G4VLL3_SCHMA Loading...

Transcription factor BTF3

AlphaFold DB , UniProt , Accession G4VLL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 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
1M56.5Low83.7Confident220 Ų220124.8 Ų124.8100%1.08461%0.612SS**  01220-66-147.6-145.500107V3M1-V3 PolarHBondContact O-N 3.03Å; M1-V3 VanDerWaalsContact O-N 3.17Å
2D78.2Confident83.9Confident124 Ų124125.3 Ų125.366%0.66361%0.612SS**  trans-66.7113.3-173.4-57.4-40.1000110.5D4 K5 V6D2-D4 PolarHBondContact O-N 3.36Å; D2-K5 HydrophobicContact CB-CB 4.19Å; D2-K5 PolarHBondContact O-N 3.05Å; D2-K5 VanDerWaalsContact O-N 3.13Å; D2-V6 PolarHBondContact O-N 3.36Å
3V82.8Confident83.9Confident95 Ų95126.6 Ų126.658%0.57661%0.612SS**Hα-helixtrans-58.1-32.3-175.7178.90000111.4M1 V6 R7M1-V3 PolarHBondContact O-N 3.03Å; M1-V3 VanDerWaalsContact O-N 3.17Å; V3-V6 PolarHBondContact O-N 2.81Å; V3-R7 PolarHBondContact O-N 3.46Å; V3-R7 VanDerWaalsContact O-N 3.1Å
4D84.9Confident83.7Confident111 Ų111124.6 Ų124.659%0.59461%0.606SS**Hα-helixtrans-72.6-36.6-179.9-63.4-32.5000112.7D2 V6 R7 M8D2-D4 PolarHBondContact O-N 3.36Å; D4-V6 VanDerWaalsContact C-N 3.34Å; D4-V6 PolarHBondContact O-N 3.23Å; D4-R7 PolarHBondContact O-N 3.37Å; D4-R7 IonicContact OD1-NH1 2.69Å; D4-M8 WeakPolarHBondContact O-CG 3.46Å; D4-M8 PolarHBondContact O-N 3.38Å
5K87Confident83.4Confident133 Ų133127.5 Ų127.558%0.57861%0.614SS**Hα-helixtrans-62.4-44.1174.2-173.2176.4178.2-179.60110.9D2 R7 M8 E9D2-K5 HydrophobicContact CB-CB 4.19Å; D2-K5 PolarHBondContact O-N 3.05Å; D2-K5 VanDerWaalsContact O-N 3.13Å; K5-R7 VanDerWaalsContact C-N 3.33Å; K5-R7 PolarHBondContact O-N 2.99Å; K5-M8 PolarHBondContact O-N 3.34Å; K5-E9 WeakPolarHBondContact CE-OE1 3.42Å; K5-E9 WeakPolarHBondContact O-CG 3.49Å; K5-E9 PolarHBondContact O-N 3.35Å
6V88.1Confident82.9Confident80 Ų80123.6 Ų123.649%0.48562%0.617SS.*Hα-helixtrans-63.7-37.8177.3179.40000111.8D2 V3 D4 K10D2-V6 PolarHBondContact O-N 3.36Å; V3-V6 PolarHBondContact O-N 2.81Å; D4-V6 VanDerWaalsContact C-N 3.34Å; D4-V6 PolarHBondContact O-N 3.23Å; V6-K10 WeakPolarHBondContact O-CB 3.36Å; V6-K10 PolarHBondContact O-N 2.94Å; V6-K10 VanDerWaalsContact O-N 3.1Å
7R90.4Very high82.4Confident155 Ų155122 Ų12259%0.58561%0.609SS**Hα-helixtrans-65.3-44.5174.1-86.1-169.4-179116.2-1.8112.2V3 D4 K5 K10 L11V3-R7 PolarHBondContact O-N 3.46Å; V3-R7 VanDerWaalsContact O-N 3.1Å; D4-R7 PolarHBondContact O-N 3.37Å; D4-R7 IonicContact OD1-NH1 2.69Å; K5-R7 VanDerWaalsContact C-N 3.33Å; K5-R7 PolarHBondContact O-N 2.99Å; R7-K10 PolarHBondContact O-N 3.45Å; R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.24Å
8M89.6Confident81.7Confident109 Ų109118.7 Ų118.754%0.53760%0.599SS.*Hα-helixtrans-62.6-47.3179.5-75.5-65.9-73.700111.5D4 K5 K10 L11 E12D4-M8 WeakPolarHBondContact O-CG 3.46Å; D4-M8 PolarHBondContact O-N 3.38Å; K5-M8 PolarHBondContact O-N 3.34Å; M8-K10 VanDerWaalsContact C-N 3.29Å; M8-K10 PolarHBondContact O-N 3.02Å; M8-L11 PolarHBondContact O-N 2.96Å; M8-L11 VanDerWaalsContact O-N 3.13Å; M8-E12 WeakPolarHBondContact O-CG 3.29Å; M8-E12 PolarHBondContact O-N 3.5Å
9E88.4Confident80.9Confident101 Ų101120.5 Ų120.547%0.47261%0.611SS.*Hα-helixtrans-59.7-39.2175.6-71173.4-174.500111.9K5 K13K5-E9 WeakPolarHBondContact CE-OE1 3.42Å; K5-E9 WeakPolarHBondContact O-CG 3.49Å; K5-E9 PolarHBondContact O-N 3.35Å; E9-K13 WeakPolarHBondContact O-CB 3.29Å; E9-K13 PolarHBondContact O-N 3.47Å
10K88.6Confident80.2Confident140 Ų140120.5 Ų120.561%0.60961%0.608SS**Hα-helixtrans-66.2-41175.7-173174.6-177.61780112.1V6 R7 M8 K13 L14V6-K10 WeakPolarHBondContact O-CB 3.36Å; V6-K10 PolarHBondContact O-N 2.94Å; V6-K10 VanDerWaalsContact O-N 3.1Å; R7-K10 PolarHBondContact O-N 3.45Å; M8-K10 VanDerWaalsContact C-N 3.29Å; M8-K10 PolarHBondContact O-N 3.02Å; K10-K13 PolarHBondContact O-N 3.06Å; K10-L14 HydrophobicContact CG-CD1 4.21Å; K10-L14 WeakPolarHBondContact O-CB 3.3Å; K10-L14 VanDerWaalsContact O-CG 3.26Å; K10-L14 WeakPolarHBondContact O-CG 3.49Å; K10-L14 PolarHBondContact O-N 3.09Å
11L86.4Confident79.8Confident105 Ų105118.5 Ų118.555%0.5560%0.602SS.*Hα-helixtrans-65.6-42.6177-76.9171.8000111.6R7 M8 L14 K15R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.24Å; M8-L11 PolarHBondContact O-N 2.96Å; M8-L11 VanDerWaalsContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.27Å; L11-K15 WeakPolarHBondContact O-CB 3.41Å; L11-K15 PolarHBondContact O-N 3.38Å
12E85.8Confident80.6Confident130 Ų130112.4 Ų112.461%0.60757%0.567SS**Hα-helixtrans-62-44175.1-72.6178.9171.800111.6M8 L14 K15 G16M8-E12 WeakPolarHBondContact O-CG 3.29Å; M8-E12 PolarHBondContact O-N 3.5Å; E12-L14 PolarHBondContact O-N 3.3Å; E12-K15 WeakPolarHBondContact O-CB 3.45Å; E12-K15 PolarHBondContact O-N 3.06Å; E12-G16 PolarHBondContact O-N 3.45Å
13K83.7Confident80.6Confident143 Ų143112.8 Ų112.862%0.62257%0.568SS**Hα-helixtrans-61.2-41.7174.9-173174.5-177.4176.10112.4E9 K10 G16 M17E9-K13 WeakPolarHBondContact O-CB 3.29Å; E9-K13 PolarHBondContact O-N 3.47Å; K10-K13 PolarHBondContact O-N 3.06Å; K13-G16 PolarHBondContact O-N 3.05Å; K13-M17 HydrophobicContact CD-CE 4.26Å; K13-M17 HydrophobicContact CG-CE 3.8Å; K13-M17 WeakPolarHBondContact O-CG 3.39Å; K13-M17 PolarHBondContact O-N 3.27Å
14L81.6Confident80.2Confident99 Ų99111 Ų11152%0.51857%0.568SS.*Hα-helixtrans-66.1-38.1176.1-74.4167.6000111.9K10 L11 E12 M17 S18K10-L14 HydrophobicContact CG-CD1 4.21Å; K10-L14 WeakPolarHBondContact O-CB 3.3Å; K10-L14 VanDerWaalsContact O-CG 3.26Å; K10-L14 WeakPolarHBondContact O-CG 3.49Å; K10-L14 PolarHBondContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 3.27Å; E12-L14 PolarHBondContact O-N 3.3Å; L14-M17 PolarHBondContact O-N 3.23Å; L14-S18 PolarHBondContact O-N 3.18Å; L14-S18 VanDerWaalsContact O-N 3.15Å
15K79Confident80Confident168 Ų168107.5 Ų107.573%0.7356%0.558SS**Hα-helixtrans-64.9-39.5175.8-167.3178-180-175.90111.6L11 E12 M17 S18L11-K15 WeakPolarHBondContact O-CB 3.41Å; L11-K15 PolarHBondContact O-N 3.38Å; E12-K15 WeakPolarHBondContact O-CB 3.45Å; E12-K15 PolarHBondContact O-N 3.06Å; K15-M17 VanDerWaalsContact C-N 3.28Å; K15-M17 PolarHBondContact O-N 3.49Å; K15-S18 PolarHBondContact O-N 3.36Å; K15-S18 PolarHBondContact O-OG 3.03Å
16G76Confident79.6Confident64 Ų64110.8 Ų110.866%0.6657%0.573SS**Hα-helixtrans-66-27.9173.200000113.9E12 K13E12-G16 PolarHBondContact O-N 3.45Å; K13-G16 PolarHBondContact O-N 3.05Å
17M74.1Confident79.2Confident97 Ų97110.7 Ų110.748%0.47859%0.588SS.*Hα-helixtrans-86.7-10178.7-69.2-179.4-173.400114.1K13 L14 K15 D19 Q20 V21K13-M17 HydrophobicContact CD-CE 4.26Å; K13-M17 HydrophobicContact CG-CE 3.8Å; K13-M17 WeakPolarHBondContact O-CG 3.39Å; K13-M17 PolarHBondContact O-N 3.27Å; L14-M17 PolarHBondContact O-N 3.23Å; K15-M17 VanDerWaalsContact C-N 3.28Å; K15-M17 PolarHBondContact O-N 3.49Å; M17-D19 PolarHBondContact O-N 3.35Å; M17-Q20 PolarHBondContact O-N 3.43Å; M17-V21 PolarHBondContact O-N 3.48Å
18S69.7Low78.8Confident63 Ų63105.8 Ų105.844%0.44158%0.576SS.*G310 helixtrans-59.4-33.2-173.764.40000113.1L14 K15 Q20 V21L14-S18 PolarHBondContact O-N 3.18Å; L14-S18 VanDerWaalsContact O-N 3.15Å; K15-S18 PolarHBondContact O-N 3.36Å; K15-S18 PolarHBondContact O-OG 3.03Å; S18-Q20 VanDerWaalsContact C-N 3.25Å; S18-Q20 PolarHBondContact O-N 3.02Å; S18-V21 WeakPolarHBondContact O-CB 3.45Å; S18-V21 WeakPolarHBondContact O-CG2 3.39Å; S18-V21 PolarHBondContact O-N 3.15Å
19D66.9Low78.3Confident153 Ų153104.1 Ų104.182%0.81858%0.579SS**G310 helixtrans-72.6-20.5-179.9-69.4-14.7000113M17M17-D19 PolarHBondContact O-N 3.35Å
