64.6-165.3-58.700111.3C74 C102 R103 N105C74-M79 VanDerWaalsContact SG-C 3.53Å; M79-C102 CarbonylContact O-C 3.52Å; M79-C102 WeakPolarHBondContact O-CA 3.29Å; M79-R103 PolarHBondContact N-O 3.45Å; M79-R103 PolarHBondContact O-N 3.5Å; M79-N105 HydrophobicContact CE-CB 4.15Å; M79-N105 VanDerWaalsContact CE-CG 3.5Å; M79-N105 WeakPolarHBondContact CE-OD1 3.17Å; M79-N105 HydrophobicContact CG-CB 4Å; M79-N105 HydrophobicContact SD-CB 4.37Å; M79-N105 PolarHBondContact SD-ND2 3.24Å
80L91.9Very high91.9Very high35 Ų3566.3 Ų66.318%0.18334%0.342CS..EExtended strand (participates in β ladder)trans-70139.1175.1-175.266.9000109.9C74 G82 Y84 K85 I100C74-L80 PolarHBondContact SG-N 2.99Å; C74-L80 VanDerWaalsContact SG-N 3.41Å; L80-G82 VanDerWaalsContact C-N 3.31Å; L80-G82 PolarHBondContact O-N 3.37Å; L80-Y84 WeakPolarHBondContact CD2-O 3.41Å; L80-K85 HydrophobicContact CD2-CB 3.81Å; L80-I100 HydrophobicContact CD1-CG2 3.8Å
81K88.6Confident91.6Very high101 Ų10173.1 Ų73.144%0.43938%0.379SS..SBendtrans-69.684172.9-173.6-169.2178.9-170.50110.5E99 S101 R103K81-E99 IonicContact NZ-OE1 2.64Å; K81-E99 PolarHBondContact NZ-OE1 2.94Å; K81-E99 IonicContact NZ-OE2 2.61Å; K81-E99 PolarHBondContact NZ-OE2 3.01Å; K81-S101 WeakPolarHBondContact CB-O 3.26Å; K81-S101 WeakPolarHBondContact CB-OG 3.41Å; K81-S101 WeakPolarHBondContact CD-OG 3.36Å; K81-S101 PolarHBondContact N-O 3.06Å; K81-R103 HydrophobicContact CB-CG 4.44Å
82G84.8Confident91.4Very high46 Ų4673.2 Ų73.247%0.47439%0.385SS..SBendtrans116.6164.1177.600000113.6L80 Y84L80-G82 VanDerWaalsContact C-N 3.31Å; L80-G82 PolarHBondContact O-N 3.37Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 2.89Å
83D82.5Confident91.2Very high181 Ų18178.1 Ų78.197%0.96841%0.408SS*.SBendtrans-81.8-8.1-164.3-47.4-54.2000114.7
84Y89.8Confident91.2Very high121 Ų12175.8 Ų75.848%0.47539%0.394SS..  trans-111.3114.2-173.8-157.9-109.6000111.9L80 G82 Y86 P96 M98L80-Y84 WeakPolarHBondContact CD2-O 3.41Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 2.89Å; Y84-Y86 VanDerWaalsContact CD1-O 3.29Å; Y84-Y86 WeakPolarHBondContact CD1-O 3.36Å; Y84-Y86 WeakPolarHBondContact CE1-O 3.22Å; Y84-P96 HydrophobicContact CD1-CG 3.67Å; Y84-P96 HydrophobicContact CE1-CG 3.82Å; Y84-M98 HydrophobicContact CD1-CE 3.75Å; Y84-M98 HydrophobicContact CD1-SD 4.14Å; Y84-M98 WeakPolarHBondContact O-CE 3.17Å
85K92.6Very high91.1Very high81 Ų8177.6 Ų77.635%0.35240%0.398SS..  trans-103.7-4.4-174.962174.9175.4167.20115.6E71 Y72 L80E71-K85 CarbonylContact C-O 3.59Å; E71-K85 WeakPolarHBondContact CA-O 3.39Å; E71-K85 HydrophobicContact CG-CD 3.89Å; E71-K85 HydrophobicContact CG-CG 4.15Å; E71-K85 VanDerWaalsContact OE1-CE 3.22Å; E71-K85 WeakPolarHBondContact OE1-CE 3.17Å; E71-K85 IonicContact OE1-NZ 2.66Å; E71-K85 PolarHBondContact OE1-NZ 3.02Å; Y72-K85 PolarHBondContact N-O 2.82Å; L80-K85 HydrophobicContact CD2-CB 3.81Å
86Y94Very high90.9Very high79 Ų7978 Ų7831%0.3140%0.396SS..EExtended strand (participates in β ladder)trans-102.5146.4-176-63.5-79.4000111.6V69 I70 E71 Y84 M98V69-Y86 HydrophobicContact CG1-CD1 4.28Å; I70-Y86 CarbonylContact O-C 3.23Å; I70-Y86 VanDerWaalsContact O-CA 3.27Å; I70-Y86 WeakPolarHBondContact O-CA 3.4Å; E71-Y86 HydrophobicContact CB-CD1 3.69Å; E71-Y86 HydrophobicContact CB-CE1 3.56Å; E71-Y86 VanDerWaalsContact CD-CE1 3.5Å; E71-Y86 HydrophobicContact CG-CD1 3.97Å; E71-Y86 HydrophobicContact CG-CE1 3.53Å; E71-Y86 PolarHBondContact OE1-OH 3.43Å; E71-Y86 WeakPolarHBondContact OE2-CE1 3.43Å; E71-Y86 PolarHBondContact OE2-OH 2.67Å; Y84-Y86 VanDerWaalsContact CD1-O 3.29Å; Y84-Y86 WeakPolarHBondContact CD1-O 3.36Å; Y84-Y86 WeakPolarHBondContact CE1-O 3.22Å; Y86-M98 WeakPolarHBondContact O-CE 3.12Å
87L93.6Very high90.8Very high10 Ų1072.8 Ų72.85%0.05239%0.387CS..EExtended strand (participates in β ladder)trans-131.9147.1160.7-63.787.5000110.8V69 I70 Y72 W94 K95 P96 M98 I100V69-L87 CarbonylContact C-O 3.59Å; V69-L87 WeakPolarHBondContact CA-O 3.2Å; I70-L87 HydrophobicContact CD1-CB 4.24Å; I70-L87 HydrophobicContact CD1-CD1 4.35Å; I70-L87 HydrophobicContact CG1-CB 3.94Å; I70-L87 HydrophobicContact CG1-CD1 4.4Å; I70-L87 PolarHBondContact N-O 3.27Å; I70-L87 PolarHBondContact O-N 2.86Å; Y72-L87 HydrophobicContact CD2-CD1 3.7Å; Y72-L87 HydrophobicContact CE2-CD1 3.38Å; L87-W94 HydrophobicContact CB-CB 4.33Å; L87-W94 HydrophobicContact CB-CE3 3.9Å; L87-W94 HydrophobicContact CD2-CB 3.68Å; L87-K95 CarbonylContact C-O 3.6Å; L87-K95 WeakPolarHBondContact CA-O 3.42Å; L87-P96 WeakPolarHBondContact CD2-O 3.49Å; L87-M98 HydrophobicContact CD1-CE 3.51Å; L87-M98 HydrophobicContact CD2-CE 4.37Å; L87-M98 HydrophobicContact CG-CE 3.79Å; L87-I100 HydrophobicContact CD1-CD1 4.14Å
88T93.8Very high90.6Very high36 Ų3674.1 Ų74.122%0.22138%0.383CS..EExtended strand (participates in β ladder)trans-111.7131.7174.1-50.90000109.3S68 V69 K90 K95S68-T88 CarbonylContact O-C 3.59Å; S68-T88 WeakPolarHBondContact O-CA 3.28Å; V69-T88 HydrophobicContact CG2-CG2 4.15Å; T88-K90 HydrophobicContact CG2-CG 4.06Å; T88-K90 PolarHBondContact O-N 3.39Å; T88-K95 PolarHBondContact N-O 3.1Å; T88-K95 PolarHBondContact O-N 3.25Å
89C93.1Very high90.4Very high0 Ų076 Ų760%040%0.395CS..EExtended strand (participates in β ladder)trans-69.6117.7169.2179.60000109.5C42 T65 A66 G67 S68 W94C42-C89 HydrophobicContact CB-CB 3.87Å; C42-C89 WeakPolarHBondContact CB-SG 3.31Å; C42-C89 WeakPolarHBondContact SG-CA 3.34Å; C42-C89 WeakPolarHBondContact SG-CB 2.98Å; C42-C89 CovalentContact SG-SG 2.02Å; C42-C89 PolarHBondContact SG-SG 2.92Å; T65-C89 VanDerWaalsContact C-SG 3.56Å; A66-C89 WeakPolarHBondContact CA-O 3.43Å; A66-C89 PolarHBondContact N-SG 2.92Å; G67-C89 PolarHBondContact N-O 3.46Å; S68-C89 PolarHBondContact O-N 2.86Å; C89-W94 HydrophobicContact CB-CE3 4.09Å; C89-W94 HydrophobicContact CB-CH2 3.92Å; C89-W94 HydrophobicContact CB-CZ2 4.46Å; C89-W94 HydrophobicContact CB-CZ3 3.73Å
90K92.4Very high90.3Very high113 Ų11373.5 Ų73.549%0.49138%0.383SS..EExtended strand (participates in β ladder)trans-132.5118.9177.3-65.9-173.9178.7-178.90108.9T88 G92 E93 K95T88-K90 HydrophobicContact CG2-CG 4.06Å; T88-K90 PolarHBondContact O-N 3.39Å; K90-G92 PolarHBondContact O-N 3.43Å; K90-G92 VanDerWaalsContact O-N 3.14Å; K90-E93 PolarHBondContact N-O 3.4Å; K90-E93 PolarHBondContact O-N 2.88Å; K90-E93 VanDerWaalsContact O-O 3.11Å; K90-K95 HydrophobicContact CB-CG 4.22Å; K90-K95 HydrophobicContact CD-CB 4.4Å; K90-K95 HydrophobicContact CD-CG 4.43Å
91N89.6Confident90.3Very high144 Ų14472.7 Ų72.777%0.7738%0.38SS*.THydrogen-bonded Turntrans54.832.3175.7-59.778000114.3
92G89.3Confident90.6Very high21 Ų2168.5 Ų68.522%0.21636%0.363CS..THydrogen-bonded Turntrans88.4-1.1-179.200000114.6V41 P43 K90V41-G92 WeakPolarHBondContact O-CA 3.17Å; P43-G92 VanDerWaalsContact CD-O 3.29Å; P43-G92 WeakPolarHBondContact CD-O 3.31Å; K90-G92 PolarHBondContact O-N 3.43Å; K90-G92 VanDerWaalsContact O-N 3.14Å
