A0A077ZNA3_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 207 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
1M63.1Low85.6Confident220 Ų22092.5 Ų92.5100%1.08449%0.493SS*.  0130.10-163.5167.9-178.100107.4
2K71.1Confident86.1Confident125 Ų12592.9 Ų92.954%0.54350%0.495SS..  trans-80.6138.6179.8176.3177.4160.3165.20108.8F14K2-F14 VanDerWaalsContact CD-O 3.26Å; K2-F14 WeakPolarHBondContact CD-O 3.31Å; K2-F14 WeakPolarHBondContact CE-O 3.21Å; K2-F14 HydrophobicContact CG-CB 4.15Å; K2-F14 PolarHBondContact NZ-O 2.76Å
3P79.1Confident86.5Confident19 Ų1991.1 Ų91.112%0.12349%0.491CS..  trans-63.6140.5171.8-20.131.5000111.7Q5 F14 F20 V27P3-Q5 PolarHBondContact O-N 2.93Å; P3-F14 HydrophobicContact CB-CD2 3.82Å; P3-F14 HydrophobicContact CB-CE2 4.03Å; P3-F14 HydrophobicContact CG-CB 4.5Å; P3-F14 HydrophobicContact CG-CD1 4.41Å; P3-F14 HydrophobicContact CG-CD2 3.7Å; P3-F14 HydrophobicContact CG-CE2 4.01Å; P3-F14 HydrophobicContact CG-CG 3.94Å; P3-F14 HydrophobicContact CG-CZ 4.49Å; P3-F20 HydrophobicContact CG-CD1 4.02Å; P3-F20 HydrophobicContact CG-CD2 4.08Å; P3-F20 HydrophobicContact CG-CE1 4.05Å; P3-F20 HydrophobicContact CG-CE2 4.11Å; P3-F20 HydrophobicContact CG-CG 4.04Å; P3-F20 HydrophobicContact CG-CZ 4.1Å; P3-V27 HydrophobicContact CB-CB 4.47Å; P3-V27 HydrophobicContact CB-CG1 4.05Å; P3-V27 HydrophobicContact CB-CG2 4.32Å; P3-V27 HydrophobicContact CG-CG1 3.76Å
4D83.6Confident86.7Confident169 Ų16984.8 Ų84.890%0.90446%0.457SS*.SBendtrans-74.1-11.6175.8-66-33.3000113.1
5Q87.7Confident86.4Confident109 Ų10984.3 Ų84.351%0.50946%0.462SS..SBendtrans-103.9154-178.4-62.9174-4800111.5P3 F14 C25P3-Q5 PolarHBondContact O-N 2.93Å; Q5-F14 VanDerWaalsContact O-CD2 3.25Å; Q5-F14 WeakPolarHBondContact O-CD2 3.42Å; Q5-F14 VanDerWaalsContact O-CE2 3.24Å; Q5-F14 WeakPolarHBondContact O-CE2 3.32Å; Q5-C25 PolarHBondContact OE1-O 2.75Å
6N92.9Very high85.1Confident76 Ų7684.2 Ų84.241%0.40649%0.487SS..PPolyproline II helixtrans-73.5156.8168.5-72.5-5.1000111H8 N11N6-H8 PolarHBondContact O-N 2.81Å; N6-N11 PolarHBondContact ND2-O 3.06Å
7C93.5Very high84.2Confident0 Ų087.2 Ų87.20%051%0.507CS..PPolyproline II helixtrans-59.1120175.8169.90000110.6G9 C10 N11 N12 F14 V27 H29 C32C7-G9 PolarHBondContact O-N 3.38Å; C7-G9 VanDerWaalsContact O-N 3.16Å; C7-C10 PolarHBondContact O-N 2.87Å; C7-C10 VanDerWaalsContact SG-SG 3.61Å; C7-N11 WeakPolarHBondContact O-CA 3.19Å; C7-N11 PolarHBondContact O-N 3.32Å; C7-N12 WeakPolarHBondContact CB-O 3.3Å; C7-N12 PolarHBondContact N-O 3.38Å; C7-F14 HydrophobicContact CB-CE1 4.37Å; C7-F14 HydrophobicContact CB-CE2 4.19Å; C7-F14 HydrophobicContact CB-CZ 3.78Å; C7-V27 CarbonylContact C-O 3.58Å; C7-V27 VanDerWaalsContact CA-O 3.32Å; C7-V27 WeakPolarHBondContact CA-O 3.06Å; C7-H29 VanDerWaalsContact CB-CE1 3.46Å; C7-H29 WeakPolarHBondContact CB-CE1 3.36Å; C7-H29 VanDerWaalsContact CB-ND1 3.3Å; C7-H29 WeakPolarHBondContact CB-ND1 3.37Å; C7-H29 PolarHBondContact SG-N 3.16Å; C7-H29 PolarHBondContact SG-ND1 2.85Å; C7-C32 VanDerWaalsContact SG-CB 3.51Å