20Q66.9Low77.8Confident119 Ų119106.1 Ų106.156%0.55658%0.583SS**G310 helixtrans-97.93.8179.8-142.4165.340.900113M17 S18 R22M17-Q20 PolarHBondContact O-N 3.43Å; S18-Q20 VanDerWaalsContact C-N 3.25Å; S18-Q20 PolarHBondContact O-N 3.02Å; Q20-R22 PolarHBondContact O-N 3.23Å; Q20-R22 VanDerWaalsContact O-N 3.13Å
21V70.4Confident77.3Confident79 Ų79108.4 Ų108.448%0.47959%0.587SS.*  trans-59.9117.5-177.11770000110.4M17 S18 R31M17-V21 PolarHBondContact O-N 3.48Å; S18-V21 WeakPolarHBondContact O-CB 3.45Å; S18-V21 WeakPolarHBondContact O-CG2 3.39Å; S18-V21 PolarHBondContact O-N 3.15Å; V21-R31 PolarHBondContact O-N 3.41Å
22R74.8Confident76.8Confident92 Ų92112.8 Ų112.835%0.34760%0.602SS.*BIsolated β-bridgetrans-94.4156.6170.4-58.6-178.7-179.7117.2-1.9108.9Q20 G24 G25 T28 R30Q20-R22 PolarHBondContact O-N 3.23Å; Q20-R22 VanDerWaalsContact O-N 3.13Å; R22-G24 VanDerWaalsContact C-N 3.31Å; R22-G24 PolarHBondContact O-N 3.1Å; R22-G25 WeakPolarHBondContact CD-O 3.44Å; R22-T28 WeakPolarHBondContact CB-OG1 3.22Å; R22-R30 HydrophobicContact CG-CG 4.28Å
23I77.9Confident76.4Confident132 Ų132115.2 Ų115.268%0.67761%0.61SS**SBendtrans-68.6-30.5-176.7-60.8176.6000111.8A29 R31I23-A29 PolarHBondContact N-O 3.02Å; I23-R31 HydrophobicContact CG1-CB 4.15Å
24G73.7Confident76.3Confident57 Ų57117.2 Ų117.259%0.58862%0.619SS**SBendtrans-149.631.1-175.500000115.6R22 T28R22-G24 VanDerWaalsContact C-N 3.31Å; R22-G24 PolarHBondContact O-N 3.1Å; G24-T28 VanDerWaalsContact C-OG1 3.23Å; G24-T28 WeakPolarHBondContact CA-OG1 3.42Å; G24-T28 PolarHBondContact N-OG1 3.39Å; G24-T28 WeakPolarHBondContact O-CG2 3.4Å
25G80.7Confident76.2Confident38 Ų38116.5 Ų116.539%0.39262%0.619SS.*SBendtrans95.9-169.4175.900000115.8R22 G27 T28R22-G25 WeakPolarHBondContact CD-O 3.44Å; G25-G27 PolarHBondContact O-N 2.98Å; G25-T28 PolarHBondContact N-OG1 3.19Å; G25-T28 VanDerWaalsContact N-OG1 3.11Å; G25-T28 WeakPolarHBondContact O-CB 3.48Å; G25-T28 PolarHBondContact O-N 3.44Å; G25-T28 VanDerWaalsContact O-N 3.1Å; G25-T28 PolarHBondContact O-OG1 3.35Å
26K78.4Confident76.4Confident202 Ų202113.2 Ų113.288%0.87861%0.612SS**THydrogen-bonded Turntrans-63126.8-173.7-174.1177.1178.3-176.90110.3T28K26-T28 VanDerWaalsContact C-N 3.35Å
27G80.4Confident76.6Confident79 Ų79117.9 Ų117.981%0.81462%0.617SS**THydrogen-bonded Turntrans92-16.9-175.400000114.6G25G25-G27 PolarHBondContact O-N 2.98Å
28T82.8Confident76.9Confident51 Ų51121.8 Ų121.831%0.31363%0.631SS.*SBendtrans-78.315517568.30000112.2R22 G24 G25 K26 R30R22-T28 WeakPolarHBondContact CB-OG1 3.22Å; G24-T28 VanDerWaalsContact C-OG1 3.23Å; G24-T28 WeakPolarHBondContact CA-OG1 3.42Å; G24-T28 PolarHBondContact N-OG1 3.39Å; G24-T28 WeakPolarHBondContact O-CG2 3.4Å; G25-T28 PolarHBondContact N-OG1 3.19Å; G25-T28 VanDerWaalsContact N-OG1 3.11Å; G25-T28 WeakPolarHBondContact O-CB 3.48Å; G25-T28 PolarHBondContact O-N 3.44Å; G25-T28 VanDerWaalsContact O-N 3.1Å; G25-T28 PolarHBondContact O-OG1 3.35Å; K26-T28 VanDerWaalsContact C-N 3.35Å; T28-R30 PolarHBondContact O-N 3.42Å
29A78.8Confident77.4Confident75 Ų75123.7 Ų123.762%0.6264%0.636SS**PPolyproline II helixtrans-54130.7176.900000110.6I23I23-A29 PolarHBondContact N-O 3.02Å
30R77.3Confident78.1Confident143 Ų143120.1 Ų120.154%0.5463%0.628SS.*BIsolated β-bridgetrans-58.9139.7170.6-71.4178.8179.7-109.97.9108.5R22 T28 K32R22-R30 HydrophobicContact CG-CG 4.28Å; T28-R30 PolarHBondContact O-N 3.42Å; R30-K32 PolarHBondContact O-N 3.14Å
31R77.8Confident78.8Confident188 Ų188117.8 Ų117.871%0.70963%0.629SS**PPolyproline II helixtrans-58.9118.5173.8-175.2-179.5-178.1-171.82.1107.8V21 I23 K33V21-R31 PolarHBondContact O-N 3.41Å; I23-R31 HydrophobicContact CG1-CB 4.15Å; R31-K33 PolarHBondContact O-N 3.25Å; R31-K33 VanDerWaalsContact O-N 3.16Å
32K76.4Confident79.5Confident196 Ų196116.1 Ų116.185%0.85262%0.624SS**  trans-66.8115.1176-65.2-175.5-179.3-179.30108R30 K34R30-K32 PolarHBondContact O-N 3.14Å; K32-K34 PolarHBondContact O-N 3.44Å
33K78.1Confident80.2Confident181 Ų181115.5 Ų115.579%0.78763%0.627SS**  trans-66.9116.1168.7-178.8176.7179.6176.20107.4R31 V35R31-K33 PolarHBondContact O-N 3.25Å; R31-K33 VanDerWaalsContact O-N 3.16Å; K33-V35 VanDerWaalsContact C-N 3.35Å; K33-V35 HydrophobicContact CD-CG2 4.34Å; K33-V35 HydrophobicContact CG-CG2 4.19Å; K33-V35 PolarHBondContact O-N 2.92Å
34K80.2Confident80.7Confident186 Ų186113.2 Ų113.281%0.80962%0.617SS**  trans-7096.5169.2-173.6-179.3-177.6-178.70107.5K32 V36K32-K34 PolarHBondContact O-N 3.44Å; K34-V36 HydrophobicContact CD-CG2 4.36Å; K34-V36 HydrophobicContact CG-CG2 4.22Å; K34-V36 PolarHBondContact O-N 3.12Å
35V81.1Confident81.6Confident83 Ų83118.3 Ų118.350%0.50362%0.622SS.*  trans-78.3106.3169.2-177.30000106.7K33 H37K33-V35 VanDerWaalsContact C-N 3.35Å; K33-V35 HydrophobicContact CD-CG2 4.34Å; K33-V35 HydrophobicContact CG-CG2 4.19Å; K33-V35 PolarHBondContact O-N 2.92Å; V35-H37 PolarHBondContact O-N 2.99Å; V35-H37 PolarHBondContact O-ND1 2.93Å; V35-H37 VanDerWaalsContact O-ND1 3.15Å
36V82.1Confident82.2Confident99 Ų99122.9 Ų122.960%0.663%0.632SS**  trans-78.2102.3173.6-178.80000107.2K34 K38K34-V36 HydrophobicContact CD-CG2 4.36Å; K34-V36 HydrophobicContact CG-CG2 4.22Å; K34-V36 PolarHBondContact O-N 3.12Å; V36-K38 HydrophobicContact CG1-CG 4.34Å; V36-K38 PolarHBondContact O-N 3.12Å
37H80.9Confident82.9Confident162 Ų162117.3 Ų117.375%0.7561%0.611SS**  trans-77.9102.9170.8-6085.9000107.4V35 N39V35-H37 PolarHBondContact O-N 2.99Å; V35-H37 PolarHBondContact O-ND1 2.93Å; V35-H37 VanDerWaalsContact O-ND1 3.15Å; H37-N39 PolarHBondContact O-N 2.93Å
38K79.3Confident83.4Confident180 Ų180115.7 Ų115.778%0.78358%0.582SS**  trans-76.4111.6168.4-64.3-175-179.5-176.50107.1V36 A40V36-K38 HydrophobicContact CG1-CG 4.34Å; V36-K38 PolarHBondContact O-N 3.12Å; K38-A40 PolarHBondContact O-N 3.46Å
39N81.1Confident83.9Confident102 Ų102116 Ų11655%0.54559%0.587SS.*  trans-87.2102.5172.9-176.90.7000108.6H37 A41 A42 D43H37-N39 PolarHBondContact O-N 2.93Å; N39-A41 PolarHBondContact O-N 3.37Å; N39-A41 VanDerWaalsContact O-N 3.12Å; N39-A41 PolarHBondContact OD1-N 3.02Å; N39-A42 HydrophobicContact CB-CB 4.17Å; N39-A42 PolarHBondContact O-N 3.42Å; N39-D43 PolarHBondContact O-N 2.87Å
40A80.4Confident84.6Confident79 Ų79115.3 Ų115.365%0.65358%0.577SS**Hα-helixtrans-53.8-33.1-179.700000113K38 D43 D44K38-A40 PolarHBondContact O-N 3.46Å; A40-D43 PolarHBondContact O-N 3.31Å; A40-D44 PolarHBondContact O-N 3.25Å
41A82.9Confident85.3Confident70 Ų70109.9 Ų109.958%0.57956%0.558SS**Hα-helixtrans-70.2-34.5179.300000113.2N39 D43 K45N39-A41 PolarHBondContact O-N 3.37Å; N39-A41 VanDerWaalsContact O-N 3.12Å; N39-A41 PolarHBondContact OD1-N 3.02Å; A41-D43 VanDerWaalsContact C-N 3.34Å; A41-K45 PolarHBondContact O-N 2.91Å
42A85.3Confident85.9Confident43 Ų43109 Ų10936%0.35556%0.56SS.*Hα-helixtrans-70.9-35.4176.600000111.4N39 K46N39-A42 HydrophobicContact CB-CB 4.17Å; N39-A42 PolarHBondContact O-N 3.42Å; A42-K46 WeakPolarHBondContact O-CG 3.43Å; A42-K46 PolarHBondContact O-N 3.15Å
43D88.2Confident86.7Confident80 Ų80107.7 Ų107.743%0.42855%0.554SS.*Hα-helixtrans-72.2-39.7178.8-68.5-21.2000111.6N39 A40 A41 K45 K46 L47N39-D43 PolarHBondContact O-N 2.87Å; A40-D43 PolarHBondContact O-N 3.31Å; A41-D43 VanDerWaalsContact C-N 3.34Å; D43-K45 PolarHBondContact O-N 3.46Å; D43-K46 PolarHBondContact O-N 3.35Å; D43-L47 WeakPolarHBondContact O-CB 3.45Å; D43-L47 PolarHBondContact O-N 3.46Å