93E91.9Very high90.9Very high111 Ų11173 Ų7352%0.51937%0.366SS..EExtended strand (participates in β ladder)trans-116.5143.5177.5-61.3-173.5149.600112C42 K90 K95C42-E93 VanDerWaalsContact SG-C 3.56Å; C42-E93 PolarHBondContact SG-N 3.28Å; C42-E93 VanDerWaalsContact SG-N 3.44Å; K90-E93 PolarHBondContact N-O 3.4Å; K90-E93 PolarHBondContact O-N 2.88Å; K90-E93 VanDerWaalsContact O-O 3.11Å; E93-K95 WeakPolarHBondContact OE2-CE 3.49Å; E93-K95 IonicContact OE2-NZ 2.95Å; E93-K95 PolarHBondContact OE2-NZ 3.34Å
94W92.5Very high91.4Very high29 Ų2969.4 Ų69.411%0.1135%0.346CS..EExtended strand (participates in β ladder)trans-76.9129.3169.3-67.3108.7000110.5C42 P43 P45 L64 I70 L87 C89C42-W94 HydrophobicContact CB-CD2 4.18Å; C42-W94 HydrophobicContact CB-CH2 4.42Å; C42-W94 HydrophobicContact CB-CZ2 3.66Å; P43-W94 PolarHBondContact O-NE1 3.32Å; P45-W94 HydrophobicContact CG-CH2 4.37Å; P45-W94 HydrophobicContact CG-CZ2 3.71Å; L64-W94 HydrophobicContact CB-CH2 4.33Å; L64-W94 HydrophobicContact CB-CZ2 4.2Å; L64-W94 HydrophobicContact CD1-CH2 4.09Å; L64-W94 HydrophobicContact CD1-CZ2 3.75Å; I70-W94 HydrophobicContact CB-CZ3 4.47Å; I70-W94 HydrophobicContact CD1-CD2 4.25Å; I70-W94 HydrophobicContact CD1-CE3 4.01Å; I70-W94 HydrophobicContact CD1-CH2 4.32Å; I70-W94 HydrophobicContact CD1-CZ3 4.03Å; I70-W94 HydrophobicContact CG1-CE3 4.14Å; I70-W94 HydrophobicContact CG1-CH2 4.44Å; I70-W94 HydrophobicContact CG1-CZ3 3.9Å; I70-W94 HydrophobicContact CG2-CH2 3.76Å; I70-W94 HydrophobicContact CG2-CZ3 3.96Å; L87-W94 HydrophobicContact CB-CB 4.33Å; L87-W94 HydrophobicContact CB-CE3 3.9Å; L87-W94 HydrophobicContact CD2-CB 3.68Å; C89-W94 HydrophobicContact CB-CE3 4.09Å; C89-W94 HydrophobicContact CB-CH2 3.92Å; C89-W94 HydrophobicContact CB-CZ2 4.46Å; C89-W94 HydrophobicContact CB-CZ3 3.73Å
95K92.4Very high91Very high77 Ų7765.3 Ų65.334%0.33533%0.332SS..EExtended strand (participates in β ladder)trans-126.1141.1178.4-60.3-62.9178.3-169.60111.3L87 T88 K90 E93L87-K95 CarbonylContact C-O 3.6Å; L87-K95 WeakPolarHBondContact CA-O 3.42Å; T88-K95 PolarHBondContact N-O 3.1Å; T88-K95 PolarHBondContact O-N 3.25Å; K90-K95 HydrophobicContact CB-CG 4.22Å; K90-K95 HydrophobicContact CD-CB 4.4Å; K90-K95 HydrophobicContact CD-CG 4.43Å; E93-K95 WeakPolarHBondContact OE2-CE 3.49Å; E93-K95 IonicContact OE2-NZ 2.95Å; E93-K95 PolarHBondContact OE2-NZ 3.34Å
96P91.4Very high90.1Very high54 Ų5468.8 Ų68.835%0.35135%0.35SS..SBendcis-70.1155.7-331.8-36.3000112.2Y84 L87 M98Y84-P96 HydrophobicContact CD1-CG 3.67Å; Y84-P96 HydrophobicContact CE1-CG 3.82Å; L87-P96 WeakPolarHBondContact CD2-O 3.49Å; P96-M98 HydrophobicContact CG-CE 4.07Å; P96-M98 HydrophobicContact CG-CG 4.37Å; P96-M98 HydrophobicContact CG-SD 3.85Å; P96-M98 PolarHBondContact O-N 3.39Å
97A88.5Confident88.5Confident88 Ų8869.7 Ų69.773%0.72736%0.36SS*.  trans-78.7107.6172.300000108.5
98M86.6Confident86.5Confident68 Ų6876.5 Ų76.534%0.33539%0.389SS..  trans-145.5156-176.960.3-176.4175.100111.1Y84 Y86 L87 P96 I100Y84-M98 HydrophobicContact CD1-CE 3.75Å; Y84-M98 HydrophobicContact CD1-SD 4.14Å; Y84-M98 WeakPolarHBondContact O-CE 3.17Å; Y86-M98 WeakPolarHBondContact O-CE 3.12Å; L87-M98 HydrophobicContact CD1-CE 3.51Å; L87-M98 HydrophobicContact CD2-CE 4.37Å; L87-M98 HydrophobicContact CG-CE 3.79Å; P96-M98 HydrophobicContact CG-CE 4.07Å; P96-M98 HydrophobicContact CG-CG 4.37Å; P96-M98 HydrophobicContact CG-SD 3.85Å; P96-M98 PolarHBondContact O-N 3.39Å; M98-I100 HydrophobicContact CE-CD1 3.81Å; M98-I100 HydrophobicContact CG-CD1 3.84Å; M98-I100 HydrophobicContact SD-CD1 4.36Å
99E87.5Confident84.4Confident116 Ų11681.2 Ų81.254%0.54241%0.413SS..  trans-78.8120.6176.2-174.8-165.415600110K81K81-E99 IonicContact NZ-OE1 2.64Å; K81-E99 PolarHBondContact NZ-OE1 2.94Å; K81-E99 IonicContact NZ-OE2 2.61Å; K81-E99 PolarHBondContact NZ-OE2 3.01Å
100I90.6Very high82.4Confident32 Ų3285.1 Ų85.116%0.16444%0.437CS..  trans-96.8116.8177.1-50.8-59.9000108P48 Y72 L80 L87 M98P48-I100 HydrophobicContact CB-CG2 4.04Å; P48-I100 HydrophobicContact CG-CG2 4.02Å; Y72-I100 HydrophobicContact CD1-CG2 3.8Å; Y72-I100 HydrophobicContact CD2-CD1 3.73Å; Y72-I100 HydrophobicContact CD2-CG1 3.98Å; Y72-I100 HydrophobicContact CD2-CG2 3.73Å; Y72-I100 HydrophobicContact CE1-CG2 3.92Å; Y72-I100 HydrophobicContact CE2-CB 4.22Å; Y72-I100 HydrophobicContact CE2-CD1 3.65Å; Y72-I100 HydrophobicContact CE2-CG1 3.49Å; Y72-I100 VanDerWaalsContact CE2-CG1 3.49Å; Y72-I100 HydrophobicContact CE2-CG2 3.79Å; Y72-I100 HydrophobicContact CG-CG2 3.73Å; L80-I100 HydrophobicContact CD1-CG2 3.8Å; L87-I100 HydrophobicContact CD1-CD1 4.14Å; M98-I100 HydrophobicContact CE-CD1 3.81Å; M98-I100 HydrophobicContact CG-CD1 3.84Å; M98-I100 HydrophobicContact SD-CD1 4.36Å
101S92Very high80.2Confident18 Ų1885.2 Ų85.213%0.12644%0.439CS..  trans-149.1140168.761.10000110.7K81 R103K81-S101 WeakPolarHBondContact CB-O 3.26Å; K81-S101 WeakPolarHBondContact CB-OG 3.41Å; K81-S101 WeakPolarHBondContact CD-OG 3.36Å; K81-S101 PolarHBondContact N-O 3.06Å; S101-R103 PolarHBondContact OG-NE 3.26Å
102C94Very high78.2Confident13 Ų1384 Ų849%0.08844%0.437CS..EExtended strand (participates in β ladder)trans-90.6133.4170.6-65.30000109.1E49 N50 C74 Y78 M79E49-C102 WeakPolarHBondContact O-CB 3.23Å; N50-C102 HydrophobicContact CB-CB 4.47Å; C74-C102 WeakPolarHBondContact CA-SG 3.15Å; C74-C102 HydrophobicContact CB-CB 3.76Å; C74-C102 WeakPolarHBondContact CB-SG 3.18Å; C74-C102 WeakPolarHBondContact SG-CB 3.47Å; C74-C102 CovalentContact SG-SG 2.04Å; C74-C102 PolarHBondContact SG-SG 3.48Å; Y78-C102 HydrophobicContact CD1-CB 4.35Å; M79-C102 CarbonylContact O-C 3.52Å; M79-C102 WeakPolarHBondContact O-CA 3.29Å
103R91.9Very high76.4Confident140 Ų14086 Ų8653%0.52845%0.448SS..EExtended strand (participates in β ladder)trans-121.8148.1-180-61-68.2171.7165.2-5.6108.9Y78 M79 K81 S101 N105Y78-R103 CarbonylContact C-O 3.59Å; Y78-R103 WeakPolarHBondContact CA-O 3.49Å; M79-R103 PolarHBondContact N-O 3.45Å; M79-R103 PolarHBondContact O-N 3.5Å; K81-R103 HydrophobicContact CB-CG 4.44Å; S101-R103 PolarHBondContact OG-NE 3.26Å; R103-N105 PolarHBondContact O-N 3.27Å
104L91.3Very high74.5Confident107 Ų10787.4 Ų87.456%0.5646%0.458SS*.EExtended strand (participates in β ladder)trans-58.9138.3174.3-171.872000109.5Y78 E106Y78-L104 HydrophobicContact CE2-CD1 4.42Å; L104-E106 PolarHBondContact O-N 2.91Å
105N83.1Confident72.6Confident34 Ų3487.8 Ų87.818%0.18247%0.471CS..  trans-79.797.7176.8-172.3-11.3000110.2G77 M79 R103 D107G77-N105 VanDerWaalsContact O-CB 3.26Å; G77-N105 WeakPolarHBondContact O-CB 3.49Å; G77-N105 PolarHBondContact O-N 3.47Å; M79-N105 HydrophobicContact CE-CB 4.15Å; M79-N105 VanDerWaalsContact CE-CG 3.5Å; M79-N105 WeakPolarHBondContact CE-OD1 3.17Å; M79-N105 HydrophobicContact CG-CB 4Å; M79-N105 HydrophobicContact SD-CB 4.37Å; M79-N105 PolarHBondContact SD-ND2 3.24Å; R103-N105 PolarHBondContact O-N 3.27Å; N105-D107 PolarHBondContact O-N 2.9Å; N105-D107 VanDerWaalsContact OD1-CB 3.23Å; N105-D107 WeakPolarHBondContact OD1-CB 3.26Å; N105-D107 PolarHBondContact OD1-N 3.01Å; N105-D107 PolarHBondContact OD1-OD2 3.23Å