8H92.6Very high83.4Confident87 Ų8786.3 Ų86.340%0.40350%0.5SS..THydrogen-bonded Turntrans-57.5-35.3-177.5-17384.3000113N6 F26 V27 F28N6-H8 PolarHBondContact O-N 2.81Å; H8-F26 HydrophobicContact CB-CB 4.05Å; H8-F26 HydrophobicContact CB-CD1 4.25Å; H8-F26 HydrophobicContact CB-CG 4.38Å; H8-F26 AromaticContact CE1-CD1 3.56Å; H8-F26 AromaticContact CE1-CE1 3.37Å; H8-F26 WeakPolarHBondContact CE1-CE1 3.29Å; H8-F26 AromaticContact CE1-CZ 3.84Å; H8-F26 AromaticContact CG-CD1 3.71Å; H8-F26 AromaticContact CG-CG 3.96Å; H8-F26 AromaticContact ND1-CD1 3.15Å; H8-F26 WeakPolarHBondContact ND1-CD1 3.41Å; H8-F26 AromaticContact ND1-CE1 3.41Å; H8-F26 WeakPolarHBondContact ND1-CE1 3.49Å; H8-F26 AromaticContact ND1-CG 3.84Å; H8-V27 PolarHBondContact N-O 3.43Å; H8-F28 HydrophobicContact CB-CD1 4.08Å; H8-F28 HydrophobicContact CB-CE1 3.65Å; H8-F28 HydrophobicContact CB-CE2 4.38Å; H8-F28 HydrophobicContact CB-CZ 3.8Å; H8-F28 AromaticContact CD2-CE1 3.67Å; H8-F28 AromaticContact CD2-CZ 3.71Å
9G90.4Very high83.5Confident48 Ų4889.8 Ų89.850%0.49551%0.509SS..THydrogen-bonded Turntrans-77.1-25.7-178.600000116.9C7C7-G9 PolarHBondContact O-N 3.38Å; C7-G9 VanDerWaalsContact O-N 3.16Å
10C93.3Very high83.8Confident48 Ų4889.7 Ų89.732%0.32450%0.503SS..THydrogen-bonded Turntrans-131.8-2.4-17770.90000114.4C7 N12 H29 C32C7-C10 PolarHBondContact O-N 2.87Å; C7-C10 VanDerWaalsContact SG-SG 3.61Å; C10-N12 PolarHBondContact O-N 2.96Å; C10-N12 VanDerWaalsContact O-N 3.1Å; C10-H29 PolarHBondContact SG-ND1 3.38Å; C10-H29 VanDerWaalsContact SG-ND1 3.41Å; C10-C32 VanDerWaalsContact SG-SG 3.69Å
11N93.8Very high84.2Confident117 Ų11786.8 Ų86.863%0.62649%0.487SS*.  trans57.814.2-177.7-156.427.8000116.1N6 C7N6-N11 PolarHBondContact ND2-O 3.06Å; C7-N11 WeakPolarHBondContact O-CA 3.19Å; C7-N11 PolarHBondContact O-N 3.32Å
12N92.6Very high85.6Confident97 Ų9780.4 Ų80.452%0.51946%0.46SS..PPolyproline II helixtrans-91148.5176.2-68.9-42000112C7 C10C7-N12 WeakPolarHBondContact CB-O 3.3Å; C7-N12 PolarHBondContact N-O 3.38Å; C10-N12 PolarHBondContact O-N 2.96Å; C10-N12 VanDerWaalsContact O-N 3.1Å
13P91.1Very high86.7Confident69 Ų6975 Ų7545%0.44844%0.437SS..PPolyproline II helixtrans-72153.817930-35.5000112.3
14F89.3Confident87.2Confident3 Ų376.9 Ų76.91%0.01346%0.461CS..PPolyproline II helixtrans-75.8134.8174.3-63.6-87.5000111.2K2 P3 Q5 C7 F20 V27 H29K2-F14 VanDerWaalsContact CD-O 3.26Å; K2-F14 WeakPolarHBondContact CD-O 3.31Å; K2-F14 WeakPolarHBondContact CE-O 3.21Å; K2-F14 HydrophobicContact CG-CB 4.15Å; K2-F14 PolarHBondContact NZ-O 2.76Å; P3-F14 HydrophobicContact CB-CD2 3.82Å; P3-F14 HydrophobicContact CB-CE2 4.03Å; P3-F14 HydrophobicContact CG-CB 4.5Å; P3-F14 HydrophobicContact CG-CD1 4.41Å; P3-F14 HydrophobicContact CG-CD2 3.7Å; P3-F14 HydrophobicContact CG-CE2 4.01Å; P3-F14 HydrophobicContact CG-CG 3.94Å; P3-F14 HydrophobicContact CG-CZ 4.49Å; Q5-F14 VanDerWaalsContact O-CD2 3.25Å; Q5-F14 WeakPolarHBondContact O-CD2 3.42Å; Q5-F14 VanDerWaalsContact O-CE2 3.24Å; Q5-F14 WeakPolarHBondContact O-CE2 3.32Å; C7-F14 HydrophobicContact CB-CE1 4.37Å; C7-F14 HydrophobicContact CB-CE2 4.19Å; C7-F14 HydrophobicContact CB-CZ 3.78Å; F14-F20 HydrophobicContact CD1-CB 3.9Å; F14-F20 HydrophobicContact CE1-CB 3.48Å; F14-F20 VanDerWaalsContact CE1-CB 3.48Å; F14-F20 HydrophobicContact CE1-CG 4.43Å; F14-F20 HydrophobicContact CZ-CB 4.26Å; F14-V27 HydrophobicContact CE1-CG1 4.14Å; F14-V27 HydrophobicContact CE2-CB 4.06Å; F14-V27 HydrophobicContact CE2-CG1 3.81Å; F14-V27 HydrophobicContact CZ-CB 3.95Å; F14-V27 HydrophobicContact CZ-CG1 3.46Å; F14-V27 VanDerWaalsContact CZ-CG1 3.46Å; F14-H29 AromaticContact CD1-CD2 3.69Å; F14-H29 AromaticContact CD1-NE2 3.69Å; F14-H29 AromaticContact CE1-CD2 3.66Å; F14-H29 AromaticContact CE1-NE2 3.91Å