44D89.7Confident87.3Confident84 Ų84104.4 Ų104.445%0.44955%0.545SS..Hα-helixtrans-60.2-43.5173.8-179.963.6000111.6A40 K46 L47 Q48A40-D44 PolarHBondContact O-N 3.25Å; D44-K46 VanDerWaalsContact C-N 3.29Å; D44-K46 PolarHBondContact O-N 2.89Å; D44-L47 CarbonylContact O-C 3.59Å; D44-L47 WeakPolarHBondContact O-CB 3.39Å; D44-L47 PolarHBondContact O-N 3.31Å; D44-L47 VanDerWaalsContact O-N 3.08Å; D44-Q48 WeakPolarHBondContact O-CG 3.39Å; D44-Q48 PolarHBondContact O-N 2.89Å; D44-Q48 PolarHBondContact OD1-NE2 2.76Å
45K91.7Very high87.8Confident164 Ų164101.5 Ų101.571%0.71354%0.538SS*.Hα-helixtrans-59.3-39.2176.6-173175.9-179.2179.40112.5A41 D43 S49A41-K45 PolarHBondContact O-N 2.91Å; D43-K45 PolarHBondContact O-N 3.46Å; K45-S49 PolarHBondContact O-N 3.19Å
46K93.3Very high88.4Confident134 Ų13498.1 Ų98.158%0.58352%0.517SS*.Hα-helixtrans-68.1-40.4175.5-70176.9-176.6174.10111.5A42 D43 D44 S49 S50A42-K46 WeakPolarHBondContact O-CG 3.43Å; A42-K46 PolarHBondContact O-N 3.15Å; D43-K46 PolarHBondContact O-N 3.35Å; D44-K46 VanDerWaalsContact C-N 3.29Å; D44-K46 PolarHBondContact O-N 2.89Å; K46-S49 PolarHBondContact O-N 2.98Å; K46-S49 PolarHBondContact O-OG 3.37Å; K46-S50 PolarHBondContact O-N 3.23Å; K46-S50 PolarHBondContact O-OG 2.99Å
47L92.3Very high89Confident85 Ų8599 Ų9945%0.44552%0.518SS..Hα-helixtrans-62.1-48.7175.5-178.8135.9000111D43 D44 S49 S50 L51D43-L47 WeakPolarHBondContact O-CB 3.45Å; D43-L47 PolarHBondContact O-N 3.46Å; D44-L47 CarbonylContact O-C 3.59Å; D44-L47 WeakPolarHBondContact O-CB 3.39Å; D44-L47 PolarHBondContact O-N 3.31Å; D44-L47 VanDerWaalsContact O-N 3.08Å; L47-S49 VanDerWaalsContact C-N 3.29Å; L47-S49 PolarHBondContact O-N 3.2Å; L47-S50 WeakPolarHBondContact O-CB 3.37Å; L47-S50 PolarHBondContact O-N 3.43Å; L47-L51 HydrophobicContact CD2-CD1 3.52Å; L47-L51 HydrophobicContact CD2-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.15Å; L47-L51 WeakPolarHBondContact O-CG 3.19Å; L47-L51 PolarHBondContact O-N 2.8Å
48Q92.2Very high89.5Confident45 Ų4595.1 Ų95.121%0.2151%0.506CS..Hα-helixtrans-57.2-41.2174.4-64.6-56.8-34.900112.1D44 S50 L51 K52D44-Q48 WeakPolarHBondContact O-CG 3.39Å; D44-Q48 PolarHBondContact O-N 2.89Å; D44-Q48 PolarHBondContact OD1-NE2 2.76Å; Q48-S50 VanDerWaalsContact C-N 3.3Å; Q48-S50 PolarHBondContact O-N 3.46Å; Q48-L51 PolarHBondContact O-N 3.45Å; Q48-K52 WeakPolarHBondContact O-CB 3.45Å; Q48-K52 PolarHBondContact O-N 3Å
49S93.2Very high90.1Very high58 Ų5890 Ų9041%0.40649%0.486SS..Hα-helixtrans-65.5-33.2176.3770000113K45 K46 L47 K53K45-S49 PolarHBondContact O-N 3.19Å; K46-S49 PolarHBondContact O-N 2.98Å; K46-S49 PolarHBondContact O-OG 3.37Å; L47-S49 VanDerWaalsContact C-N 3.29Å; L47-S49 PolarHBondContact O-N 3.2Å; S49-K53 WeakPolarHBondContact O-CG 3.31Å; S49-K53 PolarHBondContact O-N 3.35Å
50S92.9Very high90.7Very high60 Ų6089.8 Ų89.842%0.4249%0.491SS..Hα-helixtrans-74.2-41.6178.4-54.80000111.1K46 L47 Q48 K52 K53 L54K46-S50 PolarHBondContact O-N 3.23Å; K46-S50 PolarHBondContact O-OG 2.99Å; L47-S50 WeakPolarHBondContact O-CB 3.37Å; L47-S50 PolarHBondContact O-N 3.43Å; Q48-S50 VanDerWaalsContact C-N 3.3Å; Q48-S50 PolarHBondContact O-N 3.46Å; S50-K52 VanDerWaalsContact C-N 3.32Å; S50-K52 PolarHBondContact O-N 3.2Å; S50-K53 WeakPolarHBondContact O-CB 3.33Å; S50-K53 PolarHBondContact O-N 3.4Å; S50-L54 PolarHBondContact O-N 3.16Å
51L92.4Very high91.2Very high28 Ų2892.6 Ų92.615%0.14750%0.5CS..Hα-helixtrans-65.2-37.5175.9-62.8172.4000111.4L47 Q48 K53 L54 L56 A92L47-L51 HydrophobicContact CD2-CD1 3.52Å; L47-L51 HydrophobicContact CD2-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.15Å; L47-L51 WeakPolarHBondContact O-CG 3.19Å; L47-L51 PolarHBondContact O-N 2.8Å; Q48-L51 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.25Å; L51-L54 PolarHBondContact O-N 2.88Å; L51-L56 HydrophobicContact CB-CB 4.39Å; L51-L56 HydrophobicContact CB-CD1 3.83Å; L51-L56 HydrophobicContact CD2-CD1 3.35Å; L51-L56 HydrophobicContact CG-CD1 4.15Å; L51-L56 WeakPolarHBondContact O-CB 3.02Å; L51-L56 PolarHBondContact O-N 3.16Å; L51-A92 HydrophobicContact CD1-CB 4.32Å; L51-A92 HydrophobicContact CD2-CB 4.09Å
52K91.1Very high91.7Very high169 Ų16991.1 Ų91.174%0.73548%0.482SS*.Hα-helixtrans-63.2-35.5173.4-169.4174.6-177.6179.50112.9Q48 S50 L54 N55Q48-K52 WeakPolarHBondContact O-CB 3.45Å; Q48-K52 PolarHBondContact O-N 3Å; S50-K52 VanDerWaalsContact C-N 3.32Å; S50-K52 PolarHBondContact O-N 3.2Å; K52-L54 VanDerWaalsContact C-N 3.29Å; K52-L54 PolarHBondContact O-N 3.13Å; K52-N55 PolarHBondContact O-N 3.47Å; K52-N55 VanDerWaalsContact O-N 3.12Å
53K92.3Very high92Very high170 Ų17096.4 Ų96.474%0.73950%0.499SS*.Hα-helixtrans-65.9-30.6175.1-72.9173.7-177.9-1760112.9S49 S50 L51 N55S49-K53 WeakPolarHBondContact O-CG 3.31Å; S49-K53 PolarHBondContact O-N 3.35Å; S50-K53 WeakPolarHBondContact O-CB 3.33Å; S50-K53 PolarHBondContact O-N 3.4Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.25Å; K53-N55 PolarHBondContact O-N 3.34Å
54L90.8Very high92.2Very high112 Ų11296 Ų9659%0.58650%0.495SS*.THydrogen-bonded Turntrans-81.310.1174.1-63.6175.7000112.8S50 L51 K52 L56S50-L54 PolarHBondContact O-N 3.16Å; L51-L54 PolarHBondContact O-N 2.88Å; K52-L54 VanDerWaalsContact C-N 3.29Å; K52-L54 PolarHBondContact O-N 3.13Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CG 4.2Å; L54-L56 HydrophobicContact CD1-CD1 4.4Å; L54-L56 PolarHBondContact O-N 3.36Å
55N91.4Very high92.3Very high124 Ų12493.4 Ų93.466%0.66348%0.482SS*.THydrogen-bonded Turntrans57.331.7-178.3-56.8-40.9000113.6K52 K53 N57K52-N55 PolarHBondContact O-N 3.47Å; K52-N55 VanDerWaalsContact O-N 3.12Å; K53-N55 PolarHBondContact O-N 3.34Å; N55-N57 PolarHBondContact O-N 2.94Å
56L93.9Very high92.3Very high12 Ų1287.2 Ų87.26%0.06346%0.456CS..PPolyproline II helixtrans-77.2119.3174.6-67.9162.3000109.8L51 L54 Q83 A85 V90 A92L51-L56 HydrophobicContact CB-CB 4.39Å; L51-L56 HydrophobicContact CB-CD1 3.83Å; L51-L56 HydrophobicContact CD2-CD1 3.35Å; L51-L56 HydrophobicContact CG-CD1 4.15Å; L51-L56 WeakPolarHBondContact O-CB 3.02Å; L51-L56 PolarHBondContact O-N 3.16Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CG 4.2Å; L54-L56 HydrophobicContact CD1-CD1 4.4Å; L54-L56 PolarHBondContact O-N 3.36Å; L56-Q83 HydrophobicContact CB-CB 4.11Å; L56-A85 HydrophobicContact CD2-CB 3.74Å; L56-A85 HydrophobicContact CG-CB 4.43Å; L56-V90 HydrophobicContact CD1-CG1 4.45Å; L56-V90 HydrophobicContact CD2-CB 4.07Å; L56-V90 HydrophobicContact CD2-CG1 3.87Å; L56-V90 WeakPolarHBondContact CD2-O 3.49Å; L56-A92 HydrophobicContact CD1-CB 4.44Å
57N92.9Very high92.2Very high118 Ų11884.6 Ų84.663%0.63145%0.448SS*.EExtended strand (participates in β ladder)trans-96.5140.2178.4-71.2-29.6000110.3N55 I59 Q83 A84N55-N57 PolarHBondContact O-N 2.94Å; N57-I59 PolarHBondContact O-N 3.17Å; N57-Q83 CarbonylContact O-C 3.6Å; N57-Q83 VanDerWaalsContact O-CA 3.22Å; N57-Q83 WeakPolarHBondContact O-CA 3.49Å; N57-A84 PolarHBondContact N-O 3.12Å; N57-A84 PolarHBondContact O-N 2.81Å
58T92.4Very high92.1Very high80 Ų8083.7 Ų83.749%0.49144%0.439SS..EExtended strand (participates in β ladder)trans-75125.2176.3-55.30000109.4Q83T58-Q83 PolarHBondContact OG1-NE2 3.42Å
59I92.2Very high92Very high72 Ų7285.2 Ų85.237%0.36945%0.445SS..EExtended strand (participates in β ladder)trans-89.5121.9172.9-59.1173.3000107.7N57 I62 V82 A84N57-I59 PolarHBondContact O-N 3.17Å; I59-I62 HydrophobicContact CB-CD1 3.58Å; I59-I62 HydrophobicContact CB-CG1 4.38Å; I59-I62 HydrophobicContact CD1-CD1 4.3Å; I59-I62 HydrophobicContact CG2-CD1 3.55Å; I59-I62 HydrophobicContact CG2-CG1 3.86Å; I59-V82 PolarHBondContact N-O 3.04Å; I59-A84 HydrophobicContact CD1-CB 3.65Å; I59-A84 HydrophobicContact CG1-CB 4.28Å
60P92.8Very high91.6Very high99 Ų9988.7 Ų88.764%0.64347%0.465SS*.SBendtrans-74.3153.8178.131.2-34.3000111.5I62P60-I62 PolarHBondContact O-N 3.01Å