106E72.8Confident71.2Confident155 Ų15586.6 Ų86.672%0.72447%0.47SS*.G310 helixtrans-71.4-10.1178-61-174.1124.600113L104 K108L104-E106 PolarHBondContact O-N 2.91Å; E106-K108 PolarHBondContact O-N 3.41Å
107D59.8Low69.7Low98 Ų9888.3 Ų88.352%0.52448%0.481SS..G310 helixtrans-75.613.2-179.3-56.8-45.1000114.3N105 H111N105-D107 PolarHBondContact O-N 2.9Å; N105-D107 VanDerWaalsContact OD1-CB 3.23Å; N105-D107 WeakPolarHBondContact OD1-CB 3.26Å; N105-D107 PolarHBondContact OD1-N 3.01Å; N105-D107 PolarHBondContact OD1-OD2 3.23Å; D107-H111 PolarHBondContact O-CD2 3.04Å
108K53.1Low68.5Low153 Ų15388.8 Ų88.867%0.66548%0.475SS*.G310 helixtrans-109.9-22.6174.4-72.4-162.7172-174.70115.1E106E106-K108 PolarHBondContact O-N 3.41Å
109D48Very low67.3Low134 Ų13491.2 Ų91.272%0.71749%0.489SS*.THydrogen-bonded Turntrans-83.6-21.4175.1-67.9-49.6000112.5
110T51.2Low66.5Low83 Ų8388.4 Ų88.451%0.50948%0.482SS..THydrogen-bonded Turntrans-79.6-26.5171.851.80000113.3S113T110-S113 WeakPolarHBondContact O-CA 3.15Å; T110-S113 WeakPolarHBondContact O-CB 3.35Å; T110-S113 PolarHBondContact O-N 3.13Å
111H47.7Very low65.8Low114 Ų11492 Ų9253%0.52850%0.5SS..G310 helixtrans-83.8-12.3-178.7-79.8-95.3000114.6D107 S113 L114D107-H111 PolarHBondContact O-CD2 3.04Å; H111-S113 PolarHBondContact O-N 3.06Å; H111-L114 VanDerWaalsContact ND1-CD1 3.28Å; H111-L114 WeakPolarHBondContact ND1-CD1 3.22Å; H111-L114 PolarHBondContact O-N 3.44Å
112T47.3Very low65.2Low120 Ų12095.3 Ų95.374%0.73652%0.52SS*.G310 helixtrans-68.8-6.1159.4-48.90000111.6
113S50Low64.6Low62 Ų6297.6 Ų97.643%0.43454%0.54SS..G310 helixtrans-89.71.8172.3-1480000114.5T110 H111 G115 V116T110-S113 WeakPolarHBondContact O-CA 3.15Å; T110-S113 WeakPolarHBondContact O-CB 3.35Å; T110-S113 PolarHBondContact O-N 3.13Å; H111-S113 PolarHBondContact O-N 3.06Å; S113-G115 PolarHBondContact O-N 3.35Å; S113-V116 WeakPolarHBondContact O-CB 3.32Å; S113-V116 PolarHBondContact O-N 2.95Å; S113-V116 VanDerWaalsContact O-N 3.1Å; S113-V116 WeakPolarHBondContact OG-CB 3.49Å
114L53.3Low64.4Low140 Ų14094.8 Ų94.873%0.73354%0.541SS*.THydrogen-bonded Turntrans-77.821.7178.5-67.7-172.9000115.3H111H111-L114 VanDerWaalsContact ND1-CD1 3.28Å; H111-L114 WeakPolarHBondContact ND1-CD1 3.22Å; H111-L114 PolarHBondContact O-N 3.44Å
115G51.6Low64.3Low37 Ų3793.4 Ų93.438%0.38154%0.538SS..THydrogen-bonded Turntrans-129.88.8164.100000113.5S113S113-G115 PolarHBondContact O-N 3.35Å
116V63.4Low64.7Low53 Ų5394.5 Ų94.532%0.32155%0.552SS.*Hα-helixtrans-91.5-18.5-1611770000117.2S113 T118 S120S113-V116 WeakPolarHBondContact O-CB 3.32Å; S113-V116 PolarHBondContact O-N 2.95Å; S113-V116 VanDerWaalsContact O-N 3.1Å; S113-V116 WeakPolarHBondContact OG-CB 3.49Å; V116-T118 PolarHBondContact O-N 3.33Å; V116-S120 WeakPolarHBondContact O-CB 3.25Å; V116-S120 PolarHBondContact O-N 2.8Å; V116-S120 PolarHBondContact O-OG 3.44Å
117P60.2Low65.7Low90 Ų9090.2 Ų90.258%0.58454%0.539SS*.Hα-helixtrans-63.1-45.4179.323.6-31.1000111.8S120 I121P117-S120 PolarHBondContact O-OG 3.46Å; P117-I121 WeakPolarHBondContact O-CB 3.02Å; P117-I121 VanDerWaalsContact O-CD1 3.22Å; P117-I121 WeakPolarHBondContact O-CD1 3.26Å; P117-I121 WeakPolarHBondContact O-CG1 3.03Å; P117-I121 PolarHBondContact O-N 3.31Å
118T62.6Low67.4Low98 Ų9888.6 Ų88.660%0.60154%0.535SS*.Hα-helixtrans-72.7-44177.846.70000112.6V116 I121 V122V116-T118 PolarHBondContact O-N 3.33Å; T118-I121 PolarHBondContact O-N 3.23Å; T118-V122 WeakPolarHBondContact O-CB 3.47Å; T118-V122 VanDerWaalsContact O-CG2 3.3Å; T118-V122 WeakPolarHBondContact O-CG2 3.46Å; T118-V122 PolarHBondContact O-N 2.99Å
119L62.3Low69.5Low118 Ų11885.2 Ų85.262%0.61853%0.527SS*.Hα-helixtrans-67.5-36.4-179.5-68.7178.1000113.1A123L119-A123 VanDerWaalsContact O-CB 3.22Å; L119-A123 WeakPolarHBondContact O-CB 3.04Å; L119-A123 PolarHBondContact O-N 3.33Å
120S70.8Confident71.8Confident57 Ų5781.5 Ų81.540%0.39952%0.515SS..Hα-helixtrans-69.2-38.7174.763.10000112.4V116 P117 S124V116-S120 WeakPolarHBondContact O-CB 3.25Å; V116-S120 PolarHBondContact O-N 2.8Å; V116-S120 PolarHBondContact O-OG 3.44Å; P117-S120 PolarHBondContact O-OG 3.46Å; S120-S124 WeakPolarHBondContact O-CB 3.04Å; S120-S124 PolarHBondContact O-N 2.83Å
121I75.3Confident73.9Confident107 Ų10782.3 Ų82.355%0.54952%0.516SS..Hα-helixtrans-64.8-44.2174-68.7167.4000110.8P117 T118 S124 T125P117-I121 WeakPolarHBondContact O-CB 3.02Å; P117-I121 VanDerWaalsContact O-CD1 3.22Å; P117-I121 WeakPolarHBondContact O-CD1 3.26Å; P117-I121 WeakPolarHBondContact O-CG1 3.03Å; P117-I121 PolarHBondContact O-N 3.31Å; T118-I121 PolarHBondContact O-N 3.23Å; I121-S124 PolarHBondContact O-N 2.8Å; I121-T125 WeakPolarHBondContact O-CB 3.25Å; I121-T125 WeakPolarHBondContact O-CG2 3.5Å; I121-T125 PolarHBondContact O-N 3.29Å; I121-T125 PolarHBondContact O-OG1 2.82Å
122V79.4Confident76.2Confident88 Ų8881.5 Ų81.553%0.53351%0.514SS..Hα-helixtrans-66.6-42.5177.4172.10000111.3T118 T125 A126T118-V122 WeakPolarHBondContact O-CB 3.47Å; T118-V122 VanDerWaalsContact O-CG2 3.3Å; T118-V122 WeakPolarHBondContact O-CG2 3.46Å; T118-V122 PolarHBondContact O-N 2.99Å; V122-T125 WeakPolarHBondContact CA-OG1 3.48Å; V122-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 VanDerWaalsContact O-OG1 3.12Å; V122-A126 WeakPolarHBondContact O-CB 3.4Å; V122-A126 PolarHBondContact O-N 2.66Å
123A82.5Confident78.5Confident61 Ų6180.9 Ų80.950%0.50451%0.506SS..Hα-helixtrans-64.1-41.1175.500000112.2L119 S127L119-A123 VanDerWaalsContact O-CB 3.22Å; L119-A123 WeakPolarHBondContact O-CB 3.04Å; L119-A123 PolarHBondContact O-N 3.33Å; A123-S127 WeakPolarHBondContact O-CB 3.41Å; A123-S127 PolarHBondContact O-N 3.48Å
124S85.9Confident80.6Confident81 Ų8183.1 Ų83.157%0.56651%0.512SS*.Hα-helixtrans-65.8-45.7177.6-176.30000112.1S120 I121 S127 S128S120-S124 WeakPolarHBondContact O-CB 3.04Å; S120-S124 PolarHBondContact O-N 2.83Å; I121-S124 PolarHBondContact O-N 2.8Å; S124-S127 PolarHBondContact O-N 3.45Å; S124-S128 WeakPolarHBondContact O-CB 2.99Å; S124-S128 PolarHBondContact O-N 3.42Å
125T90.8Very high82.6Confident78 Ų7880.6 Ų80.648%0.47950%0.499SS..Hα-helixtrans-67.9-42.7177.449.30000112.3I121 V122 S127 S128 V129I121-T125 WeakPolarHBondContact O-CB 3.25Å; I121-T125 WeakPolarHBondContact O-CG2 3.5Å; I121-T125 PolarHBondContact O-N 3.29Å; I121-T125 PolarHBondContact O-OG1 2.82Å; V122-T125 WeakPolarHBondContact CA-OG1 3.48Å; V122-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 VanDerWaalsContact O-OG1 3.12Å; T125-S127 PolarHBondContact O-N 3.36Å; T125-S128 PolarHBondContact O-N 2.03Å; T125-V129 WeakPolarHBondContact O-CG2 3.27Å; T125-V129 PolarHBondContact O-N 3.41Å