15S82Confident87.5Confident77 Ų7772.5 Ų72.554%0.53844%0.442SS..PPolyproline II helixtrans-101.5157172.8-66.20000110.9T17 N18S15-T17 PolarHBondContact O-N 2.95Å; S15-N18 PolarHBondContact O-N 2.92Å
16G65.8Low87.7Confident83 Ų8368.5 Ų68.586%0.85642%0.423SS*.THydrogen-bonded Turntrans-59.410.4-160.100000119.6
17T69.1Low87.8Confident135 Ų13565.5 Ų65.583%0.82841%0.408SS*.THydrogen-bonded Turntrans-1421.6173.753.40000114.1S15 K19S15-T17 PolarHBondContact O-N 2.95Å; T17-K19 PolarHBondContact O-N 3.5Å
18N70Confident87.8Confident71 Ų7165.9 Ų65.938%0.3841%0.409SS..  trans-71.2124.3-176.3-77.7-0.8000111S15S15-N18 PolarHBondContact O-N 2.92Å
19K85.2Confident87.8Confident154 Ų15463 Ų6367%0.6740%0.396SS*.  trans-62.7134.8164-68.1-177.6179.9179.40109.1T17 E30T17-K19 PolarHBondContact O-N 3.5Å; K19-E30 HydrophobicContact CB-CB 4.45Å; K19-E30 VanDerWaalsContact CB-OE2 3.3Å; K19-E30 WeakPolarHBondContact CB-OE2 3.46Å; K19-E30 VanDerWaalsContact CD-OE2 3.23Å; K19-E30 WeakPolarHBondContact CD-OE2 3.18Å; K19-E30 PolarHBondContact O-N 3.29Å
20F90.3Very high87.7Confident87 Ų8765.6 Ų65.638%0.38240%0.395SS..EExtended strand (participates in β ladder)trans-131.2156.4179.160.6-93.8000110P3 F14 V22 V27 F28P3-F20 HydrophobicContact CG-CD1 4.02Å; P3-F20 HydrophobicContact CG-CD2 4.08Å; P3-F20 HydrophobicContact CG-CE1 4.05Å; P3-F20 HydrophobicContact CG-CE2 4.11Å; P3-F20 HydrophobicContact CG-CG 4.04Å; P3-F20 HydrophobicContact CG-CZ 4.1Å; F14-F20 HydrophobicContact CD1-CB 3.9Å; F14-F20 HydrophobicContact CE1-CB 3.48Å; F14-F20 VanDerWaalsContact CE1-CB 3.48Å; F14-F20 HydrophobicContact CE1-CG 4.43Å; F14-F20 HydrophobicContact CZ-CB 4.26Å; F20-V22 HydrophobicContact CD2-CG2 4.05Å; F20-V22 HydrophobicContact CE2-CG2 4.08Å; F20-V27 HydrophobicContact CB-CG1 4.02Å; F20-V27 HydrophobicContact CD2-CG1 3.7Å; F20-V27 HydrophobicContact CG-CG1 4.12Å; F20-F28 CarbonylContact C-O 3.54Å; F20-F28 WeakPolarHBondContact CA-O 3.29Å; F20-F28 VanDerWaalsContact CB-O 3.31Å; F20-F28 WeakPolarHBondContact CB-O 3.25Å
21V92.1Very high87.4Confident28 Ų2865.9 Ų65.917%0.1741%0.407CS..EExtended strand (participates in β ladder)trans-120.4141.1175.5-62.20000108.8V27 F28 L33 P45V21-V27 WeakPolarHBondContact O-CA 3.29Å; V21-F28 HydrophobicContact CG2-CB 3.81Å; V21-F28 HydrophobicContact CG2-CD2 4.49Å; V21-F28 PolarHBondContact N-O 2.85Å; V21-F28 PolarHBondContact O-N 3.14Å; V21-L33 HydrophobicContact CG2-CB 4.13Å; V21-L33 HydrophobicContact CG2-CD2 3.98Å; V21-P45 HydrophobicContact CB-CB 4.48Å; V21-P45 HydrophobicContact CB-CG 4.45Å; V21-P45 HydrophobicContact CG1-CG 4.22Å; V21-P45 HydrophobicContact CG2-CG 4.42Å
22V92.4Very high87.4Confident87 Ų8762.1 Ų62.153%0.52739%0.389SS..EExtended strand (participates in β ladder)trans-111.5127177.8-176.40000107.7F20 F26 V27F20-V22 HydrophobicContact CD2-CG2 4.05Å; F20-V22 HydrophobicContact CE2-CG2 4.08Å; V22-F26 WeakPolarHBondContact CA-O 3.49Å; V22-V27 HydrophobicContact CG2-CG1 4.27Å; V22-V27 HydrophobicContact CG2-CG2 4.37Å