61T90.9Very high91.4Very high138 Ų13892.1 Ų92.185%0.84748%0.479SS*.  trans57.448.2164.1-36.40000114.8
62I92.9Very high91Very high39 Ų3992.3 Ų92.320%0.249%0.488CS..  trans-87.4124.6171.1-71.4165.7000109.6I59 P60 E64 V65 P80 V82I59-I62 HydrophobicContact CB-CD1 3.58Å; I59-I62 HydrophobicContact CB-CG1 4.38Å; I59-I62 HydrophobicContact CD1-CD1 4.3Å; I59-I62 HydrophobicContact CG2-CD1 3.55Å; I59-I62 HydrophobicContact CG2-CG1 3.86Å; P60-I62 PolarHBondContact O-N 3.01Å; I62-E64 WeakPolarHBondContact CG2-O 3.47Å; I62-V65 HydrophobicContact CG2-CG2 4.1Å; I62-P80 HydrophobicContact CG2-CG 4.06Å; I62-V82 HydrophobicContact CB-CG2 4.43Å; I62-V82 HydrophobicContact CD1-CB 3.46Å; I62-V82 VanDerWaalsContact CD1-CB 3.46Å; I62-V82 HydrophobicContact CD1-CG1 4.18Å; I62-V82 HydrophobicContact CD1-CG2 3.54Å; I62-V82 HydrophobicContact CG2-CG2 4.19Å
63E92.8Very high90.9Very high153 Ų15386.4 Ų86.472%0.71547%0.466SS*.  trans-77.7-40.7179.6-63.4-177.8174.700111.8N79E63-N79 WeakPolarHBondContact O-CA 3.01Å; E63-N79 PolarHBondContact O-N 3.15Å; E63-N79 PolarHBondContact O-OD1 3.48Å
64E91.5Very high90.8Very high72 Ų7278.4 Ų78.434%0.33643%0.431SS..EExtended strand (participates in β ladder)trans-154.1153.3-176.957.1-179.6-154.300113.7I62 N66 H76 F77 Q112I62-E64 WeakPolarHBondContact CG2-O 3.47Å; E64-N66 PolarHBondContact OE1-ND2 3.48Å; E64-H76 IonicContact OE2-CE1 3.91Å; E64-H76 PolarHBondContact OE2-CE1 3.46Å; E64-F77 CarbonylContact C-O 3.58Å; E64-F77 WeakPolarHBondContact CA-O 3.33Å; E64-Q112 PolarHBondContact OE1-NE2 3.03Å; E64-Q112 PolarHBondContact OE1-OE1 3.29Å
65V92.9Very high90.9Very high30 Ų3074.1 Ų74.118%0.18241%0.409CS..EExtended strand (participates in β ladder)trans-129131.2164.9173.70000109.1I62 M67 F77 P80 V82 V93I62-V65 HydrophobicContact CG2-CG2 4.1Å; V65-M67 HydrophobicContact CG1-CE 4.41Å; V65-M67 HydrophobicContact CG1-CG 4.49Å; V65-F77 HydrophobicContact CB-CB 4.24Å; V65-F77 HydrophobicContact CB-CD2 4.32Å; V65-F77 HydrophobicContact CG1-CD2 4.4Å; V65-F77 PolarHBondContact N-O 2.91Å; V65-F77 PolarHBondContact O-N 2.88Å; V65-P80 HydrophobicContact CB-CG 4.04Å; V65-P80 HydrophobicContact CG2-CG 3.59Å; V65-V82 HydrophobicContact CG2-CG2 3.67Å; V65-V93 HydrophobicContact CB-CG1 4.34Å; V65-V93 HydrophobicContact CG1-CG1 4.41Å; V65-V93 HydrophobicContact CG1-CG2 4.13Å; V65-V93 HydrophobicContact CG2-CG1 4.36Å; V65-V93 HydrophobicContact CG2-CG2 4.43Å
66N91.3Very high90.9Very high33 Ų3369.1 Ų69.118%0.17638%0.381CS..EExtended strand (participates in β ladder)trans-118.5122-178.2-67.1-46.1000109.9E64 Y68 M74 H76 M109 Q112E64-N66 PolarHBondContact OE1-ND2 3.48Å; N66-Y68 HydrophobicContact CB-CE2 4.46Å; N66-M74 HydrophobicContact CB-CG 4.47Å; N66-M74 HydrophobicContact CB-SD 3.66Å; N66-H76 PolarHBondContact OD1-ND1 2.81Å; N66-M109 HydrophobicContact CB-CE 4.19Å; N66-M109 WeakPolarHBondContact ND2-CE 3.46Å; N66-Q112 PolarHBondContact ND2-OE1 2.85Å; N66-Q112 VanDerWaalsContact ND2-OE1 3.15Å
67M92.1Very high91Very high80 Ų8069.5 Ų69.539%0.39438%0.383SS..EExtended strand (participates in β ladder)trans-111.4110.1174.4-57.4-178178.600109.8V65 M74 I75 F77 V93V65-M67 HydrophobicContact CG1-CE 4.41Å; V65-M67 HydrophobicContact CG1-CG 4.49Å; M67-M74 CarbonylContact O-C 3.46Å; M67-M74 WeakPolarHBondContact O-CA 3.44Å; M67-M74 WeakPolarHBondContact O-CG 3.27Å; M67-I75 HydrophobicContact CB-CB 4.11Å; M67-I75 HydrophobicContact CB-CG1 4.41Å; M67-I75 PolarHBondContact N-O 2.84Å; M67-I75 PolarHBondContact O-N 2.98Å; M67-I75 HydrophobicContact SD-CD1 4.43Å; M67-F77 HydrophobicContact CE-CE2 3.96Å; M67-F77 HydrophobicContact CG-CE2 4.48Å; M67-F77 HydrophobicContact SD-CE2 4.06Å; M67-V93 HydrophobicContact CE-CB 4.25Å; M67-V93 HydrophobicContact CE-CG2 4.02Å
68Y90.1Very high91Very high66 Ų6670.9 Ų70.926%0.25938%0.383SS..EExtended strand (participates in β ladder)trans-84.1124.5177.2-56.5-70.6000110.6N66 M74 L102 W113 A116N66-Y68 HydrophobicContact CB-CE2 4.46Å; Y68-M74 HydrophobicContact CD1-CB 4.32Å; Y68-M74 HydrophobicContact CD1-CG 3.96Å; Y68-M74 HydrophobicContact CD1-SD 3.76Å; Y68-M74 HydrophobicContact CE1-CG 4.11Å; Y68-M74 HydrophobicContact CE1-SD 3.27Å; Y68-M74 WeakPolarHBondContact CE1-SD 3.41Å; Y68-L102 HydrophobicContact CD1-CD2 3.77Å; Y68-L102 HydrophobicContact CE1-CD2 3.93Å; Y68-W113 AromaticContact CD1-CD1 3.48Å; Y68-W113 VanDerWaalsContact CD1-CD1 3.48Å; Y68-W113 HydrophobicContact CD1-CG 4.45Å; Y68-W113 HydrophobicContact CE1-CB 4.01Å; Y68-W113 AromaticContact CE1-CD1 3.54Å; Y68-W113 HydrophobicContact CE1-CG 4.13Å; Y68-W113 AromaticContact CG-CD1 3.82Å; Y68-W113 AromaticContact CZ-CD1 3.99Å; Y68-W113 PolarHBondContact OH-N 3.43Å; Y68-A116 HydrophobicContact CD2-CB 3.98Å; Y68-A116 HydrophobicContact CE2-CB 3.69Å
69K89.1Confident91.1Very high77 Ų7772.6 Ų72.634%0.33539%0.389SS..  trans-92.5154.2174-64.5-176.6-179.2179.70110.6D71 G72 T73K69-D71 PolarHBondContact O-N 2.69Å; K69-G72 PolarHBondContact O-N 3.29Å; K69-T73 WeakPolarHBondContact CB-O 3.05Å; K69-T73 WeakPolarHBondContact CD-OG1 3.39Å; K69-T73 PolarHBondContact N-O 3.01Å
70P85.9Confident91.2Very high130 Ų13069.6 Ų69.684%0.84437%0.374SS*.THydrogen-bonded Turntrans-63.1-23.7175.126.2-34.9000113.2G72P70-G72 PolarHBondContact O-N 2.9Å; P70-G72 VanDerWaalsContact O-N 3.12Å
71D87.5Confident91.3Very high133 Ų13369.6 Ų69.671%0.71136%0.364SS*.THydrogen-bonded Turntrans-73.82.4-178.6-48.4-33.4000114K69K69-D71 PolarHBondContact O-N 2.69Å
72G84.5Confident91.5Very high32 Ų3263.2 Ų63.233%0.3333%0.325SS..SBendtrans79.416.5-175.700000114.4K69 P70 L102K69-G72 PolarHBondContact O-N 3.29Å; P70-G72 PolarHBondContact O-N 2.9Å; P70-G72 VanDerWaalsContact O-N 3.12Å; G72-L102 VanDerWaalsContact O-CG 3.31Å; G72-L102 WeakPolarHBondContact O-CG 3.17Å; G72-L102 PolarHBondContact O-N 3.46Å
73T88.8Confident91.6Very high45 Ų4562 Ų6228%0.27632%0.319SS..EExtended strand (participates in β ladder)trans-109.5158.3173.5560000111.1K69K69-T73 WeakPolarHBondContact CB-O 3.05Å; K69-T73 WeakPolarHBondContact CD-OG1 3.39Å; K69-T73 PolarHBondContact N-O 3.01Å
74M89.6Confident91.6Very high2 Ų254.8 Ų54.81%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-127.4140.4178.9-173.2175.862.700111.1N66 M67 Y68 H76 K100 L102 L105 M109N66-M74 HydrophobicContact CB-CG 4.47Å; N66-M74 HydrophobicContact CB-SD 3.66Å; M67-M74 CarbonylContact O-C 3.46Å; M67-M74 WeakPolarHBondContact O-CA 3.44Å; M67-M74 WeakPolarHBondContact O-CG 3.27Å; Y68-M74 HydrophobicContact CD1-CB 4.32Å; Y68-M74 HydrophobicContact CD1-CG 3.96Å; Y68-M74 HydrophobicContact CD1-SD 3.76Å; Y68-M74 HydrophobicContact CE1-CG 4.11Å; Y68-M74 HydrophobicContact CE1-SD 3.27Å; Y68-M74 WeakPolarHBondContact CE1-SD 3.41Å; M74-H76 HydrophobicContact CE-CB 4.23Å; M74-K100 PolarHBondContact N-O 3.3Å; M74-K100 PolarHBondContact O-N 3.43Å; M74-L102 HydrophobicContact CB-CD2 4.35Å; M74-L105 HydrophobicContact CE-CD1 3.08Å; M74-M109 HydrophobicContact CE-CE 3.7Å; M74-M109 HydrophobicContact SD-CE 3.75Å
75I93.4Very high91.7Very high22 Ų2251.9 Ų51.911%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-94.9114.8163.4-42.2-178.3000107.8M67 F77 A97 E98 Y99M67-I75 HydrophobicContact CB-CB 4.11Å; M67-I75 HydrophobicContact CB-CG1 4.41Å; M67-I75 PolarHBondContact N-O 2.84Å; M67-I75 PolarHBondContact O-N 2.98Å; M67-I75 HydrophobicContact SD-CD1 4.43Å; I75-F77 HydrophobicContact CB-CE2 4.21Å; I75-F77 HydrophobicContact CG2-CD2 4.21Å; I75-F77 HydrophobicContact CG2-CE2 3.5Å; I75-F77 VanDerWaalsContact CG2-CE2 3.5Å; I75-F77 HydrophobicContact CG2-CZ 3.82Å; I75-A97 HydrophobicContact CG2-CB 3.74Å; I75-E98 WeakPolarHBondContact CA-O 3.25Å; I75-Y99 HydrophobicContact CD1-CE1 3.84Å; I75-Y99 HydrophobicContact CG1-CD1 3.99Å; I75-Y99 HydrophobicContact CG1-CE1 3.79Å; I75-Y99 HydrophobicContact CG2-CE1 4.35Å