126A91.2Very high84.7Confident58 Ų5882.8 Ų82.848%0.47951%0.505SS..Hα-helixtrans-62-42.4174.400000112.1V122 A130V122-A126 WeakPolarHBondContact O-CB 3.4Å; V122-A126 PolarHBondContact O-N 2.66Å; A126-A130 VanDerWaalsContact O-CB 3.31Å; A126-A130 WeakPolarHBondContact O-CB 3.4Å; A126-A130 PolarHBondContact O-N 2.74Å
127S93.9Very high86.1Confident65 Ų6584.3 Ų84.346%0.45551%0.514SS..Hα-helixtrans-62.3-46.4175.1-1770000111.8A123 S124 T125 V129 A130 L131A123-S127 WeakPolarHBondContact O-CB 3.41Å; A123-S127 PolarHBondContact O-N 3.48Å; S124-S127 PolarHBondContact O-N 3.45Å; T125-S127 PolarHBondContact O-N 3.36Å; S127-V129 PolarHBondContact O-N 3.43Å; S127-A130 PolarHBondContact O-N 2.04Å; S127-L131 WeakPolarHBondContact O-CB 3.44Å; S127-L131 WeakPolarHBondContact O-CG 3.34Å; S127-L131 PolarHBondContact O-N 2.89Å
128S95.2Very high87.6Confident63 Ų6384 Ų8444%0.44151%0.507SS..Hα-helixtrans-58-48.6176.9-1770000112.2S124 T125 A130 L131 I132S124-S128 WeakPolarHBondContact O-CB 2.99Å; S124-S128 PolarHBondContact O-N 3.42Å; T125-S128 PolarHBondContact O-N 2.03Å; S128-A130 PolarHBondContact O-N 2.83Å; S128-L131 PolarHBondContact O-N 2.9Å; S128-I132 WeakPolarHBondContact O-CD1 3.29Å; S128-I132 VanDerWaalsContact O-CG1 3.28Å; S128-I132 WeakPolarHBondContact O-CG1 3.43Å; S128-I132 PolarHBondContact O-N 2.87Å
129V96.7Very high88.9Confident83 Ų8384.8 Ų84.850%0.50350%0.502SS..Hα-helixtrans-63.3-43.7177.1174.40000111.3T125 S127 L131 I132 L133T125-V129 WeakPolarHBondContact O-CG2 3.27Å; T125-V129 PolarHBondContact O-N 3.41Å; S127-V129 PolarHBondContact O-N 3.43Å; V129-L131 PolarHBondContact O-N 2.89Å; V129-I132 PolarHBondContact O-N 3.13Å; V129-L133 HydrophobicContact CG1-CD1 3.91Å; V129-L133 HydrophobicContact CG1-CG 4.3Å; V129-L133 WeakPolarHBondContact O-CB 3.32Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.4Å; V129-L133 PolarHBondContact O-N 3.28Å
130A95.6Very high90.2Very high55 Ų5583.6 Ų83.646%0.45550%0.5SS..Hα-helixtrans-61.4-41.9177.900000112.4A126 S127 S128 L133 L134A126-A130 VanDerWaalsContact O-CB 3.31Å; A126-A130 WeakPolarHBondContact O-CB 3.4Å; A126-A130 PolarHBondContact O-N 2.74Å; S127-A130 PolarHBondContact O-N 2.04Å; S128-A130 PolarHBondContact O-N 2.83Å; A130-L133 PolarHBondContact O-N 2.87Å; A130-L134 VanDerWaalsContact O-CB 3.29Å; A130-L134 WeakPolarHBondContact O-CB 3.19Å; A130-L134 PolarHBondContact O-N 3.49Å
131L95.7Very high90.8Very high101 Ų10186.6 Ų86.653%0.52951%0.51SS..Hα-helixtrans-65.3-42.8175.6-71.8173000112S127 S128 V129 L134 L135S127-L131 WeakPolarHBondContact O-CB 3.44Å; S127-L131 WeakPolarHBondContact O-CG 3.34Å; S127-L131 PolarHBondContact O-N 2.89Å; S128-L131 PolarHBondContact O-N 2.9Å; V129-L131 PolarHBondContact O-N 2.89Å; L131-L134 PolarHBondContact O-N 2.89Å; L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.36Å
132I96.3Very high91.1Very high97 Ų9784.6 Ų84.650%0.49750%0.5SS..Hα-helixtrans-61.6-46.3176.1-68.2163.4000110.5S128 V129 L135 V136S128-I132 WeakPolarHBondContact O-CD1 3.29Å; S128-I132 VanDerWaalsContact O-CG1 3.28Å; S128-I132 WeakPolarHBondContact O-CG1 3.43Å; S128-I132 PolarHBondContact O-N 2.87Å; V129-I132 PolarHBondContact O-N 3.13Å; I132-L135 PolarHBondContact O-N 3.49Å; I132-V136 WeakPolarHBondContact O-CG2 3.21Å; I132-V136 PolarHBondContact O-N 3.34Å
133L95.5Very high90.6Very high106 Ų10684.7 Ų84.756%0.55550%0.495SS*.Hα-helixtrans-63.6-42.5177.8-69.3174.6000111.9V129 A130 V136 V137V129-L133 HydrophobicContact CG1-CD1 3.91Å; V129-L133 HydrophobicContact CG1-CG 4.3Å; V129-L133 WeakPolarHBondContact O-CB 3.32Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.4Å; V129-L133 PolarHBondContact O-N 3.28Å; A130-L133 PolarHBondContact O-N 2.87Å; L133-V136 PolarHBondContact O-N 2.86Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.48Å
134L95.3Very high89.6Confident110 Ų11086.1 Ų86.158%0.57650%0.499SS*.Hα-helixtrans-62.3-43.7176.2-172.5154.8000111.2A130 L131 V137 L138A130-L134 VanDerWaalsContact O-CB 3.29Å; A130-L134 WeakPolarHBondContact O-CB 3.19Å; A130-L134 PolarHBondContact O-N 3.49Å; L131-L134 PolarHBondContact O-N 2.89Å; L134-V137 PolarHBondContact O-N 3.38Å; L134-L138 WeakPolarHBondContact O-CB 3.21Å; L134-L138 PolarHBondContact O-N 2.98Å
135L94.1Very high88.3Confident87 Ų8789.2 Ų89.246%0.45550%0.502SS..Hα-helixtrans-61.9-45.6174.4-73.5173.3000111.5L131 I132 L138 F139L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.36Å; I132-L135 PolarHBondContact O-N 3.49Å; L135-L138 PolarHBondContact O-N 2.99Å; L135-F139 HydrophobicContact CB-CD2 4.4Å; L135-F139 HydrophobicContact CB-CE2 4.45Å; L135-F139 WeakPolarHBondContact O-CB 3.33Å; L135-F139 WeakPolarHBondContact O-CD2 3.37Å; L135-F139 PolarHBondContact O-N 2.85Å
136V95.1Very high86.8Confident82 Ų8289.3 Ų89.350%0.49750%0.5SS..Hα-helixtrans-60.8-46.6177.5169.70000111.2I132 L133 F139 V140I132-V136 WeakPolarHBondContact O-CG2 3.21Å; I132-V136 PolarHBondContact O-N 3.34Å; L133-V136 PolarHBondContact O-N 2.86Å; V136-F139 PolarHBondContact O-N 3.05Å; V136-V140 HydrophobicContact CG1-CG2 4.44Å; V136-V140 WeakPolarHBondContact O-CB 3.02Å; V136-V140 VanDerWaalsContact O-CG2 3.29Å; V136-V140 WeakPolarHBondContact O-CG2 3.45Å; V136-V140 PolarHBondContact O-N 2.82Å
137V94.1Very high85.3Confident86 Ų8693.8 Ų93.852%0.52151%0.508SS..Hα-helixtrans-61.9-46.1176.3171.10000110.9L133 L134 F139 V140 L141L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.48Å; L134-V137 PolarHBondContact O-N 3.38Å; V137-F139 PolarHBondContact O-N 2.68Å; V137-V140 PolarHBondContact O-N 3.34Å; V137-L141 HydrophobicContact CG1-CD1 3.83Å; V137-L141 HydrophobicContact CG1-CG 4.35Å; V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 VanDerWaalsContact O-CG 3.29Å; V137-L141 WeakPolarHBondContact O-CG 2.97Å; V137-L141 PolarHBondContact O-N 2.95Å
138L92.3Very high83.6Confident82 Ų8294.5 Ų94.543%0.42951%0.513SS..Hα-helixtrans-60.2-45176.7-179.762000111.4L134 L135 L141 L142L134-L138 WeakPolarHBondContact O-CB 3.21Å; L134-L138 PolarHBondContact O-N 2.98Å; L135-L138 PolarHBondContact O-N 2.99Å; L138-L141 PolarHBondContact O-N 2.95Å; L138-L142 HydrophobicContact CD1-CD1 3.83Å; L138-L142 HydrophobicContact CD1-CG 4.05Å; L138-L142 HydrophobicContact CG-CD1 3.8Å; L138-L142 HydrophobicContact CG-CG 4.37Å; L138-L142 VanDerWaalsContact O-CB 3.24Å; L138-L142 WeakPolarHBondContact O-CB 3.41Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 3.3Å
139F88.6Confident81.7Confident116 Ų11698.1 Ų98.151%0.50952%0.521SS..Hα-helixtrans-62.5-43.3175.2-83.2-62.6000111.8L135 V136 V137 L141 L142 Q143L135-F139 HydrophobicContact CB-CD2 4.4Å; L135-F139 HydrophobicContact CB-CE2 4.45Å; L135-F139 WeakPolarHBondContact O-CB 3.33Å; L135-F139 WeakPolarHBondContact O-CD2 3.37Å; L135-F139 PolarHBondContact O-N 2.85Å; V136-F139 PolarHBondContact O-N 3.05Å; V137-F139 PolarHBondContact O-N 2.68Å; F139-L141 VanDerWaalsContact C-N 3.35Å; F139-L141 PolarHBondContact O-N 2.87Å; F139-L142 CarbonylContact O-C 3.56Å; F139-L142 PolarHBondContact O-N 2.64Å; F139-Q143 WeakPolarHBondContact O-CG 3.29Å; F139-Q143 PolarHBondContact O-N 3Å; F139-Q143 PolarHBondContact O-NE2 3.44Å