23V93Very high87.5Confident10 Ų1057.6 Ų57.66%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-133113.4174.5-173.30000108C25 F26 F28 L33 P45 A49 C51 V56V23-C25 PolarHBondContact O-N 2.86Å; V23-F26 PolarHBondContact N-O 2.73Å; V23-F26 PolarHBondContact O-N 3.44Å; V23-F26 VanDerWaalsContact O-N 3.1Å; V23-F28 HydrophobicContact CB-CE2 4.44Å; V23-L33 HydrophobicContact CG2-CD2 3.96Å; V23-P45 HydrophobicContact CG2-CB 4.25Å; V23-A49 HydrophobicContact CG1-CB 3.92Å; V23-A49 HydrophobicContact CG2-CB 3.92Å; V23-C51 HydrophobicContact CG1-CB 4.36Å; V23-V56 HydrophobicContact CB-CG1 4.12Å; V23-V56 HydrophobicContact CB-CG2 4.28Å; V23-V56 HydrophobicContact CG1-CG1 3.66Å; V23-V56 HydrophobicContact CG1-CG2 4.15Å; V23-V56 HydrophobicContact CG2-CG1 4.4Å
24G90.5Very high87.7Confident60 Ų6060 Ų6062%0.61937%0.368SS*.THydrogen-bonded Turntrans61.4-123.5-170.600000111.4
25C90Very high88Confident76 Ų7660 Ų6051%0.51437%0.368SS..THydrogen-bonded Turntrans-953.3176.362.40000113.9Q5 V23Q5-C25 PolarHBondContact OE1-O 2.75Å; V23-C25 PolarHBondContact O-N 2.86Å
26F92.5Very high88.4Confident26 Ų2659.1 Ų59.111%0.11436%0.358CS..EExtended strand (participates in β ladder)trans-104.5142-174.5-58.6-58000111.9H8 V22 V23 F28 D54 V56H8-F26 HydrophobicContact CB-CB 4.05Å; H8-F26 HydrophobicContact CB-CD1 4.25Å; H8-F26 HydrophobicContact CB-CG 4.38Å; H8-F26 AromaticContact CE1-CD1 3.56Å; H8-F26 AromaticContact CE1-CE1 3.37Å; H8-F26 WeakPolarHBondContact CE1-CE1 3.29Å; H8-F26 AromaticContact CE1-CZ 3.84Å; H8-F26 AromaticContact CG-CD1 3.71Å; H8-F26 AromaticContact CG-CG 3.96Å; H8-F26 AromaticContact ND1-CD1 3.15Å; H8-F26 WeakPolarHBondContact ND1-CD1 3.41Å; H8-F26 AromaticContact ND1-CE1 3.41Å; H8-F26 WeakPolarHBondContact ND1-CE1 3.49Å; H8-F26 AromaticContact ND1-CG 3.84Å; V22-F26 WeakPolarHBondContact CA-O 3.49Å; V23-F26 PolarHBondContact N-O 2.73Å; V23-F26 PolarHBondContact O-N 3.44Å; V23-F26 VanDerWaalsContact O-N 3.1Å; F26-F28 HydrophobicContact CB-CD2 4.3Å; F26-F28 HydrophobicContact CB-CE2 3.4Å; F26-F28 HydrophobicContact CB-CZ 3.75Å; F26-F28 HydrophobicContact CG-CE2 4.5Å; F26-F28 HydrophobicContact CG-CZ 4.47Å; F26-D54 HydrophobicContact CZ-CB 4.2Å; F26-V56 HydrophobicContact CD2-CG2 3.96Å
27V93.4Very high89.6Confident13 Ų1359.1 Ų59.18%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-115133.9176.3-163.50000109.3P3 C7 H8 F14 F20 V21 V22P3-V27 HydrophobicContact CB-CB 4.47Å; P3-V27 HydrophobicContact CB-CG1 4.05Å; P3-V27 HydrophobicContact CB-CG2 4.32Å; P3-V27 HydrophobicContact CG-CG1 3.76Å; C7-V27 CarbonylContact C-O 3.58Å; C7-V27 VanDerWaalsContact CA-O 3.32Å; C7-V27 WeakPolarHBondContact CA-O 3.06Å; H8-V27 PolarHBondContact N-O 3.43Å; F14-V27 HydrophobicContact CE1-CG1 4.14Å; F14-V27 HydrophobicContact CE2-CB 4.06Å; F14-V27 HydrophobicContact CE2-CG1 3.81Å; F14-V27 HydrophobicContact CZ-CB 3.95Å; F14-V27 HydrophobicContact CZ-CG1 3.46Å; F14-V27 VanDerWaalsContact CZ-CG1 3.46Å; F20-V27 HydrophobicContact CB-CG1 4.02Å; F20-V27 HydrophobicContact CD2-CG1 3.7Å; F20-V27 HydrophobicContact CG-CG1 4.12Å; V21-V27 WeakPolarHBondContact O-CA 3.29Å; V22-V27 HydrophobicContact CG2-CG1 4.27Å; V22-V27 HydrophobicContact CG2-CG2 4.37Å