76H92.4Very high91.4Very high18 Ų1854.3 Ų54.38%0.08329%0.29CS..EExtended strand (participates in β ladder)trans-103132.8177.1178.371.1000110E64 N66 M74 E98E64-H76 IonicContact OE2-CE1 3.91Å; E64-H76 PolarHBondContact OE2-CE1 3.46Å; N66-H76 PolarHBondContact OD1-ND1 2.81Å; M74-H76 HydrophobicContact CE-CB 4.23Å; H76-E98 HydrophobicContact CB-CB 4.46Å; H76-E98 IonicContact CD2-OE2 3.48Å; H76-E98 PolarHBondContact N-O 3.28Å; H76-E98 PolarHBondContact O-N 3.32Å
77F94.9Very high91.3Very high20 Ų2061.7 Ų61.79%0.08832%0.323CS..EExtended strand (participates in β ladder)trans-118122.2171.6-64.6-94.5000108.8E64 V65 M67 I75 P80 V93 Q96 A97E64-F77 CarbonylContact C-O 3.58Å; E64-F77 WeakPolarHBondContact CA-O 3.33Å; V65-F77 HydrophobicContact CB-CB 4.24Å; V65-F77 HydrophobicContact CB-CD2 4.32Å; V65-F77 HydrophobicContact CG1-CD2 4.4Å; V65-F77 PolarHBondContact N-O 2.91Å; V65-F77 PolarHBondContact O-N 2.88Å; M67-F77 HydrophobicContact CE-CE2 3.96Å; M67-F77 HydrophobicContact CG-CE2 4.48Å; M67-F77 HydrophobicContact SD-CE2 4.06Å; I75-F77 HydrophobicContact CB-CE2 4.21Å; I75-F77 HydrophobicContact CG2-CD2 4.21Å; I75-F77 HydrophobicContact CG2-CE2 3.5Å; I75-F77 VanDerWaalsContact CG2-CE2 3.5Å; I75-F77 HydrophobicContact CG2-CZ 3.82Å; F77-P80 HydrophobicContact CB-CB 3.94Å; F77-P80 HydrophobicContact CB-CG 3.89Å; F77-V93 HydrophobicContact CD1-CG1 4.17Å; F77-V93 HydrophobicContact CD2-CG1 4.19Å; F77-V93 HydrophobicContact CE1-CG1 4.36Å; F77-V93 HydrophobicContact CE2-CG1 4.39Å; F77-V93 HydrophobicContact CG-CG1 4.08Å; F77-V93 HydrophobicContact CZ-CG1 4.47Å; F77-Q96 VanDerWaalsContact CD1-O 3.25Å; F77-Q96 WeakPolarHBondContact CD1-O 3.44Å; F77-A97 HydrophobicContact CD1-CB 4.28Å; F77-A97 HydrophobicContact CE1-CB 3.55Å; F77-A97 HydrophobicContact CZ-CB 3.71Å
78K93Very high91.2Very high147 Ų14760.9 Ų60.964%0.63933%0.329SS*.EExtended strand (participates in β ladder)trans-93.3128.8171.9-173.2174.4-177.8177.20110.3P80K78-P80 VanDerWaalsContact C-CD 3.48Å
79N94.2Very high91.2Very high117 Ų11764 Ų6463%0.62635%0.35SS*.SBendtrans4751.4-177.8-59.320.8000114.2E63E63-N79 WeakPolarHBondContact O-CA 3.01Å; E63-N79 PolarHBondContact O-N 3.15Å; E63-N79 PolarHBondContact O-OD1 3.48Å
80P95.4Very high91.3Very high8 Ų863.4 Ų63.45%0.05235%0.353CS..  trans-73.2154.918030.4-33.1000112.4I62 V65 F77 K78 V82 V93I62-P80 HydrophobicContact CG2-CG 4.06Å; V65-P80 HydrophobicContact CB-CG 4.04Å; V65-P80 HydrophobicContact CG2-CG 3.59Å; F77-P80 HydrophobicContact CB-CB 3.94Å; F77-P80 HydrophobicContact CB-CG 3.89Å; K78-P80 VanDerWaalsContact C-CD 3.48Å; P80-V82 HydrophobicContact CB-CG2 4.18Å; P80-V82 HydrophobicContact CG-CG2 3.94Å; P80-V93 HydrophobicContact CB-CG1 3.84Å; P80-V93 HydrophobicContact CG-CG1 4.42Å
81K94.1Very high91.7Very high99 Ų9963.3 Ų63.343%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-87111.9163.9173.9-173.3-178.9-1710108.2T94K81-T94 WeakPolarHBondContact CB-OG1 3.46Å; K81-T94 PolarHBondContact N-O 3.19Å; K81-T94 PolarHBondContact O-N 2.78Å; K81-T94 PolarHBondContact O-OG1 3.2Å
82V94.7Very high92Very high5 Ų557.9 Ų57.93%0.0331%0.313CS..EExtended strand (participates in β ladder)trans-109.9136-178.9-171.50000110.5I59 I62 V65 P80 A92 V93I59-V82 PolarHBondContact N-O 3.04Å; I62-V82 HydrophobicContact CB-CG2 4.43Å; I62-V82 HydrophobicContact CD1-CB 3.46Å; I62-V82 VanDerWaalsContact CD1-CB 3.46Å; I62-V82 HydrophobicContact CD1-CG1 4.18Å; I62-V82 HydrophobicContact CD1-CG2 3.54Å; I62-V82 HydrophobicContact CG2-CG2 4.19Å; V65-V82 HydrophobicContact CG2-CG2 3.67Å; P80-V82 HydrophobicContact CB-CG2 4.18Å; P80-V82 HydrophobicContact CG-CG2 3.94Å; V82-A92 WeakPolarHBondContact CA-O 3.4Å; V82-V93 HydrophobicContact CG1-CG2 4.23Å; V82-V93 HydrophobicContact CG2-CG1 4.44Å; V82-V93 HydrophobicContact CG2-CG2 4.35Å
83Q94.8Very high92.5Very high13 Ų1358.2 Ų58.26%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-117.7133167.7-59.2178.1-23.700108.1L56 N57 T58 A92L56-Q83 HydrophobicContact CB-CB 4.11Å; N57-Q83 CarbonylContact O-C 3.6Å; N57-Q83 VanDerWaalsContact O-CA 3.22Å; N57-Q83 WeakPolarHBondContact O-CA 3.49Å; T58-Q83 PolarHBondContact OG1-NE2 3.42Å; Q83-A92 HydrophobicContact CB-CB 4.34Å; Q83-A92 PolarHBondContact N-O 2.85Å; Q83-A92 PolarHBondContact O-N 3.38Å
84A93.9Very high92.7Very high2 Ų259 Ų592%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-140148-173.500000111.5N57 I59 V90 F91N57-A84 PolarHBondContact N-O 3.12Å; N57-A84 PolarHBondContact O-N 2.81Å; I59-A84 HydrophobicContact CD1-CB 3.65Å; I59-A84 HydrophobicContact CG1-CB 4.28Å; A84-V90 WeakPolarHBondContact CA-O 3.5Å; A84-F91 HydrophobicContact CB-CD1 3.45Å; A84-F91 VanDerWaalsContact CB-CD1 3.45Å; A84-F91 HydrophobicContact CB-CE1 3.65Å; A84-F91 HydrophobicContact CB-CG 4.41Å
85A93Very high92.8Very high10 Ų1061.2 Ų61.28%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-122.987.4167.400000106.2L56 Q87 A88 N89 V90L56-A85 HydrophobicContact CD2-CB 3.74Å; L56-A85 HydrophobicContact CG-CB 4.43Å; A85-Q87 PolarHBondContact O-N 3.37Å; A85-Q87 VanDerWaalsContact O-N 3.14Å; A85-A88 HydrophobicContact CB-CB 4.14Å; A85-A88 PolarHBondContact O-N 3.26Å; A85-N89 PolarHBondContact O-N 2.88Å; A85-N89 VanDerWaalsContact O-N 3.1Å; A85-V90 PolarHBondContact N-O 3.08Å; A85-V90 PolarHBondContact O-N 2.92Å
86P87Confident92.9Very high82 Ų8268.1 Ų68.153%0.53237%0.368SS..G310 helixtrans-57.5-31.4-175.6-2634.9000113.1A88 N89P86-A88 VanDerWaalsContact C-N 3.3Å; P86-A88 PolarHBondContact O-N 2.9Å; P86-N89 PolarHBondContact O-N 2.86Å; P86-N89 PolarHBondContact O-OD1 2.8Å
87Q89Confident92.9Very high188 Ų18869.4 Ų69.488%0.87938%0.383SS*.G310 helixtrans-67.1-30.8177.8-59.4-58.6-34.700113.1A85A85-Q87 PolarHBondContact O-N 3.37Å; A85-Q87 VanDerWaalsContact O-N 3.14Å
88A89.6Confident92.8Very high62 Ų6272.2 Ų72.251%0.51240%0.396SS..G310 helixtrans-100.11-179.400000112.6A85 P86 V90A85-A88 HydrophobicContact CB-CB 4.14Å; A85-A88 PolarHBondContact O-N 3.26Å; P86-A88 VanDerWaalsContact C-N 3.3Å; P86-A88 PolarHBondContact O-N 2.9Å; A88-V90 HydrophobicContact CB-CG2 4.06Å; A88-V90 WeakPolarHBondContact O-CG2 3.32Å; A88-V90 PolarHBondContact O-N 2.86Å
89N89.5Confident92.8Very high132 Ų13273 Ų7371%0.70640%0.396SS*.THydrogen-bonded Turntrans54.628.9-172.9-58.8-47.1000114A85 P86A85-N89 PolarHBondContact O-N 2.88Å; A85-N89 VanDerWaalsContact O-N 3.1Å; P86-N89 PolarHBondContact O-N 2.86Å; P86-N89 PolarHBondContact O-OD1 2.8Å
90V92.4Very high92.5Very high64 Ų6470.1 Ų70.139%0.38838%0.378SS..EExtended strand (participates in β ladder)trans-105.1129.2-179.9-175.80000110.5L56 A84 A85 A88L56-V90 HydrophobicContact CD1-CG1 4.45Å; L56-V90 HydrophobicContact CD2-CB 4.07Å; L56-V90 HydrophobicContact CD2-CG1 3.87Å; L56-V90 WeakPolarHBondContact CD2-O 3.49Å; A84-V90 WeakPolarHBondContact CA-O 3.5Å; A85-V90 PolarHBondContact N-O 3.08Å; A85-V90 PolarHBondContact O-N 2.92Å; A88-V90 HydrophobicContact CB-CG2 4.06Å; A88-V90 WeakPolarHBondContact O-CG2 3.32Å; A88-V90 PolarHBondContact O-N 2.86Å
91F93.6Very high92.1Very high129 Ų12973.4 Ų73.457%0.56640%0.398SS*.EExtended strand (participates in β ladder)trans-127.4130176.6-60.6-91.3000110A84A84-F91 HydrophobicContact CB-CD1 3.45Å; A84-F91 VanDerWaalsContact CB-CD1 3.45Å; A84-F91 HydrophobicContact CB-CE1 3.65Å; A84-F91 HydrophobicContact CB-CG 4.41Å