140V89.7Confident79.7Confident93 Ų93100.4 Ų100.456%0.56453%0.526SS*.Hα-helixtrans-65.7-35.3178169.60000112V136 V137 P144V136-V140 HydrophobicContact CG1-CG2 4.44Å; V136-V140 WeakPolarHBondContact O-CB 3.02Å; V136-V140 VanDerWaalsContact O-CG2 3.29Å; V136-V140 WeakPolarHBondContact O-CG2 3.45Å; V136-V140 PolarHBondContact O-N 2.82Å; V137-V140 PolarHBondContact O-N 3.34Å; V140-P144 WeakPolarHBondContact O-CD 3.39Å
141L84.1Confident77.5Confident119 Ų119104.2 Ų104.262%0.62353%0.534SS*.Hα-helixtrans-76.7-29.2174.3-66.1174.4000112.9V137 L138 F139V137-L141 HydrophobicContact CG1-CD1 3.83Å; V137-L141 HydrophobicContact CG1-CG 4.35Å; V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 VanDerWaalsContact O-CG 3.29Å; V137-L141 WeakPolarHBondContact O-CG 2.97Å; V137-L141 PolarHBondContact O-N 2.95Å; L138-L141 PolarHBondContact O-N 2.95Å; F139-L141 VanDerWaalsContact C-N 3.35Å; F139-L141 PolarHBondContact O-N 2.87Å
142L80.8Confident75.4Confident65 Ų65103.2 Ų103.234%0.3454%0.536SS..Hα-helixtrans-82.3-24.4173.6-71.5175.5000113.1L138 F139 K145 L146L138-L142 HydrophobicContact CD1-CD1 3.83Å; L138-L142 HydrophobicContact CD1-CG 4.05Å; L138-L142 HydrophobicContact CG-CD1 3.8Å; L138-L142 HydrophobicContact CG-CG 4.37Å; L138-L142 VanDerWaalsContact O-CB 3.24Å; L138-L142 WeakPolarHBondContact O-CB 3.41Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 3.3Å; F139-L142 CarbonylContact O-C 3.56Å; F139-L142 PolarHBondContact O-N 2.64Å; L142-K145 CarbonylContact O-C 3.45Å; L142-K145 WeakPolarHBondContact O-CA 3.23Å; L142-K145 PolarHBondContact O-N 2.79Å; L142-L146 HydrophobicContact CB-CD1 4.06Å; L142-L146 HydrophobicContact CB-CG 4.39Å; L142-L146 WeakPolarHBondContact O-CB 3.32Å; L142-L146 PolarHBondContact O-N 2.84Å
143Q68.9Low73.1Confident91 Ų91109.1 Ų109.143%0.42555%0.552SS.*Hα-helixtrans-54.6-48176.8-76.8-38.9-61.100111.7F139 K145 L146 K147F139-Q143 WeakPolarHBondContact O-CG 3.29Å; F139-Q143 PolarHBondContact O-N 3Å; F139-Q143 PolarHBondContact O-NE2 3.44Å; Q143-K145 PolarHBondContact O-N 3.49Å; Q143-L146 PolarHBondContact O-N 3.44Å; Q143-K147 WeakPolarHBondContact O-CB 3.15Å; Q143-K147 PolarHBondContact O-N 2.73Å
144P61.9Low70.9Confident90 Ų90114 Ų11458%0.58456%0.563SS**Hα-helixtrans-52.6-39.2172.2-28.533.1000114.1V140 S148V140-P144 WeakPolarHBondContact O-CD 3.39Å; P144-S148 WeakPolarHBondContact O-CB 3.06Å; P144-S148 PolarHBondContact O-N 2.87Å
145K59.2Low68.4Low146 Ų146114.4 Ų114.464%0.63557%0.566SS**Hα-helixtrans-78.7-49-177.2-64.1-74.3-177.11670111.8L142 Q143 S148 F149L142-K145 CarbonylContact O-C 3.45Å; L142-K145 WeakPolarHBondContact O-CA 3.23Å; L142-K145 PolarHBondContact O-N 2.79Å; Q143-K145 PolarHBondContact O-N 3.49Å; K145-S148 WeakPolarHBondContact O-CB 3.35Å; K145-S148 PolarHBondContact O-N 2.02Å; K145-F149 WeakPolarHBondContact O-CD2 3.43Å; K145-F149 PolarHBondContact O-N 2.99Å
146L59.2Low66.2Low81 Ų81118.7 Ų118.742%0.42458%0.584SS.*Hα-helixtrans-75.3-31.2-177.1-63.7176.4000112.7L142 Q143 F149 H150L142-L146 HydrophobicContact CB-CD1 4.06Å; L142-L146 HydrophobicContact CB-CG 4.39Å; L142-L146 WeakPolarHBondContact O-CB 3.32Å; L142-L146 PolarHBondContact O-N 2.84Å; Q143-L146 PolarHBondContact O-N 3.44Å; L146-F149 PolarHBondContact O-N 3.35Å; L146-H150 PolarHBondContact O-N 3.36Å
147K60.3Low64Low152 Ų152117.7 Ų117.766%0.66159%0.589SS**Hα-helixtrans-73.5-29.6174.1-157.2160.7-173.5170.40111.9Q143 H150 H151Q143-K147 WeakPolarHBondContact O-CB 3.15Å; Q143-K147 PolarHBondContact O-N 2.73Å; K147-H150 PolarHBondContact O-N 3.18Å; K147-H151 PolarHBondContact O-N 3.13Å; K147-H151 VanDerWaalsContact O-N 3.16Å
148S56.6Low61.7Low79 Ų79119.6 Ų119.655%0.55260%0.601SS**Hα-helixtrans-62.1-44.6166.1174.30000111.7P144 K145 H150 H151 S152P144-S148 WeakPolarHBondContact O-CB 3.06Å; P144-S148 PolarHBondContact O-N 2.87Å; K145-S148 WeakPolarHBondContact O-CB 3.35Å; K145-S148 PolarHBondContact O-N 2.02Å; S148-H150 VanDerWaalsContact C-N 3.35Å; S148-H150 PolarHBondContact O-N 3.14Å; S148-H151 PolarHBondContact O-N 2.97Å; S148-S152 PolarHBondContact O-N 2.61Å; S148-S152 VanDerWaalsContact O-N 3.08Å
149F56.3Low59.7Low139 Ų139121.4 Ų121.461%0.6162%0.621SS**Hα-helixtrans-64.5-34.7172.9-75.2-67.6000113.4K145 L146 S152 R153K145-F149 WeakPolarHBondContact O-CD2 3.43Å; K145-F149 PolarHBondContact O-N 2.99Å; L146-F149 PolarHBondContact O-N 3.35Å; F149-S152 PolarHBondContact O-N 2.86Å; F149-R153 WeakPolarHBondContact O-CB 3.34Å; F149-R153 PolarHBondContact O-N 2.83Å
150H54.7Low58.1Low132 Ų132119.4 Ų119.461%0.61163%0.632SS**Hα-helixtrans-69.1-29.8177.3-100.8-77.3000114.2L146 K147 S148L146-H150 PolarHBondContact O-N 3.36Å; K147-H150 PolarHBondContact O-N 3.18Å; S148-H150 VanDerWaalsContact C-N 3.35Å; S148-H150 PolarHBondContact O-N 3.14Å
151H49.6Very low56Low134 Ų134122.1 Ų122.162%0.6264%0.644SS**Hα-helixtrans-71.8-48.4169.1-152-16.1000110K147 S148 R153 R154 D155K147-H151 PolarHBondContact O-N 3.13Å; K147-H151 VanDerWaalsContact O-N 3.16Å; S148-H151 PolarHBondContact O-N 2.97Å; H151-R153 PolarHBondContact O-N 2.84Å; H151-R154 PolarHBondContact O-N 3.21Å; H151-D155 IonicContact CE1-OD2 3.27Å; H151-D155 PolarHBondContact CE1-OD2 3.3Å; H151-D155 VanDerWaalsContact CE1-OD2 3.27Å; H151-D155 IonicContact ND1-OD2 2.82Å; H151-D155 PolarHBondContact ND1-OD2 3Å; H151-D155 PolarHBondContact O-N 3.34Å
152S50.1Low53.9Low81 Ų81122.6 Ų122.657%0.56664%0.643SS**Hα-helixtrans-57.7-24.8177.7-176.60000114.4S148 F149S148-S152 PolarHBondContact O-N 2.61Å; S148-S152 VanDerWaalsContact O-N 3.08Å; F149-S152 PolarHBondContact O-N 2.86Å
153R49.2Very low52.7Low221 Ų221125.6 Ų125.683%0.83466%0.663SS**THydrogen-bonded Turntrans-95.90.5179-146-173.2-161.5-101.95.8114.3F149 H151F149-R153 WeakPolarHBondContact O-CB 3.34Å; F149-R153 PolarHBondContact O-N 2.83Å; H151-R153 PolarHBondContact O-N 2.84Å
154R48.3Very low51.8Low208 Ų208123.6 Ų123.679%0.78566%0.659SS**THydrogen-bonded Turntrans-107.5-20.7177.7-137.6177.9-172.6103.30.7113.8H151H151-R154 PolarHBondContact O-N 3.21Å
155D43.8Very low51.6Low118 Ų118123.9 Ų123.963%0.63166%0.655SS**SBendtrans-92.7-4.4178.2-67.7-73.3000114.6H151 G157H151-D155 IonicContact CE1-OD2 3.27Å; H151-D155 PolarHBondContact CE1-OD2 3.3Å; H151-D155 VanDerWaalsContact CE1-OD2 3.27Å; H151-D155 IonicContact ND1-OD2 2.82Å; H151-D155 PolarHBondContact ND1-OD2 3Å; H151-D155 PolarHBondContact O-N 3.34Å; D155-G157 VanDerWaalsContact C-N 3.34Å; D155-G157 PolarHBondContact O-N 2.82Å
156Q48.5Very low51.5Low178 Ų178123 Ų12383%0.83266%0.655SS**SBendtrans-95.136.9178.8-154.487.476.900113
157G47.9Very low51.2Low60 Ų60124 Ų12462%0.61966%0.664SS**SBendtrans169.272.7178.800000116.6D155D155-G157 VanDerWaalsContact C-N 3.34Å; D155-G157 PolarHBondContact O-N 2.82Å
158V45.1Very low51Low127 Ų127124.8 Ų124.877%0.7768%0.676SS**  trans173.9118.2133.1150.70000107.4
159S51.6Low51.1Low120 Ų120124.1 Ų124.184%0.83968%0.681SS**  trans-68.1133.4170178.40000109.1D161S159-D161 PolarHBondContact O-N 3.32Å