28F93.9Very high90.8Very high7 Ų754.6 Ų54.63%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-128.4149.6-178.3-56.2-102.7000110.9H8 F20 V21 V23 F26 L33 V56H8-F28 HydrophobicContact CB-CD1 4.08Å; H8-F28 HydrophobicContact CB-CE1 3.65Å; H8-F28 HydrophobicContact CB-CE2 4.38Å; H8-F28 HydrophobicContact CB-CZ 3.8Å; H8-F28 AromaticContact CD2-CE1 3.67Å; H8-F28 AromaticContact CD2-CZ 3.71Å; F20-F28 CarbonylContact C-O 3.54Å; F20-F28 WeakPolarHBondContact CA-O 3.29Å; F20-F28 VanDerWaalsContact CB-O 3.31Å; F20-F28 WeakPolarHBondContact CB-O 3.25Å; V21-F28 HydrophobicContact CG2-CB 3.81Å; V21-F28 HydrophobicContact CG2-CD2 4.49Å; V21-F28 PolarHBondContact N-O 2.85Å; V21-F28 PolarHBondContact O-N 3.14Å; V23-F28 HydrophobicContact CB-CE2 4.44Å; F26-F28 HydrophobicContact CB-CD2 4.3Å; F26-F28 HydrophobicContact CB-CE2 3.4Å; F26-F28 HydrophobicContact CB-CZ 3.75Å; F26-F28 HydrophobicContact CG-CE2 4.5Å; F26-F28 HydrophobicContact CG-CZ 4.47Å; F28-L33 HydrophobicContact CB-CB 4.1Å; F28-L33 HydrophobicContact CD1-CB 4.29Å; F28-L33 HydrophobicContact CD1-CD1 3.99Å; F28-L33 HydrophobicContact CD2-CD1 3.96Å; F28-L33 HydrophobicContact CE1-CD1 3.88Å; F28-L33 HydrophobicContact CE2-CD1 3.85Å; F28-L33 HydrophobicContact CG-CB 4.13Å; F28-L33 HydrophobicContact CG-CD1 4.03Å; F28-L33 HydrophobicContact CZ-CD1 3.83Å; F28-V56 HydrophobicContact CE2-CG2 4.04Å; F28-V56 HydrophobicContact CZ-CB 4.37Å; F28-V56 HydrophobicContact CZ-CG2 3.79Å
29H92.3Very high91.9Very high28 Ų2857.6 Ų57.613%0.1332%0.317CS..EExtended strand (participates in β ladder)trans-60.5146.1156.7-61.6113.1000109.2C7 C10 F14 G31 C32C7-H29 VanDerWaalsContact CB-CE1 3.46Å; C7-H29 WeakPolarHBondContact CB-CE1 3.36Å; C7-H29 VanDerWaalsContact CB-ND1 3.3Å; C7-H29 WeakPolarHBondContact CB-ND1 3.37Å; C7-H29 PolarHBondContact SG-N 3.16Å; C7-H29 PolarHBondContact SG-ND1 2.85Å; C10-H29 PolarHBondContact SG-ND1 3.38Å; C10-H29 VanDerWaalsContact SG-ND1 3.41Å; F14-H29 AromaticContact CD1-CD2 3.69Å; F14-H29 AromaticContact CD1-NE2 3.69Å; F14-H29 AromaticContact CE1-CD2 3.66Å; F14-H29 AromaticContact CE1-NE2 3.91Å; H29-G31 PolarHBondContact O-N 3.04Å; H29-C32 HydrophobicContact CB-CB 3.94Å; H29-C32 PolarHBondContact O-N 3.21Å
30E88.3Confident92.4Very high101 Ų10157.5 Ų57.547%0.47232%0.317SS..THydrogen-bonded Turntrans-51.7-30.5179.6-169.4178.5174.500113.3K19K19-E30 HydrophobicContact CB-CB 4.45Å; K19-E30 VanDerWaalsContact CB-OE2 3.3Å; K19-E30 WeakPolarHBondContact CB-OE2 3.46Å; K19-E30 VanDerWaalsContact CD-OE2 3.23Å; K19-E30 WeakPolarHBondContact CD-OE2 3.18Å; K19-E30 PolarHBondContact O-N 3.29Å
31G88.9Confident92.6Very high55 Ų5558.8 Ų58.857%0.56732%0.322SS*.THydrogen-bonded Turntrans-93.1-9.1175.400000116.2H29H29-G31 PolarHBondContact O-N 3.04Å
32C93.5Very high92.7Very high37 Ų3757.8 Ų57.825%0.2532%0.316CS..THydrogen-bonded Turntrans-92.2-14-176.8-73.40000113.5C7 C10 H29 K34C7-C32 VanDerWaalsContact SG-CB 3.51Å; C10-C32 VanDerWaalsContact SG-SG 3.69Å; H29-C32 HydrophobicContact CB-CB 3.94Å; H29-C32 PolarHBondContact O-N 3.21Å; C32-K34 PolarHBondContact O-N 3.32Å