92A94.1Very high91.4Very high19 Ų1970.2 Ų70.216%0.15739%0.385CS..EExtended strand (participates in β ladder)trans-113117.7171.700000108.6L51 L56 V82 Q83L51-A92 HydrophobicContact CD1-CB 4.32Å; L51-A92 HydrophobicContact CD2-CB 4.09Å; L56-A92 HydrophobicContact CD1-CB 4.44Å; V82-A92 WeakPolarHBondContact CA-O 3.4Å; Q83-A92 HydrophobicContact CB-CB 4.34Å; Q83-A92 PolarHBondContact N-O 2.85Å; Q83-A92 PolarHBondContact O-N 3.38Å
93V94.6Very high90.7Very high38 Ų3876.3 Ų76.323%0.2342%0.418CS..EExtended strand (participates in β ladder)trans-113.1126.2-176-178.20000108.4V65 M67 F77 P80 V82V65-V93 HydrophobicContact CB-CG1 4.34Å; V65-V93 HydrophobicContact CG1-CG1 4.41Å; V65-V93 HydrophobicContact CG1-CG2 4.13Å; V65-V93 HydrophobicContact CG2-CG1 4.36Å; V65-V93 HydrophobicContact CG2-CG2 4.43Å; M67-V93 HydrophobicContact CE-CB 4.25Å; M67-V93 HydrophobicContact CE-CG2 4.02Å; F77-V93 HydrophobicContact CD1-CG1 4.17Å; F77-V93 HydrophobicContact CD2-CG1 4.19Å; F77-V93 HydrophobicContact CE1-CG1 4.36Å; F77-V93 HydrophobicContact CE2-CG1 4.39Å; F77-V93 HydrophobicContact CG-CG1 4.08Å; F77-V93 HydrophobicContact CZ-CG1 4.47Å; P80-V93 HydrophobicContact CB-CG1 3.84Å; P80-V93 HydrophobicContact CG-CG1 4.42Å; V82-V93 HydrophobicContact CG1-CG2 4.23Å; V82-V93 HydrophobicContact CG2-CG1 4.44Å; V82-V93 HydrophobicContact CG2-CG2 4.35Å
94T92.7Very high90Very high61 Ų6181.2 Ų81.237%0.37444%0.444SS..EExtended strand (participates in β ladder)trans-123.1122.5176.4550000109.3K81K81-T94 WeakPolarHBondContact CB-OG1 3.46Å; K81-T94 PolarHBondContact N-O 3.19Å; K81-T94 PolarHBondContact O-N 2.78Å; K81-T94 PolarHBondContact O-OG1 3.2Å
95G93Very high88.8Confident49 Ų4983 Ų8351%0.50545%0.454SS..SBendtrans170.3178.6-175.300000112.2
96Q94.2Very high88Confident167 Ų16787 Ų8778%0.7847%0.469SS*.  trans-78125.5173-67.6-175.6-16.800109.8F77F77-Q96 VanDerWaalsContact CD1-O 3.25Å; F77-Q96 WeakPolarHBondContact CD1-O 3.44Å
97A94Very high87.4Confident46 Ų4687.8 Ų87.838%0.3847%0.474SS..EExtended strand (participates in β ladder)trans-93.3122.917900000110.4I75 F77I75-A97 HydrophobicContact CG2-CB 3.74Å; F77-A97 HydrophobicContact CD1-CB 4.28Å; F77-A97 HydrophobicContact CE1-CB 3.55Å; F77-A97 HydrophobicContact CZ-CB 3.71Å
98E92Very high86.8Confident78 Ų7885.4 Ų85.436%0.36447%0.467SS..EExtended strand (participates in β ladder)trans-105.6125.5170.9-64.9-178.9-177.300109.6I75 H76 K100I75-E98 WeakPolarHBondContact CA-O 3.25Å; H76-E98 HydrophobicContact CB-CB 4.46Å; H76-E98 IonicContact CD2-OE2 3.48Å; H76-E98 PolarHBondContact N-O 3.28Å; H76-E98 PolarHBondContact O-N 3.32Å; E98-K100 WeakPolarHBondContact OE2-CE 3.04Å; E98-K100 IonicContact OE2-NZ 3.89Å; E98-K100 PolarHBondContact OE2-NZ 3.33Å
99Y92.6Very high86.3Confident165 Ų16583.5 Ų83.565%0.64745%0.448SS*.EExtended strand (participates in β ladder)trans-92.1113.7175.3-62-84.3000109I75I75-Y99 HydrophobicContact CD1-CE1 3.84Å; I75-Y99 HydrophobicContact CG1-CD1 3.99Å; I75-Y99 HydrophobicContact CG1-CE1 3.79Å; I75-Y99 HydrophobicContact CG2-CE1 4.35Å
100K89.1Confident85.8Confident56 Ų5679.6 Ų79.624%0.24343%0.427CS..EExtended strand (participates in β ladder)trans-124.5151.2-180-68.6-179.9178.8166.80110.3M74 E98 L105M74-K100 PolarHBondContact N-O 3.3Å; M74-K100 PolarHBondContact O-N 3.43Å; E98-K100 WeakPolarHBondContact OE2-CE 3.04Å; E98-K100 IonicContact OE2-NZ 3.89Å; E98-K100 PolarHBondContact OE2-NZ 3.33Å; K100-L105 HydrophobicContact CB-CD1 3.9Å; K100-L105 HydrophobicContact CD-CD1 3.74Å; K100-L105 HydrophobicContact CD-CD2 3.95Å; K100-L105 HydrophobicContact CD-CG 4.04Å; K100-L105 HydrophobicContact CG-CD1 4.45Å
101T87.2Confident85.4Confident76 Ų7682 Ų8247%0.46644%0.438SS..EExtended strand (participates in β ladder)trans-78.6148.4168.762.50000108.6N103 D104T101-N103 PolarHBondContact O-N 2.95Å; T101-N103 VanDerWaalsContact O-N 3.16Å; T101-D104 PolarHBondContact O-N 2.85Å
102L78.1Confident85.1Confident33 Ų3379.4 Ų79.417%0.17343%0.428CS..G310 helixtrans-53.6-37.7178.9-72.8170.5000111.5Y68 G72 M74 D104 L105 F106 W113Y68-L102 HydrophobicContact CD1-CD2 3.77Å; Y68-L102 HydrophobicContact CE1-CD2 3.93Å; G72-L102 VanDerWaalsContact O-CG 3.31Å; G72-L102 WeakPolarHBondContact O-CG 3.17Å; G72-L102 PolarHBondContact O-N 3.46Å; M74-L102 HydrophobicContact CB-CD2 4.35Å; L102-D104 VanDerWaalsContact C-N 3.28Å; L102-D104 PolarHBondContact O-N 3.46Å; L102-L105 PolarHBondContact O-N 3.16Å; L102-F106 VanDerWaalsContact C-CE2 3.42Å; L102-F106 HydrophobicContact CB-CE2 4.34Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 WeakPolarHBondContact O-CE2 3.49Å; L102-W113 HydrophobicContact CD1-CZ2 4.43Å
103N79.7Confident84.6Confident133 Ų13382.6 Ų82.671%0.71144%0.435SS*.G310 helixtrans-61.7-27.8-176.7-66.7-15.5000114.8T101 L105 F106T101-N103 PolarHBondContact O-N 2.95Å; T101-N103 VanDerWaalsContact O-N 3.16Å; N103-L105 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 3.42Å; N103-F106 VanDerWaalsContact CA-CD2 3.44Å; N103-F106 WeakPolarHBondContact O-CD2 3.43Å
104D79.9Confident84.2Confident115 Ų11585.6 Ų85.662%0.61545%0.447SS*.G310 helixtrans-79.2-13.6-173.5-166.232.7000113.4T101 L102T101-D104 PolarHBondContact O-N 2.85Å; L102-D104 VanDerWaalsContact C-N 3.28Å; L102-D104 PolarHBondContact O-N 3.46Å
105L70.2Confident84Confident41 Ų4185.9 Ų85.922%0.21545%0.449CS..G310 helixtrans-115.513.4-173.1-65.3161.3000113.7M74 K100 L102 N103 M109M74-L105 HydrophobicContact CE-CD1 3.08Å; K100-L105 HydrophobicContact CB-CD1 3.9Å; K100-L105 HydrophobicContact CD-CD1 3.74Å; K100-L105 HydrophobicContact CD-CD2 3.95Å; K100-L105 HydrophobicContact CD-CG 4.04Å; K100-L105 HydrophobicContact CG-CD1 4.45Å; L102-L105 PolarHBondContact O-N 3.16Å; N103-L105 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 3.42Å; L105-M109 HydrophobicContact CB-CB 4.09Å; L105-M109 HydrophobicContact CB-CG 3.57Å; L105-M109 WeakPolarHBondContact O-CB 3.41Å; L105-M109 WeakPolarHBondContact O-CG 3.26Å; L105-M109 PolarHBondContact O-N 3.27Å
106F76.2Confident83.6Confident94 Ų9484.8 Ų84.841%0.41244%0.435SS..THydrogen-bonded Turntrans-72.4142.9170.5-76.1-96.2000110.4L102 N103 L110L102-F106 VanDerWaalsContact C-CE2 3.42Å; L102-F106 HydrophobicContact CB-CE2 4.34Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 WeakPolarHBondContact O-CE2 3.49Å; N103-F106 VanDerWaalsContact CA-CD2 3.44Å; N103-F106 WeakPolarHBondContact O-CD2 3.43Å; F106-L110 HydrophobicContact CD1-CB 3.96Å; F106-L110 HydrophobicContact CD1-CD2 4.24Å; F106-L110 HydrophobicContact CD1-CG 4.47Å; F106-L110 HydrophobicContact CE1-CB 3.85Å; F106-L110 HydrophobicContact CE1-CD1 3.66Å; F106-L110 HydrophobicContact CE1-CD2 3.95Å; F106-L110 HydrophobicContact CE1-CG 4.01Å; F106-L110 HydrophobicContact CZ-CD1 4.32Å
107P74.5Confident83.3Confident98 Ų9883.3 Ų83.364%0.63643%0.426SS*.THydrogen-bonded Turncis-97.8-21.212.833.7-33.5000115.8M109 L110P107-M109 VanDerWaalsContact C-N 3.27Å; P107-M109 PolarHBondContact O-N 3.2Å; P107-M109 VanDerWaalsContact O-N 3.17Å; P107-L110 WeakPolarHBondContact O-CB 3.49Å; P107-L110 PolarHBondContact O-N 3.43Å; P107-L110 VanDerWaalsContact O-N 3.16Å
108N75.7Confident83Confident137 Ų13786 Ų8673%0.73343%0.433SS*.Hα-helixtrans-63.4-29.4-167.5-66.8-14.2000113.9
109M78.2Confident82.8Confident22 Ų2290.4 Ų90.411%0.10845%0.446CS..Hα-helixtrans-79.8-14-178.7-67.4-56.9-72.600114.6N66 M74 L105 P107 Q112 W113N66-M109 HydrophobicContact CB-CE 4.19Å; N66-M109 WeakPolarHBondContact ND2-CE 3.46Å; M74-M109 HydrophobicContact CE-CE 3.7Å; M74-M109 HydrophobicContact SD-CE 3.75Å; L105-M109 HydrophobicContact CB-CB 4.09Å; L105-M109 HydrophobicContact CB-CG 3.57Å; L105-M109 WeakPolarHBondContact O-CB 3.41Å; L105-M109 WeakPolarHBondContact O-CG 3.26Å; L105-M109 PolarHBondContact O-N 3.27Å; P107-M109 VanDerWaalsContact C-N 3.27Å; P107-M109 PolarHBondContact O-N 3.2Å; P107-M109 VanDerWaalsContact O-N 3.17Å; M109-Q112 PolarHBondContact O-N 2.69Å; M109-W113 WeakPolarHBondContact O-CB 3.16Å; M109-W113 PolarHBondContact O-N 3.41Å