160G53.9Low51.1Low73 Ų73122.3 Ų122.375%0.75368%0.681SS**  trans-35.6113.2-166.800000116.7
161D46.4Very low50.5Low150 Ų150122.3 Ų122.380%0.80268%0.681SS**  trans-99.5126.9162.8-165.227.1000108.2S159S159-D161 PolarHBondContact O-N 3.32Å
162Q40Very low50.9Low129 Ų129120.2 Ų120.260%0.60368%0.678SS**  trans-84.9145.6-171.1-61.3-175.226.200110.8S164Q162-S164 PolarHBondContact O-N 2.85Å
163V54.4Low51.4Low128 Ų128119.2 Ų119.278%0.77668%0.675SS**  trans-69.695.4175.8179.10000109.6
164S51.8Low51.9Low49 Ų49113 Ų11334%0.34366%0.658SS.*EExtended strand (participates in β ladder)trans-87141.4174.762.50000111.2Q162 Q171Q162-S164 PolarHBondContact O-N 2.85Å; S164-Q171 PolarHBondContact OG-OE1 3.49Å
165I56.2Low52.5Low96 Ų96107.3 Ų107.349%0.49265%0.647SS.*EExtended strand (participates in β ladder)trans-104.8138.2168-164.9168.4000108.8V172 L174I165-V172 PolarHBondContact N-O 2.84Å; I165-V172 PolarHBondContact O-N 3.23Å; I165-L174 HydrophobicContact CB-CD1 4.29Å; I165-L174 HydrophobicContact CG2-CD1 4.06Å; I165-L174 HydrophobicContact CG2-CD2 3.96Å; I165-L174 HydrophobicContact CG2-CG 4.07Å
166M57.5Low53.6Low129 Ų129103.9 Ų103.964%0.63563%0.633SS**EExtended strand (participates in β ladder)trans-94.1130.8170.7-70-162.3-48.900110.1Q171M166-Q171 HydrophobicContact CG-CG 3.66Å; M166-Q171 HydrophobicContact SD-CG 4.2Å
167V54.2Low54.1Low102 Ų102104.2 Ų104.262%0.61863%0.627SS**EExtended strand (participates in β ladder)trans-129.6127.4163.1-173.30000106.8G169 V170V167-G169 PolarHBondContact O-N 3.34Å; V167-V170 PolarHBondContact O-N 2.84Å
168D55.4Low54.9Low168 Ų168107.1 Ų107.190%0.89863%0.625SS**THydrogen-bonded Turntrans47.832.8-176.2-62.4-26.3000116.2
169G58.8Low55.9Low64 Ų64105.1 Ų105.166%0.6661%0.607SS**THydrogen-bonded Turntrans88.73.4168.600000116.3V167V167-G169 PolarHBondContact O-N 3.34Å
170V56.2Low56.6Low102 Ų102103.2 Ų103.262%0.61860%0.598SS**EExtended strand (participates in β ladder)trans-106.8128.4170.5-177.90000109.2V167V167-V170 PolarHBondContact O-N 2.84Å
171Q42.5Very low57Low132 Ų132103.1 Ų103.162%0.61758%0.583SS**EExtended strand (participates in β ladder)trans-78.8125.9173.8-74.9-175.987.200109.9S164 M166S164-Q171 PolarHBondContact OG-OE1 3.49Å; M166-Q171 HydrophobicContact CG-CG 3.66Å; M166-Q171 HydrophobicContact SD-CG 4.2Å
172V57.1Low57.7Low90 Ų90104.8 Ų104.855%0.54558%0.579SS.*EExtended strand (participates in β ladder)trans-118.8127.8173.3-170.30000108.3I165I165-V172 PolarHBondContact N-O 2.84Å; I165-V172 PolarHBondContact O-N 3.23Å
173A61.2Low58.7Low60 Ų60100.5 Ų100.550%0.49657%0.57SS.*EExtended strand (participates in β ladder)trans-69.5131.3174.400000109.6
174L58.6Low58.6Low91 Ų9199.4 Ų99.448%0.47657%0.568SS.*PPolyproline II helixtrans-85.5134.4173-65.7175.3000109I165I165-L174 HydrophobicContact CB-CD1 4.29Å; I165-L174 HydrophobicContact CG2-CD1 4.06Å; I165-L174 HydrophobicContact CG2-CD2 3.96Å; I165-L174 HydrophobicContact CG2-CG 4.07Å
175P61.4Low58.8Low88 Ų88101.7 Ų101.757%0.57158%0.584SS**PPolyproline II helixtrans-55.5141.9173.4-23.333.1000110.9
176S67.3Low58.6Low46 Ų46100.6 Ų100.632%0.32260%0.597SS.*PPolyproline II helixtrans-67.6157.6173.868.30000110.8E178 E179 A180S176-E178 VanDerWaalsContact C-N 3.25Å; S176-E178 WeakPolarHBondContact CB-OE1 3.46Å; S176-E178 PolarHBondContact O-N 3.37Å; S176-E178 PolarHBondContact OG-OE1 3.43Å; S176-E179 PolarHBondContact O-N 3.04Å; S176-A180 PolarHBondContact O-N 3.18Å; S176-A180 VanDerWaalsContact O-N 3.08Å
177Y58.4Low57.6Low184 Ų184103.1 Ų103.172%0.72261%0.607SS**Hα-helixtrans-59.6-37.7-177.8178.5-98.3000111.8E179 A180 V181Y177-E179 PolarHBondContact O-N 3.27Å; Y177-A180 PolarHBondContact O-N 2.85Å; Y177-V181 HydrophobicContact CD1-CG2 4.39Å; Y177-V181 HydrophobicContact CD2-CG2 4.18Å; Y177-V181 HydrophobicContact CE1-CG2 4.02Å; Y177-V181 HydrophobicContact CE2-CG2 3.78Å; Y177-V181 HydrophobicContact CG-CG2 4.47Å; Y177-V181 WeakPolarHBondContact O-CB 3.22Å; Y177-V181 WeakPolarHBondContact O-CG2 3.38Å; Y177-V181 PolarHBondContact O-N 3.41Å; Y177-V181 VanDerWaalsContact O-N 3.15Å
178E65.8Low57.1Low121 Ų121104.7 Ų104.757%0.56562%0.62SS**Hα-helixtrans-64.7-35.417564.4-80.217200113.5S176 Y182S176-E178 VanDerWaalsContact C-N 3.25Å; S176-E178 WeakPolarHBondContact CB-OE1 3.46Å; S176-E178 PolarHBondContact O-N 3.37Å; S176-E178 PolarHBondContact OG-OE1 3.43Å; E178-Y182 HydrophobicContact CB-CD2 4.42Å; E178-Y182 WeakPolarHBondContact O-CB 3.25Å; E178-Y182 WeakPolarHBondContact O-CD2 3.37Å; E178-Y182 PolarHBondContact O-N 3.44Å
179E65.8Low56.4Low86 Ų86102.8 Ų102.840%0.40262%0.615SS.*Hα-helixtrans-72.3-39177.6-174.1166.9-139.700112.2S176 Y177 V181 G183 S184S176-E179 PolarHBondContact O-N 3.04Å; Y177-E179 PolarHBondContact O-N 3.27Å; E179-V181 VanDerWaalsContact C-N 3.33Å; E179-V181 PolarHBondContact O-N 3.15Å; E179-G183 VanDerWaalsContact O-CA 3.3Å; E179-G183 WeakPolarHBondContact O-CA 3.26Å; E179-G183 PolarHBondContact O-N 2.99Å; E179-S184 VanDerWaalsContact OE1-CB 3.31Å; E179-S184 WeakPolarHBondContact OE1-CB 3.37Å; E179-S184 PolarHBondContact OE1-OG 2.98Å
180A66.4Low55.7Low79 Ų79105 Ų10565%0.65362%0.618SS**Hα-helixtrans-69-27.8178.200000113.8S176 Y177S176-A180 PolarHBondContact O-N 3.18Å; S176-A180 VanDerWaalsContact O-N 3.08Å; Y177-A180 PolarHBondContact O-N 2.85Å
181V61.9Low55.2Low71 Ų71106.6 Ų106.643%0.4363%0.63SS.*Hα-helixtrans-93.8-37.4-178.7175.20000112.7Y177 E179Y177-V181 HydrophobicContact CD1-CG2 4.39Å; Y177-V181 HydrophobicContact CD2-CG2 4.18Å; Y177-V181 HydrophobicContact CE1-CG2 4.02Å; Y177-V181 HydrophobicContact CE2-CG2 3.78Å; Y177-V181 HydrophobicContact CG-CG2 4.47Å; Y177-V181 WeakPolarHBondContact O-CB 3.22Å; Y177-V181 WeakPolarHBondContact O-CG2 3.38Å; Y177-V181 PolarHBondContact O-N 3.41Å; Y177-V181 VanDerWaalsContact O-N 3.15Å; E179-V181 VanDerWaalsContact C-N 3.33Å; E179-V181 PolarHBondContact O-N 3.15Å
182Y61.1Low54.9Low185 Ų185104.9 Ų104.973%0.72564%0.638SS**Hα-helixtrans-108.2-13.9-173.2-62.1-73.9000114.6E178E178-Y182 HydrophobicContact CB-CD2 4.42Å; E178-Y182 WeakPolarHBondContact O-CB 3.25Å; E178-Y182 WeakPolarHBondContact O-CD2 3.37Å; E178-Y182 PolarHBondContact O-N 3.44Å
183G60Low54.1Low39 Ų39105.7 Ų105.740%0.40264%0.64SS.*  trans72154.8-176.600000113.1E179 S185E179-G183 VanDerWaalsContact O-CA 3.3Å; E179-G183 WeakPolarHBondContact O-CA 3.26Å; E179-G183 PolarHBondContact O-N 2.99Å; G183-S185 PolarHBondContact O-N 3.34Å
184S54.1Low53.4Low106 Ų106109.3 Ų109.374%0.74166%0.658SS**SBendtrans-73.929.1-172.6-133.70000114.8E179E179-S184 VanDerWaalsContact OE1-CB 3.31Å; E179-S184 WeakPolarHBondContact OE1-CB 3.37Å; E179-S184 PolarHBondContact OE1-OG 2.98Å
185S54.8Low52.6Low96 Ų96114.8 Ų114.867%0.67167%0.672SS**SBendtrans-134.682.2176.562.80000110.5G183 H187G183-S185 PolarHBondContact O-N 3.34Å; S185-H187 PolarHBondContact O-N 2.91Å
186G52.4Low51.7Low74 Ų74116.8 Ų116.876%0.76368%0.682SS**  trans-57120.7-178.900000112.9