33L94.6Very high92.7Very high2 Ų258.8 Ų58.81%0.0132%0.318CS..  trans-75.6115.8178.8-179.763.1000111.1V21 V23 F28 I42 P45 A49 V56V21-L33 HydrophobicContact CG2-CB 4.13Å; V21-L33 HydrophobicContact CG2-CD2 3.98Å; V23-L33 HydrophobicContact CG2-CD2 3.96Å; F28-L33 HydrophobicContact CB-CB 4.1Å; F28-L33 HydrophobicContact CD1-CB 4.29Å; F28-L33 HydrophobicContact CD1-CD1 3.99Å; F28-L33 HydrophobicContact CD2-CD1 3.96Å; F28-L33 HydrophobicContact CE1-CD1 3.88Å; F28-L33 HydrophobicContact CE2-CD1 3.85Å; F28-L33 HydrophobicContact CG-CB 4.13Å; F28-L33 HydrophobicContact CG-CD1 4.03Å; F28-L33 HydrophobicContact CZ-CD1 3.83Å; L33-I42 HydrophobicContact CD2-CB 4.32Å; L33-I42 HydrophobicContact CG-CB 4.46Å; L33-I42 HydrophobicContact CG-CD1 4.41Å; L33-P45 HydrophobicContact CD2-CB 3.42Å; L33-P45 VanDerWaalsContact CD2-CB 3.42Å; L33-P45 HydrophobicContact CD2-CG 3.46Å; L33-P45 VanDerWaalsContact CD2-CG 3.46Å; L33-A49 HydrophobicContact CD2-CB 4.31Å; L33-V56 HydrophobicContact CD1-CB 4.18Å; L33-V56 HydrophobicContact CD1-CG1 3.66Å
34K95Very high92.7Very high121 Ų12163.2 Ų63.253%0.52634%0.341SS..BIsolated β-bridgetrans-129.3149.9172.5-63.7178.4-179.2-178.10108.9C32 D36 K40C32-K34 PolarHBondContact O-N 3.32Å; K34-D36 PolarHBondContact O-N 2.95Å; K34-K40 CarbonylContact C-O 3.53Å; K34-K40 VanDerWaalsContact CA-O 3.28Å; K34-K40 WeakPolarHBondContact CA-O 3.46Å
35C94.6Very high92.8Very high1 Ų161.5 Ų61.51%0.00732%0.319CS..  trans-65.9128.5173.2177.20000110.2Y37 C38 H39 K40 I42 V56 C58 H61C35-Y37 PolarHBondContact O-N 3.41Å; C35-Y37 PolarHBondContact SG-N 3.03Å; C35-Y37 VanDerWaalsContact SG-N 3.42Å; C35-C38 VanDerWaalsContact CB-SG 3.5Å; C35-C38 PolarHBondContact SG-N 2.94Å; C35-C38 VanDerWaalsContact SG-N 3.44Å; C35-H39 WeakPolarHBondContact O-CA 3.38Å; C35-H39 PolarHBondContact O-N 2.82Å; C35-K40 PolarHBondContact N-O 3.17Å; C35-I42 HydrophobicContact CB-CD1 4.04Å; C35-I42 HydrophobicContact CB-CG1 4.03Å; C35-V56 CarbonylContact C-O 3.52Å; C35-V56 WeakPolarHBondContact CA-O 3.28Å; C35-C58 VanDerWaalsContact CB-SG 3.55Å; C35-C58 PolarHBondContact SG-N 3.3Å; C35-H61 VanDerWaalsContact SG-CD2 3.54Å
36D91.8Very high92.8Very high60 Ų6061.6 Ų61.632%0.32133%0.333SS..THydrogen-bonded Turntrans-67-19.5177.9-73.3-41.5000113K34 H39 Q55 V56 L83K34-D36 PolarHBondContact O-N 2.95Å; D36-H39 PolarHBondContact O-CE1 3.28Å; D36-Q55 HydrophobicContact CB-CB 4.19Å; D36-Q55 WeakPolarHBondContact OD2-CA 3.48Å; D36-Q55 WeakPolarHBondContact OD2-CB 3.37Å; D36-V56 PolarHBondContact N-O 3.3Å; D36-V56 PolarHBondContact OD2-N 3.46Å; D36-L83 HydrophobicContact CB-CD2 4.21Å
37Y91.2Very high92.8Very high83 Ų8364.2 Ų64.233%0.32535%0.351SS..THydrogen-bonded Turntrans-88.6-55.4178.8-177.5-114.5000113.1C35 H61 E66 L67 P82 L83C35-Y37 PolarHBondContact O-N 3.41Å; C35-Y37 PolarHBondContact SG-N 3.03Å; C35-Y37 VanDerWaalsContact SG-N 3.42Å; Y37-H61 HydrophobicContact CD1-CB 4.26Å; Y37-H61 AromaticContact CD1-CD2 3.63Å; Y37-H61 AromaticContact CD1-CE1 3.56Å; Y37-H61 AromaticContact CD1-CG 3.58Å; Y37-H61 AromaticContact CD1-ND1 3.52Å; Y37-H61 AromaticContact CD1-NE2 3.65Å; Y37-H61 AromaticContact CE1-CE1 3.91Å; Y37-H61 AromaticContact CE1-ND1 3.69Å; Y37-E66 HydrophobicContact CE1-CB 4.37Å; Y37-L67 HydrophobicContact CD1-CD2 4.06Å; Y37-L67 HydrophobicContact CD2-CD2 3.57Å; Y37-L67 HydrophobicContact CE1-CD2 4.4Å; Y37-L67 HydrophobicContact CE2-CD2 3.98Å; Y37-L67 HydrophobicContact CG-CD2 3.61Å; Y37-P82 HydrophobicContact CD2-CB 4.24Å; Y37-P82 HydrophobicContact CE2-CB 3.64Å; Y37-P82 HydrophobicContact CE2-CG 4.2Å; Y37-L83 VanDerWaalsContact CA-CD2 3.45Å; Y37-L83 HydrophobicContact CD2-CD2 3.95Å; Y37-L83 HydrophobicContact CD2-CG 4.21Å; Y37-L83 HydrophobicContact CG-CD2 4.28Å