110L79.1Confident82.4Confident51 Ų5188 Ų8827%0.26744%0.444SS..Hα-helixtrans-63.4-46.7-177.6-18053.4000111.4F106 P107 Q112 W113 E114F106-L110 HydrophobicContact CD1-CB 3.96Å; F106-L110 HydrophobicContact CD1-CD2 4.24Å; F106-L110 HydrophobicContact CD1-CG 4.47Å; F106-L110 HydrophobicContact CE1-CB 3.85Å; F106-L110 HydrophobicContact CE1-CD1 3.66Å; F106-L110 HydrophobicContact CE1-CD2 3.95Å; F106-L110 HydrophobicContact CE1-CG 4.01Å; F106-L110 HydrophobicContact CZ-CD1 4.32Å; P107-L110 WeakPolarHBondContact O-CB 3.49Å; P107-L110 PolarHBondContact O-N 3.43Å; P107-L110 VanDerWaalsContact O-N 3.16Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 2.85Å; L110-W113 HydrophobicContact CD1-CE3 3.89Å; L110-W113 HydrophobicContact CD1-CZ3 4.33Å; L110-W113 PolarHBondContact O-N 2.82Å; L110-W113 VanDerWaalsContact O-N 3.13Å; L110-E114 HydrophobicContact CD1-CG 4.06Å; L110-E114 WeakPolarHBondContact CD1-OE1 3.46Å; L110-E114 WeakPolarHBondContact O-CG 3.41Å; L110-E114 PolarHBondContact O-N 3.04Å
111N85.2Confident82.3Confident113 Ų11387.5 Ų87.560%0.60445%0.45SS*.Hα-helixtrans-62-40.1179.5-66.2-7.5000111.7T115N111-T115 VanDerWaalsContact O-CG2 3.3Å; N111-T115 WeakPolarHBondContact O-CG2 3.09Å; N111-T115 PolarHBondContact O-N 3.12Å; N111-T115 VanDerWaalsContact O-N 3.15Å; N111-T115 PolarHBondContact O-OG1 3.17Å
112Q86.9Confident82.3Confident76 Ų7689.5 Ų89.536%0.35545%0.453SS..Hα-helixtrans-66.5-41175.7-66.3-171.10.900111.5E64 N66 M109 L110 T115 A116E64-Q112 PolarHBondContact OE1-NE2 3.03Å; E64-Q112 PolarHBondContact OE1-OE1 3.29Å; N66-Q112 PolarHBondContact ND2-OE1 2.85Å; N66-Q112 VanDerWaalsContact ND2-OE1 3.15Å; M109-Q112 PolarHBondContact O-N 2.69Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 2.85Å; Q112-T115 WeakPolarHBondContact CA-OG1 3.43Å; Q112-T115 PolarHBondContact O-OG1 3.37Å; Q112-A116 VanDerWaalsContact O-CB 3.29Å; Q112-A116 WeakPolarHBondContact O-CB 3.37Å; Q112-A116 PolarHBondContact O-N 3.43Å
113W84.2Confident82.5Confident85 Ų8593.3 Ų93.332%0.32247%0.471SS..Hα-helixtrans-67-42.9179.3179.667.3000112.6Y68 L102 M109 L110 A116 K117Y68-W113 AromaticContact CD1-CD1 3.48Å; Y68-W113 VanDerWaalsContact CD1-CD1 3.48Å; Y68-W113 HydrophobicContact CD1-CG 4.45Å; Y68-W113 HydrophobicContact CE1-CB 4.01Å; Y68-W113 AromaticContact CE1-CD1 3.54Å; Y68-W113 HydrophobicContact CE1-CG 4.13Å; Y68-W113 AromaticContact CG-CD1 3.82Å; Y68-W113 AromaticContact CZ-CD1 3.99Å; Y68-W113 PolarHBondContact OH-N 3.43Å; L102-W113 HydrophobicContact CD1-CZ2 4.43Å; M109-W113 WeakPolarHBondContact O-CB 3.16Å; M109-W113 PolarHBondContact O-N 3.41Å; L110-W113 HydrophobicContact CD1-CE3 3.89Å; L110-W113 HydrophobicContact CD1-CZ3 4.33Å; L110-W113 PolarHBondContact O-N 2.82Å; L110-W113 VanDerWaalsContact O-N 3.13Å; W113-A116 PolarHBondContact O-N 3.21Å; W113-K117 PolarHBondContact O-N 3.15Å
114E85.3Confident82.7Confident102 Ų10291.3 Ų91.348%0.47746%0.461SS..Hα-helixtrans-61.8-45.4176.3-73.5177-177.900111.7L110 A116 K117 L118L110-E114 HydrophobicContact CD1-CG 4.06Å; L110-E114 WeakPolarHBondContact CD1-OE1 3.46Å; L110-E114 WeakPolarHBondContact O-CG 3.41Å; L110-E114 PolarHBondContact O-N 3.04Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 3.23Å; E114-K117 PolarHBondContact O-N 3.28Å; E114-L118 PolarHBondContact O-N 2.97Å
115T88.2Confident82.8Confident67 Ų6792 Ų9241%0.41146%0.46SS..Hα-helixtrans-65.3-36176560000112.1N111 Q112 L118 R119N111-T115 VanDerWaalsContact O-CG2 3.3Å; N111-T115 WeakPolarHBondContact O-CG2 3.09Å; N111-T115 PolarHBondContact O-N 3.12Å; N111-T115 VanDerWaalsContact O-N 3.15Å; N111-T115 PolarHBondContact O-OG1 3.17Å; Q112-T115 WeakPolarHBondContact CA-OG1 3.43Å; Q112-T115 PolarHBondContact O-OG1 3.37Å; T115-L118 PolarHBondContact O-N 3.25Å; T115-R119 WeakPolarHBondContact O-CG 3.45Å; T115-R119 PolarHBondContact O-N 2.92Å
116A86.1Confident82.9Confident26 Ų2695.2 Ų95.222%0.21548%0.477CS..Hα-helixtrans-65.1-44.2174.100000112Y68 Q112 W113 E114 L118 R119 L120Y68-A116 HydrophobicContact CD2-CB 3.98Å; Y68-A116 HydrophobicContact CE2-CB 3.69Å; Q112-A116 VanDerWaalsContact O-CB 3.29Å; Q112-A116 WeakPolarHBondContact O-CB 3.37Å; Q112-A116 PolarHBondContact O-N 3.43Å; W113-A116 PolarHBondContact O-N 3.21Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 3.23Å; A116-L118 VanDerWaalsContact C-N 3.31Å; A116-L118 PolarHBondContact O-N 3.06Å; A116-R119 PolarHBondContact O-N 3.42Å; A116-L120 PolarHBondContact O-N 2.97Å
117K86.5Confident82.4Confident136 Ų13694 Ų9459%0.59148%0.481SS*.Hα-helixtrans-60-42.1176.1-173.2179.4179.3-177.80111.4W113 E114 L120 A121W113-K117 PolarHBondContact O-N 3.15Å; E114-K117 PolarHBondContact O-N 3.28Å; K117-L120 PolarHBondContact O-N 3.28Å; K117-A121 PolarHBondContact O-N 3.13Å
118L88.5Confident81.9Confident101 Ų10196 Ų9653%0.52948%0.479SS..Hα-helixtrans-65.4-41.4176.7-175.561.7000112.3E114 T115 A116 L120 A121 K122E114-L118 PolarHBondContact O-N 2.97Å; T115-L118 PolarHBondContact O-N 3.25Å; A116-L118 VanDerWaalsContact C-N 3.31Å; A116-L118 PolarHBondContact O-N 3.06Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-A121 PolarHBondContact O-N 3.16Å; L118-K122 WeakPolarHBondContact O-CG 3.35Å; L118-K122 PolarHBondContact O-N 3.47Å; L118-K122 VanDerWaalsContact O-N 3.15Å
119R86.7Confident80.9Confident171 Ų17194.2 Ų94.265%0.64547%0.473SS*.Hα-helixtrans-62.5-41.5175-74.3176.2-171.8151.63.3111.8T115 A116 K122 M123T115-R119 WeakPolarHBondContact O-CG 3.45Å; T115-R119 PolarHBondContact O-N 2.92Å; A116-R119 PolarHBondContact O-N 3.42Å; R119-K122 PolarHBondContact O-N 3.18Å; R119-M123 PolarHBondContact O-N 2.68Å
120L85.1Confident79.7Confident115 Ų11596.9 Ų96.960%0.60249%0.494SS*.Hα-helixtrans-64.5-42.4177.7-176.562.8000112A116 K117 L118 K122 M123 N124A116-L120 PolarHBondContact O-N 2.97Å; K117-L120 PolarHBondContact O-N 3.28Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 3.38Å; L120-M123 HydrophobicContact CD1-CE 4.48Å; L120-M123 PolarHBondContact O-N 3.31Å; L120-N124 PolarHBondContact O-N 3.22Å
121A86.8Confident78.2Confident45 Ų45101.2 Ų101.237%0.37252%0.517SS..Hα-helixtrans-58.5-47.5176.100000111.6K117 L118 M123 N124 E125K117-A121 PolarHBondContact O-N 3.13Å; L118-A121 PolarHBondContact O-N 3.16Å; A121-M123 PolarHBondContact O-N 3.44Å; A121-N124 PolarHBondContact O-N 3.37Å; A121-E125 WeakPolarHBondContact O-CG 3.39Å; A121-E125 PolarHBondContact O-N 2.97Å
122K88.2Confident76.2Confident118 Ų118100.4 Ų100.451%0.51352%0.521SS..Hα-helixtrans-60.7-45.7176.9-68.8179.6-179.7-172.80112.5L118 R119 L120 N124 E125 N126L118-K122 WeakPolarHBondContact O-CG 3.35Å; L118-K122 PolarHBondContact O-N 3.47Å; L118-K122 VanDerWaalsContact O-N 3.15Å; R119-K122 PolarHBondContact O-N 3.18Å; L120-K122 PolarHBondContact O-N 3.38Å; K122-N124 VanDerWaalsContact C-N 3.29Å; K122-N124 PolarHBondContact O-N 2.89Å; K122-E125 PolarHBondContact O-N 3.45Å; K122-N126 PolarHBondContact O-N 3.29Å; K122-N126 PolarHBondContact O-OD1 3.2Å
123M81.7Confident74Confident114 Ų114105.8 Ų105.856%0.56254%0.543SS*.Hα-helixtrans-59.9-39.7177-77.6-173.1-72.300112.3R119 L120 A121 N126 S127R119-M123 PolarHBondContact O-N 2.68Å; L120-M123 HydrophobicContact CD1-CE 4.48Å; L120-M123 PolarHBondContact O-N 3.31Å; A121-M123 PolarHBondContact O-N 3.44Å; M123-N126 PolarHBondContact O-N 3.15Å; M123-S127 PolarHBondContact O-N 3.21Å; M123-S127 VanDerWaalsContact O-N 3.09Å; M123-S127 PolarHBondContact O-OG 3.11Å