187H35.8Very low50.4Low182 Ų182122.9 Ų122.984%0.84371%0.706SS**  trans-134.3125.1164-108.955.7000109.4S185S185-H187 PolarHBondContact O-N 2.91Å
188C43.7Very low50.1Low134 Ų134120.8 Ų120.891%0.90571%0.706SS**  trans-78132.3-173.9-61.70000111.3
189V41.1Very low48.7Very low129 Ų129119.6 Ų119.678%0.78271%0.706SS**  trans-135.1134.3166.9-1770000108.1
190P45.4Very low47.5Very low111 Ų111123.2 Ų123.272%0.72173%0.727SS**  trans-76.9168.7-169.831.3-36.8000113.9
191P45.6Very low46.1Very low135 Ų135124 Ų12488%0.87773%0.729SS**  trans-76.7143.7-164.930.8-36.4000113.6
192A36.2Very low44.9Very low95 Ų95130.1 Ų130.179%0.78575%0.752SS**  trans-126.6118.8175.600000112.1
193D38.4Very low43.6Very low108 Ų108125 Ų12558%0.57876%0.756SS**  trans52.4111.9152.3-149.8-13000120R195D193-R195 PolarHBondContact O-N 2.88Å; D193-R195 WeakPolarHBondContact OD1-CD 3.24Å; D193-R195 VanDerWaalsContact OD1-CG 3.32Å; D193-R195 WeakPolarHBondContact OD1-CG 3.07Å; D193-R195 WeakPolarHBondContact OD2-CD 3.34Å
194P47.1Very low42.1Very low135 Ų135129.4 Ų129.488%0.87778%0.781SS**  trans-77.468.8172.235.3-35.7000111.6
195R43.1Very low41.1Very low207 Ų207127.7 Ų127.778%0.78178%0.78SS**  trans-126.965.4179.5-82.2-178.2164.7-179.8-6.2113.1D193D193-R195 PolarHBondContact O-N 2.88Å; D193-R195 WeakPolarHBondContact OD1-CD 3.24Å; D193-R195 VanDerWaalsContact OD1-CG 3.32Å; D193-R195 WeakPolarHBondContact OD1-CG 3.07Å; D193-R195 WeakPolarHBondContact OD2-CD 3.34Å
196V42.3Very low40.3Very low129 Ų129129.2 Ų129.278%0.78279%0.787SS**  trans-108.696.5161.3-175.40000109.1I198V196-I198 HydrophobicContact CG1-CG1 4.06Å; V196-I198 PolarHBondContact O-N 2.93Å
197Q39.4Very low39.2Very low174 Ų174132 Ų13281%0.81380%0.795SS**  trans-7793.1174.7-175.2-179.553.800108.8V199Q197-V199 VanDerWaalsContact C-N 3.34Å; Q197-V199 HydrophobicContact CG-CG2 3.98Å; Q197-V199 PolarHBondContact O-N 2.99Å
198I51.1Low38.9Very low141 Ų141126.8 Ų126.872%0.72379%0.79SS**  trans-76.189.2176.1-53.2179.3000108.8V196 L200V196-I198 HydrophobicContact CG1-CG1 4.06Å; V196-I198 PolarHBondContact O-N 2.93Å; I198-L200 HydrophobicContact CG2-CG 4.2Å
199V37.8Very low38.3Very low96 Ų96132.4 Ų132.458%0.58279%0.793SS**  trans-77.6115.5166.1-1760000108Q197Q197-V199 VanDerWaalsContact C-N 3.34Å; Q197-V199 HydrophobicContact CG-CG2 3.98Å; Q197-V199 PolarHBondContact O-N 2.99Å
200L40.7Very low37.7Very low161 Ų161131.5 Ų131.584%0.84379%0.792SS**  trans-111.7114.9161.5-72.5176000108.2I198I198-L200 HydrophobicContact CG2-CG 4.2Å
201S36.9Very low36.9Very low97 Ų97132.7 Ų132.768%0.67880%0.797SS**  trans-89.6150.2-175.3-58.60000112.7
202E36.4Very low36.2Very low198 Ų198131.9 Ų131.993%0.92579%0.794SS**  trans73.2114.3147.6-152.3132.4134.500120.2
203G33.7Very low35.9Very low78 Ų78136.7 Ų136.780%0.80479%0.792SS**  trans-164.3121.2162.700000108.6
204S29.1Very low35.4Very low132 Ų132137.8 Ų137.892%0.92379%0.794SS**  trans-90.2144-159.648.40000115.4
205G32Very low34.4Very low70 Ų70137.8 Ų137.872%0.72278%0.782SS**  trans175.5120.7172.600000112.4
206P37.8Very low33.6Very low128 Ų128137 Ų13783%0.83179%0.787SS**  trans-96.5164.7-169.436.7-35.8000115
207S28.8Very low33.5Very low131 Ų131136.2 Ų136.292%0.91679%0.785SS**  trans82.5107.9165.8-154.30000117
208G30.8Very low33.8Very low73 Ų73133.2 Ų133.275%0.75378%0.781SS**  trans176.947.5-178.500000114.7S210G208-S210 PolarHBondContact O-N 2.85Å
209R29.8Very low32.5Very low253 Ų253132.6 Ų132.696%0.95578%0.779SS**  trans-44110.9-178.7172.3-175.6169.5-177.5-2.7114.7
210S29.4Very low32.2Very low110 Ų110136.3 Ų136.377%0.76979%0.79SS**  trans-149.8114.7145.556.70000111.2G208G208-S210 PolarHBondContact O-N 2.85Å
211V28.1Very low31.6Very low135 Ų135132.3 Ų132.382%0.81879%0.787SS**  trans-114117.7167.61700000107.1
212S32.3Very low31.1Very low118 Ų118132.2 Ų132.283%0.82579%0.793SS**  trans-84.3131.2164.2-63.70000109.9
213R30Very low30.7Very low197 Ų197129 Ų12974%0.74379%0.791SS**  trans-176.8141.5170.5-113-165.414792.2-1.8107.4
214E26.8Very low30.5Very low130 Ų130131 Ų13161%0.60779%0.792SS**  cis-140.8137.110.5-84-169.5-32.500110.2
215Q25.7Very low30.4Very low135 Ų135130.3 Ų130.363%0.63179%0.787SS**  89.4102.293.3-66.3167.86.100117.2
216Q26.2Very low30.1Very low191 Ų191131.6 Ų131.689%0.89379%0.791SS**  trans55.8126.5131.5-96.2173.7-114.100123.5
217P41.5Very low29.5Very low113 Ų113129.3 Ų129.373%0.73479%0.791SS**  trans-110.3165.8169.142.6-35.5000114.3
218P44.3Very low29.6Very low111 Ų111125.8 Ų125.872%0.72178%0.776SS**  trans-101.4169.4144.838.5-30.8000110.6
219D24.5Very low29.8Very low127 Ų127131.4 Ų131.468%0.67978%0.782SS**  cis-153155.23.4-130-18000112.2
220Q31.4Very low29.8Very low174 Ų174126.3 Ų126.381%0.81377%0.774SS**  trans23.1146.8149.1-65164.46800121.8
221G28Very low29.8Very low77 Ų77129.7 Ų129.779%0.79478%0.778SS**  cis-177.5179.610.400000110.6
222A27.4Very low30.1Very low96 Ų96127.3 Ų127.379%0.79377%0.772SS**  trans-110.1167.6-155.100000117.6
223C27.2Very low30.9Very low131 Ų131127.9 Ų127.989%0.88577%0.773SS**  trans91.2133.9148.7-68.90000122.2
224S29Very low30.8Very low119 Ų119121.5 Ų121.583%0.83277%0.769SS**  trans-61.4154177.9-34.70000116.5
225S27Very low31Very low117 Ų117124.1 Ų124.182%0.81878%0.781SS**  164.9149.4107.6-161.40000114
226A26.7Very low31.2Very low97 Ų97123.5 Ų123.580%0.80279%0.791SS**  trans42.6128.7151.500000124.3
227G25.4Very low31.4Very low81 Ų81117.5 Ų117.584%0.83578%0.78SS**  107.3135.2121.200000120.8
228G30Very low31Very low57 Ų57120.3 Ų120.359%0.58879%0.788SS**  trans92.2112.3163.900000116
229E34.5Very low30.5Very low190 Ų190120.3 Ų120.389%0.88879%0.79SS**  77.9125.366.182.6-157.187.900111.7
230D30.8Very low30.8Very low146 Ų146122.7 Ų122.778%0.78180%0.797SS**  cis-131.9175.547.6-101-61000113.1
231E28.9Very low30.7Very low182 Ų182120.8 Ų120.885%0.8580%0.797SS**  cis-149.615117.7-158.5170.8106.700111.2
232A34.7Very low30.8Very low84 Ų84128.8 Ų128.869%0.69480%0.803SS**  trans-146.1175.2171.700000108
233P48.4Very low30.9Very low130 Ų130127.5 Ų127.584%0.84480%0.8SS**  cis-154.9-176.143.241.8-18.6000118.4
234G28.2Very low31Very low64 Ų64126.2 Ų126.266%0.6679%0.792SS**  trans148.375.4165.800000113.4
235Q31.1Very low31.3Very low185 Ų185132.5 Ų132.586%0.86480%0.797SS**  55.5133.6102.9-62.3178.63.200115.3
236S30.6Very low31.6Very low122 Ų122130.7 Ų130.785%0.85380%0.797SS**  cis-171.4164.7-12.5-78.10000107.2
237G30.8Very low32.1Very low64 Ų64131.7 Ų131.766%0.6680%0.798SS**  cis147.4133-6.700000112.8
238L32.7Very low32.8Very low172 Ų172136.4 Ų136.490%0.90180%0.799SS**  trans70.9157.2170.2-49171.4000116.9
239C32.9Very low33.2Very low111 Ų111139.6 Ų139.675%0.7581%0.807SS**  cis-160.2172.2-24.7-112.10000110.2
240E31.3Very low33.2Very low178 Ų178136.2 Ų136.283%0.83280%0.799SS**  trans-33.9160.7178.3-48.4-175.8142.100120.8
241V29.1Very low33.5Very low133 Ų133138.1 Ų138.181%0.80681%0.805SS**  172.2119.2113.2155.60000114.1