38C93.4Very high93Very high39 Ų3967.1 Ų67.126%0.26437%0.366SS..THydrogen-bonded Turntrans-100.1-4.1-175.372.20000114.1C35 K40 H61C35-C38 VanDerWaalsContact CB-SG 3.5Å; C35-C38 PolarHBondContact SG-N 2.94Å; C35-C38 VanDerWaalsContact SG-N 3.44Å; C38-K40 PolarHBondContact O-N 2.92Å; C38-H61 WeakPolarHBondContact CB-NE2 3.09Å; C38-H61 PolarHBondContact SG-NE2 3.01Å
39H93.3Very high93Very high135 Ų13567.6 Ų67.663%0.62537%0.371SS*.  trans606.6-179.8-51.8-48.4000115.9C35 D36C35-H39 WeakPolarHBondContact O-CA 3.38Å; C35-H39 PolarHBondContact O-N 2.82Å; D36-H39 PolarHBondContact O-CE1 3.28Å
40K95.2Very high93.1Very high151 Ų15170 Ų7066%0.65738%0.383SS*.  trans-79.1151.4175.1-62.2179.9-176.9176.70110.7K34 C35 C38K34-K40 CarbonylContact C-O 3.53Å; K34-K40 VanDerWaalsContact CA-O 3.28Å; K34-K40 WeakPolarHBondContact CA-O 3.46Å; C35-K40 PolarHBondContact N-O 3.17Å; C38-K40 PolarHBondContact O-N 2.92Å
41K94.6Very high93.2Very high114 Ų11466.9 Ų66.950%0.49637%0.372SS..BIsolated β-bridgetrans-59.4138.9168.5-176.1-177.7175.6-166.90109.1
42I95.2Very high93Very high7 Ų767.4 Ų67.44%0.03636%0.361CS..  trans-95.2111.5174.8-51.5-179.5000108.3L33 C35 N48 A49 V56L33-I42 HydrophobicContact CD2-CB 4.32Å; L33-I42 HydrophobicContact CG-CB 4.46Å; L33-I42 HydrophobicContact CG-CD1 4.41Å; C35-I42 HydrophobicContact CB-CD1 4.04Å; C35-I42 HydrophobicContact CB-CG1 4.03Å; I42-N48 HydrophobicContact CG2-CB 3.75Å; I42-A49 HydrophobicContact CD1-CB 3.88Å; I42-A49 HydrophobicContact CG2-CB 4.02Å; I42-V56 HydrophobicContact CD1-CG1 4.23Å
43D92.4Very high92.3Very high108 Ų10870.4 Ų70.458%0.57838%0.375SS*.SBendtrans-77.3143.8173.4-64.1-45.3000110.4N48D43-N48 WeakPolarHBondContact O-CB 3.46Å; D43-N48 PolarHBondContact O-ND2 3.24Å
44N92.4Very high91.6Very high103 Ų10374.9 Ų74.955%0.55140%0.399SS*.SBendtrans46.965.3-173.9-165.618.5000113.8G46 V47 N48N44-G46 PolarHBondContact O-N 2.92Å; N44-G46 VanDerWaalsContact O-N 3.09Å; N44-V47 VanDerWaalsContact ND2-CG2 3.33Å; N44-V47 WeakPolarHBondContact ND2-CG2 3.38Å; N44-V47 PolarHBondContact O-N 2.9Å; N44-N48 PolarHBondContact O-N 3.26Å
45P92Very high91.3Very high24 Ų2470.9 Ų70.916%0.15638%0.382CS..Hα-helixtrans-55.7-32-171.3-30.439.4000115.4V21 V23 L33 V47 A49V21-P45 HydrophobicContact CB-CB 4.48Å; V21-P45 HydrophobicContact CB-CG 4.45Å; V21-P45 HydrophobicContact CG1-CG 4.22Å; V21-P45 HydrophobicContact CG2-CG 4.42Å; V23-P45 HydrophobicContact CG2-CB 4.25Å; L33-P45 HydrophobicContact CD2-CB 3.42Å; L33-P45 VanDerWaalsContact CD2-CB 3.42Å; L33-P45 HydrophobicContact CD2-CG 3.46Å; L33-P45 VanDerWaalsContact CD2-CG 3.46Å; P45-V47 PolarHBondContact O-N 3Å; P45-V47 VanDerWaalsContact O-N 3.16Å; P45-A49 HydrophobicContact CB-CB 4.13Å; P45-A49 WeakPolarHBondContact O-CB 3.49Å; P45-A49 PolarHBondContact O-N 2.8Å
46G90Very high91.2Very high78 Ų7870.9 Ų70.980%0.80438%0.382SS*.Hα-helixtrans-63.6-19178.900000114.2N44N44-G46 PolarHBondContact O-N 2.92Å; N44-G46 VanDerWaalsContact O-N 3.09Å
47V93.6Very high91.3Very high82 Ų8268 Ų6850%0.49737%0.367SS..Hα-helixtrans-109.8-39.1178.2-178.10000111.4N44 P45N44-V47 VanDerWaalsContact ND2-CG2 3.33Å; N44-V47 WeakPolarHBondContact ND2-CG2 3.38Å; N44-V47 PolarHBondContact O-N 2.9Å; P45-V47 PolarHBondContact O-N 3Å; P45-V47 VanDerWaalsContact O-N 3.16Å