124N83Confident72Confident91 Ų91106.1 Ų106.149%0.48756%0.564SS.*Hα-helixtrans-70.2-34.3179.5-162.319.2000112.7L120 A121 K122 S127 K128L120-N124 PolarHBondContact O-N 3.22Å; A121-N124 PolarHBondContact O-N 3.37Å; K122-N124 VanDerWaalsContact C-N 3.29Å; K122-N124 PolarHBondContact O-N 2.89Å; N124-S127 PolarHBondContact O-N 3.4Å; N124-K128 WeakPolarHBondContact O-CG 3.21Å; N124-K128 PolarHBondContact O-N 3Å
125E82.9Confident70Confident129 Ų129108.5 Ų108.560%0.60358%0.58SS**Hα-helixtrans-64.6-43.2172.6-72.3173.1176.500111.5A121 K122 S127 K128 T129A121-E125 WeakPolarHBondContact O-CG 3.39Å; A121-E125 PolarHBondContact O-N 2.97Å; K122-E125 PolarHBondContact O-N 3.45Å; E125-S127 VanDerWaalsContact C-N 3.35Å; E125-S127 PolarHBondContact O-N 3.42Å; E125-K128 PolarHBondContact O-N 3.1Å; E125-T129 PolarHBondContact O-N 3.39Å
126N71.2Confident68.1Low108 Ų108112.9 Ų112.958%0.57860%0.601SS**Hα-helixtrans-62.6-37.1175.8-80.388.2000113.1K122 M123 K128 T129 S130K122-N126 PolarHBondContact O-N 3.29Å; K122-N126 PolarHBondContact O-OD1 3.2Å; M123-N126 PolarHBondContact O-N 3.15Å; N126-K128 VanDerWaalsContact C-N 3.34Å; N126-T129 PolarHBondContact O-N 3.1Å; N126-T129 PolarHBondContact O-OG1 3.27Å; N126-S130 PolarHBondContact O-N 3.49Å; N126-S130 PolarHBondContact O-OG 3.38Å
127S66.8Low65.9Low69 Ų69114.5 Ų114.548%0.48362%0.62SS.*Hα-helixtrans-67.2-34.3176.7-590000112.7M123 N124 E125 T129 S130 D131M123-S127 PolarHBondContact O-N 3.21Å; M123-S127 VanDerWaalsContact O-N 3.09Å; M123-S127 PolarHBondContact O-OG 3.11Å; N124-S127 PolarHBondContact O-N 3.4Å; E125-S127 VanDerWaalsContact C-N 3.35Å; E125-S127 PolarHBondContact O-N 3.42Å; S127-T129 VanDerWaalsContact C-N 3.34Å; S127-T129 PolarHBondContact O-N 3.43Å; S127-S130 PolarHBondContact O-N 2.96Å; S127-S130 PolarHBondContact O-OG 2.92Å; S127-D131 PolarHBondContact O-N 3.13Å
128K62.9Low64.3Low141 Ų141115.6 Ų115.661%0.61363%0.632SS**Hα-helixtrans-70.1-29.9178.6-71.1-179.8-177.9-174.70112.9N124 E125 N126 S132N124-K128 WeakPolarHBondContact O-CG 3.21Å; N124-K128 PolarHBondContact O-N 3Å; E125-K128 PolarHBondContact O-N 3.1Å; N126-K128 VanDerWaalsContact C-N 3.34Å; K128-S132 PolarHBondContact O-OG 3.32Å; K128-S132 VanDerWaalsContact O-OG 3.05Å
129T55.3Low63Low99 Ų99118.4 Ų118.461%0.60765%0.648SS**Hα-helixtrans-79-27.4177.658.40000112.8E125 N126 S127E125-T129 PolarHBondContact O-N 3.39Å; N126-T129 PolarHBondContact O-N 3.1Å; N126-T129 PolarHBondContact O-OG1 3.27Å; S127-T129 VanDerWaalsContact C-N 3.34Å; S127-T129 PolarHBondContact O-N 3.43Å
130S53.8Low62.1Low78 Ų78117.6 Ų117.655%0.54566%0.657SS.*Hα-helixtrans-77.2-29.8173.650.30000113.8N126 S127 S132 K133N126-S130 PolarHBondContact O-N 3.49Å; N126-S130 PolarHBondContact O-OG 3.38Å; S127-S130 PolarHBondContact O-N 2.96Å; S127-S130 PolarHBondContact O-OG 2.92Å; S130-S132 PolarHBondContact O-N 3.29Å; S130-K133 PolarHBondContact O-N 3.1Å
131D47.2Very low61.3Low141 Ų141117.3 Ų117.375%0.75466%0.659SS**THydrogen-bonded Turntrans-74.7-11.1176.1-116.85.2000113.1S127 K133S127-D131 PolarHBondContact O-N 3.13Å; D131-K133 VanDerWaalsContact C-N 3.3Å
132S44Very low60.2Low97 Ų97120.2 Ų120.268%0.67867%0.674SS**THydrogen-bonded Turntrans-88.76.5175.5-49.90000113.2K128 S130K128-S132 PolarHBondContact O-OG 3.32Å; K128-S132 VanDerWaalsContact O-OG 3.05Å; S130-S132 PolarHBondContact O-N 3.29Å
133K39.4Very low59.5Low188 Ų188123.1 Ų123.182%0.81769%0.69SS**  trans-126.446.6176-85-160.9174.8-171.30111.8S130 D131S130-K133 PolarHBondContact O-N 3.1Å; D131-K133 VanDerWaalsContact C-N 3.3Å
134A42.5Very low58.7Low93 Ų93125.8 Ų125.877%0.76971%0.705SS**  trans-122.336.7158.600000109.8
135D43Very low57.7Low151 Ų151127 Ų12781%0.80772%0.716SS**SBendtrans-104.7129.8155.3-170.932.1000105.5
136D47.8Very low56.7Low160 Ų160128.8 Ų128.886%0.85672%0.724SS**SBendtrans88.175-175.3-146.243000116.7
137G40.1Very low56.4Low59 Ų59129.9 Ų129.961%0.60873%0.73SS**  trans-175.3-4.7172.600000116.7D139G137-D139 PolarHBondContact O-N 2.99Å
138D52.7Low56.5Low159 Ų159135.2 Ų135.285%0.8575%0.745SS**THydrogen-bonded Turntrans-6910.5173.2-102.2-16.1000113.8
139D61Low56.9Low160 Ų160133.9 Ų133.986%0.85674%0.744SS**THydrogen-bonded Turntrans-97.4-5.2-178.7-122.34.8000113.9G137G137-D139 PolarHBondContact O-N 2.99Å
140D68.2Low57.4Low155 Ų155136.7 Ų136.783%0.82975%0.751SS**SBendtrans-103.65.1-179.9-92.3-23.6000113.8P142D140-P142 VanDerWaalsContact O-CD 3.29Å; D140-P142 WeakPolarHBondContact O-CD 3.4Å
141V68Low57.9Low108 Ų108142.1 Ų142.166%0.65576%0.764SS**SBendtrans-87.4110.3168.7-1780000107.7E143V141-E143 PolarHBondContact O-N 3.26Å
142P65.1Low58.9Low107 Ų107139.3 Ų139.370%0.69576%0.756SS**  trans-60.9135175.6-17.731.3000109.5D140 L144D140-P142 VanDerWaalsContact O-CD 3.29Å; D140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-L144 PolarHBondContact O-N 2.92Å
143E73.2Confident60.3Low179 Ų179144.4 Ų144.484%0.83676%0.76SS**  trans-52.2126.3175.7-156.6170.3-161.600109V141 V145V141-E143 PolarHBondContact O-N 3.26Å; E143-V145 VanDerWaalsContact C-N 3.28Å; E143-V145 PolarHBondContact O-N 2.95Å
144L63.9Low61.3Low169 Ų169143.5 Ų143.589%0.88576%0.763SS**  trans-66.791.1179-68.5171.2000107.9P142 E146P142-L144 PolarHBondContact O-N 2.92Å; L144-E146 PolarHBondContact O-N 3.45Å
145V63.4Low61.7Low116 Ų116150.8 Ų150.870%0.70378%0.781SS**  trans-69.2105.3175.6-174.20000108.3E143E143-V145 VanDerWaalsContact C-N 3.28Å; E143-V145 PolarHBondContact O-N 2.95Å
146E61.7Low62.7Low167 Ų167150.8 Ų150.878%0.7878%0.78SS**SBendtrans64.2127.5164.9-62177.9179.300117L144 F148L144-E146 PolarHBondContact O-N 3.45Å; E146-F148 PolarHBondContact O-N 2.98Å
147D63.6Low63.5Low131 Ų131150.3 Ų150.370%0.70178%0.776SS**  trans-57.5107.6-175.6-67.8-48000112.2D149 E150D147-D149 PolarHBondContact O-N 3.17Å; D147-E150 PolarHBondContact O-N 3.18Å; D147-E150 VanDerWaalsContact O-N 3.12Å
148F70.4Confident64.8Low182 Ų182155.3 Ų155.380%0.79879%0.785SS**Hα-helixtrans-53.9-16.1170.6-86-97.4000113.3E146E146-F148 PolarHBondContact O-N 2.98Å
149D71Confident65.5Low112 Ų112155.1 Ų155.160%0.59978%0.781SS**Hα-helixtrans-72.3-26.5178.8-79.1-8.1000113.7D147 S152D147-D149 PolarHBondContact O-N 3.17Å; D149-S152 PolarHBondContact O-OG 3.5Å
150E65.5Low65.7Low159 Ų159154.8 Ų154.874%0.74378%0.777SS**Hα-helixtrans-75.5-39177.8-76.5-163.5158.200112.2D147 S152 R153D147-E150 PolarHBondContact O-N 3.18Å; D147-E150 VanDerWaalsContact O-N 3.12Å; E150-S152 VanDerWaalsContact C-N 3.28Å; E150-S152 PolarHBondContact O-N 3.33Å; E150-R153 PolarHBondContact O-N 3.13Å
151K64.6Low65.6Low192 Ų192154.8 Ų154.884%0.83577%0.773SS**Hα-helixtrans-71.2-23.2-176.6-136.2162.5-167.4157.30113.3R153K151-R153 VanDerWaalsContact C-N 3.34Å
152S68.9Low65.4Low81 Ų81158.1 Ų158.157%0.56678%0.782SS**THydrogen-bonded Turntrans-81.1-9.3176.868.40000114.3D149 E150D149-S152 PolarHBondContact O-OG 3.5Å; E150-S152 VanDerWaalsContact C-N 3.28Å; E150-S152 PolarHBondContact O-N 3.33Å
153R71.7Confident65.4Low205 Ų205162.1 Ų162.177%0.77479%0.788SS**THydrogen-bonded Turntrans-102.5-3.8-178.4-67.9-174.2-170.8-170.36.4114.7E150 K151E150-R153 PolarHBondContact O-N 3.13Å; K151-R153 VanDerWaalsContact C-N 3.34Å
154L60.3Low64.8Low168 Ų168160.7 Ų160.788%0.8878%0.784SS**  trans-110.711-175.7-138.889000115.4
155E52.6Low64.9Low246 Ų246159.9 Ų159.9100%1.1578%0.775SS**  trans-124.10169.5-162.6173.1-17000110.2

Retrieved 155 of 155 residues in 52.2 ms (Link to these results)