242W30.3Very low34.1Very low245 Ų245135.6 Ų135.693%0.92880%0.802SS**  trans54.5121138.2-155-83.4000126.1
243G28.9Very low34Very low70 Ų70140.3 Ų140.372%0.72281%0.809SS**  trans88.6163.713800000118.8
244S30.2Very low33.5Very low103 Ų103143.1 Ų143.172%0.7281%0.811SS**  cis-170.9148-14.2-1770000110.2
245R34.8Very low33.7Very low252 Ų252144.9 Ų144.995%0.95182%0.819SS**  trans62.4140164-79.8179.5169.7-125.6-2.1120.7
246G32.5Very low33.9Very low79 Ų79142.6 Ų142.681%0.81482%0.818SS**  trans157.293.215900000113
247S38.2Very low34.3Very low117 Ų117143.1 Ų143.182%0.81882%0.817SS**  trans-96.7179.5175.6-61.70000111.9
248E39.1Very low34.6Very low181 Ų181145.9 Ų145.985%0.84683%0.826SS**  trans86.5140.7168.2-52.5-177.7159.800115.9
249T38.9Very low34.9Very low124 Ų124143 Ų14376%0.76182%0.82SS**  cis-177.3-172.1-25.440.60000104.8
250V34.6Very low35Very low119 Ų119149.5 Ų149.572%0.72183%0.829SS**  trans101.6103.9169.3-175.40000115V252V250-V252 HydrophobicContact CG1-CG2 3.86Å
251M38.3Very low35.5Very low186 Ų186147.7 Ų147.792%0.91683%0.829SS**  trans-111.5129.5152.6-74.5-163.7-69.200108.5
252V39.8Very low35.8Very low128 Ų128146.2 Ų146.278%0.77683%0.831SS**  trans-94.2137.6178.7176.60000109.6V250V250-V252 HydrophobicContact CG1-CG2 3.86Å
253H33.2Very low36Very low183 Ų183138.3 Ų138.385%0.84783%0.826SS**  trans-72.4144.1179.3-64.1-169.6000111.6
254Q38.8Very low36.4Very low189 Ų189141.2 Ų141.288%0.88384%0.835SS**  trans-134.7104.7164-157.4169.9200110
255A30.9Very low36.4Very low101 Ų101139.9 Ų139.984%0.83584%0.837SS**  trans-85.8133.5176.300000110.1
256T35.3Very low36.5Very low138 Ų138135.6 Ų135.685%0.84783%0.834SS**  trans-110.7132.3173.6-52.90000109.8
257T39.4Very low36.4Very low133 Ų133144.1 Ų144.182%0.81684%0.841SS**  trans-86.8144-175.654.10000112.5
258S38.5Very low36Very low122 Ų122146.3 Ų146.385%0.85384%0.838SS**  trans-143.3146.9154.261.20000111.7
259S38.3Very low35.7Very low111 Ų111144.7 Ų144.778%0.77684%0.835SS**  trans-94.3149.4-163.7-177.80000113
260W33.7Very low35.3Very low248 Ų248143.5 Ų143.594%0.93984%0.837SS**  trans-82.8131.1170.3-6490.9000111
261V41.9Very low35.3Very low139 Ų139146.3 Ų146.384%0.84284%0.842SS**  trans-105.9125.8167173.80000108.7
262A37.4Very low35Very low102 Ų102146.7 Ų146.784%0.84384%0.839SS**  trans-84.1138.4175.300000111.4
263G33.8Very low34.8Very low79 Ų79149 Ų14981%0.81484%0.841SS**  trans-133.7122.4170.300000109.8
264S36.3Very low34.8Very low132 Ų132144.2 Ų144.292%0.92383%0.834SS**  trans-90.6146.7-172.7-172.60000112.4
265G31.2Very low34.8Very low74 Ų74139.2 Ų139.276%0.76383%0.825SS**  trans-174.386.7178.200000114.8
266N36.8Very low34.9Very low163 Ų163141.9 Ų141.987%0.87283%0.825SS**  trans-73.5137.1170.6-104.213.7000112
267R29.8Very low35Very low257 Ų257141 Ų14197%0.9782%0.824SS**  trans-160.4162.6142.3-110.1169.5-150-135.55.6112.4
268Q31.2Very low35.2Very low163 Ų163143.8 Ų143.876%0.76283%0.828SS**  trans-117.2147.6-153.1175.972.8-31.200111.8
269L32Very low35Very low147 Ų147145.2 Ų145.277%0.7783%0.826SS**  trans42130.2165.3-96.676.8000120.4
270A30.1Very low35.3Very low99 Ų99144 Ų14482%0.81882%0.818SS**  -168138.5115.300000112.4
271H34.3Very low36Very low178 Ų178140 Ų14082%0.82482%0.815SS**  trans-63.8131.7164.6-113.8-84.2000110.5
272K31.9Very low36.6Very low194 Ų194140.4 Ų140.484%0.84381%0.811SS**  trans-163.2104.7145.1-166.1146.7-175.2168.10111.8
273E36Very low36.9Very low177 Ų177144.7 Ų144.783%0.82781%0.813SS**  trans-88.3136.6161.6-75.2171.9101.300109.8
274A32.3Very low37.3Very low83 Ų83146.7 Ų146.769%0.68682%0.815SS**  trans-164.9125.1157.500000108.9
275A39.7Very low37.8Very low84 Ų84148.4 Ų148.469%0.69481%0.812SS**  trans47.4121.6139.700000118.2
276D33.2Very low38.5Very low156 Ų156152.9 Ų152.983%0.83482%0.818SS**  cis-169.915037-81.3-47.6000110.6
277S36.2Very low38.8Very low119 Ų119150.8 Ų150.883%0.83282%0.816SS**  trans174.592.7135.6-107.50000111.8
278E44.3Very low39.4Very low193 Ų193146.6 Ų146.690%0.90281%0.812SS**  28.5108.2121.9-166.6169.7107.200118.7
279N34.6Very low39.9Very low151 Ų151145 Ų14581%0.80781%0.814SS**  trans-174.4138.7131.1-165.310.4000113.9
280S44.7Very low40.3Very low86 Ų86144.1 Ų144.160%0.60182%0.82SS**  trans74.484153.2-68.80000121.6I282S280-I282 PolarHBondContact O-N 3.35Å
281D47.5Very low41Very low165 Ų165146.8 Ų146.888%0.88282%0.815SS**  trans-77.695.6148.7-74.3-63.2000111.7
282I55.3Low41.4Very low147 Ų147146.7 Ų146.775%0.75482%0.815SS**  trans-151.160.9164.851157.5000114.2S280S280-I282 PolarHBondContact O-N 3.35Å
283Q43.7Very low41.5Very low192 Ų192147.4 Ų147.490%0.89781%0.814SS**  trans-155.710.4165.7-120.3156.329.100119.4L285Q283-L285 PolarHBondContact O-N 3.02Å
284S42.6Very low42.2Very low121 Ų121144.1 Ų144.185%0.84681%0.806SS**  trans-88.718.2-176-56.60000116.5
285L47.2Very low43.2Very low167 Ų167146 Ų14687%0.87481%0.805SS**SBendtrans-124.542.6-177.7-69.4-179.6000114.6Q283Q283-L285 PolarHBondContact O-N 3.02Å
286L45.6Very low43.8Very low168 Ų168149.7 Ų149.788%0.8881%0.813SS**  trans-142.777163.7-74.5-179.2000111
287S42.9Very low45.1Very low120 Ų120148.8 Ų148.884%0.83981%0.806SS**  trans-152.243.3171.4-69.70000112.7
288L42.9Very low46.2Very low169 Ų169148.4 Ų148.489%0.88580%0.801SS**  trans-147.880.4168.9-77-177.7000111.1
289T41.4Very low46.4Very low130 Ų130147.2 Ų147.280%0.79880%0.8SS**  trans-168.393142.646.10000108.3
290S40.7Very low47.3Very low127 Ų127147.9 Ų147.989%0.88880%0.803SS**  trans-145.287.6150.8-161.30000106.5
291E43.4Very low47.8Very low156 Ų156152 Ų15273%0.72981%0.81SS**  trans-67.4173.7164.857.2-137.691.100111.4
292E42.7Very low47.9Very low176 Ų176153.6 Ų153.682%0.82281%0.812SS**  trans7977.3166.1-152.5106.7-140.700118.3
293Y35Very low47.5Very low209 Ų209154.2 Ų154.282%0.8284%0.839SS**  trans-146.4128.8133.1-164.5-94.4000111.1
294T51.1Low47.7Very low107 Ų107152.4 Ų152.466%0.65684%0.836SS**  trans-87.2133.6-178.650.40000112
295D51.9Low48Very low124 Ų124154 Ų15466%0.66384%0.836SS**  trans-154.7107.4153.8-137.2-62.6000111.4
296D53.2Low48Very low161 Ų161153.3 Ų153.386%0.86183%0.834SS**  trans-99.4105.8175.2-92.5-62.6000109.7
297I60.3Low48.2Very low136 Ų136152.4 Ų152.470%0.69783%0.831SS**  trans-134.2112.3164.5-59.5-178.1000110.1
298P58.7Low48.5Very low111 Ų111154.4 Ų154.472%0.72183%0.831SS**  trans-87.5129.5177.733.1-32000111.9
299L48.2Very low48.9Very low169 Ų169153.5 Ų153.589%0.88583%0.827SS**  trans-123.986.9163.3-73-179.9000110.6K301L299-K301 PolarHBondContact O-N 3.45Å
300L55.2Low49.4Very low165 Ų165155.1 Ų155.186%0.86483%0.829SS**  trans-80.6105.6165.8-83169.6000110.2
301K53.8Low50.1Low171 Ų171157.3 Ų157.374%0.74383%0.825SS**  47.6109.3128.7-172.1169-177.3173.40117.8L299L299-K301 PolarHBondContact O-N 3.45Å
302E50.4Low50.6Low200 Ų200157.4 Ų157.494%0.93583%0.832SS**  trans-65.2132.3151.9-68-147.4130.800111.2
303A47.3Very low51.4Low160 Ų160155.7 Ų155.7100%1.32283%0.833SS**  trans-159.70160.400000108.5

Retrieved 303 of 303 residues in 358.8 ms (Link to these results)