48N95.9Very high91.5Very high73 Ų7365.1 Ų65.139%0.3936%0.358SS..Hα-helixtrans-104.4-7.6-167.7-65.7-28.2000114.3I42 D43 N44 C58 K59I42-N48 HydrophobicContact CG2-CB 3.75Å; D43-N48 WeakPolarHBondContact O-CB 3.46Å; D43-N48 PolarHBondContact O-ND2 3.24Å; N44-N48 PolarHBondContact O-N 3.26Å; N48-C58 CarbonylContact O-C 3.52Å; N48-C58 WeakPolarHBondContact O-CA 3.37Å; N48-K59 PolarHBondContact O-N 2.93Å
49A95.1Very high91.6Very high17 Ų1767.4 Ų67.414%0.1436%0.364CS..EExtended strand (participates in β ladder)trans-103.5143.7176.700000111V23 L33 I42 P45 V56 V57V23-A49 HydrophobicContact CG1-CB 3.92Å; V23-A49 HydrophobicContact CG2-CB 3.92Å; L33-A49 HydrophobicContact CD2-CB 4.31Å; I42-A49 HydrophobicContact CD1-CB 3.88Å; I42-A49 HydrophobicContact CG2-CB 4.02Å; P45-A49 HydrophobicContact CB-CB 4.13Å; P45-A49 WeakPolarHBondContact O-CB 3.49Å; P45-A49 PolarHBondContact O-N 2.8Å; A49-V56 HydrophobicContact CB-CG1 3.99Å; A49-V57 WeakPolarHBondContact CA-O 3.39Å
50Q93.3Very high91.6Very high79 Ų7963.3 Ų63.337%0.36935%0.354SS..EExtended strand (participates in β ladder)trans-138.3138.3172.5-175.1155.2-100110.5V56 V57 I62Q50-V56 WeakPolarHBondContact O-CA 3.39Å; Q50-V57 PolarHBondContact N-O 3.39Å; Q50-V57 PolarHBondContact O-N 2.9Å; Q50-I62 HydrophobicContact CB-CD1 3.61Å; Q50-I62 VanDerWaalsContact CD-CD1 3.47Å; Q50-I62 HydrophobicContact CG-CD1 3.61Å
51C90.6Very high91.5Very high36 Ų3657.2 Ų57.224%0.24333%0.327CS..EExtended strand (participates in β ladder)trans-88.9120.8175.3-163.50000109.3V23 Q55V23-C51 HydrophobicContact CG1-CB 4.36Å; C51-Q55 CarbonylContact C-O 3.59Å; C51-Q55 WeakPolarHBondContact CA-O 3.41Å
52L84.8Confident91.2Very high66 Ų6654 Ų5435%0.34632%0.315SS..EExtended strand (participates in β ladder)trans-116.4110171.3-76.3168.5000107.8D54 Q55 V57 I62 L67L52-D54 PolarHBondContact O-N 3.47Å; L52-Q55 PolarHBondContact N-O 3.48Å; L52-Q55 PolarHBondContact O-N 3.32Å; L52-V57 HydrophobicContact CD1-CG2 3.85Å; L52-V57 HydrophobicContact CG-CG2 4.5Å; L52-I62 HydrophobicContact CD1-CD1 3.65Å; L52-I62 HydrophobicContact CD1-CG1 3.85Å; L52-I62 HydrophobicContact CG-CD1 4.06Å; L52-L67 HydrophobicContact CD1-CD1 3.97Å
53D78.4Confident90.9Very high99 Ų9958.6 Ų58.653%0.52934%0.34SS..THydrogen-bonded Turntrans55.3-102.7-172.1-66.3-12.3000112.4K78D53-K78 IonicContact OD1-NZ 2.7Å; D53-K78 PolarHBondContact OD1-NZ 3.13Å; D53-K78 WeakPolarHBondContact OD2-CD 3.36Å; D53-K78 WeakPolarHBondContact OD2-CE 3.47Å; D53-K78 IonicContact OD2-NZ 2.74Å; D53-K78 PolarHBondContact OD2-NZ 3.46Å
54D81.9Confident90.8Very high96 Ų9658.5 Ų58.551%0.51334%0.339SS..THydrogen-bonded Turntrans-11417.6-179.8-64.4-38.4000111.9F26 L52F26-D54 HydrophobicContact CZ-CB 4.2Å; L52-D54 PolarHBondContact O-N 3.47Å
55Q87.4Confident90.4Very high38 Ų3861.6 Ų61.618%0.17835%0.348CS..EExtended strand (participates in β ladder)trans-127.2141.1-173.8-55.3-160.226.600111.6D36 C51 L52 L83D36-Q55 HydrophobicContact CB-CB 4.19Å; D36-Q55 WeakPolarHBondContact OD2-CA 3.48Å; D36-Q55 WeakPolarHBondContact OD2-CB 3.37Å; C51-Q55 CarbonylContact C-O 3.59Å; C51-Q55 WeakPolarHBondContact CA-O 3.41Å; L52-Q55 PolarHBondContact N-O 3.48Å; L52-Q55 PolarHBondContact O-N 3.32Å; Q55-L83 PolarHBondContact NE2-O 3.22Å; Q55-L83 VanDerWaalsContact OE1-CB 3.25Å; Q55-L83 VanDerWaalsContact OE1-CD2 3.3Å
56V93.3Very high90.1Very high1 Ų164 Ų641%0.00636%0.357CS..EExtended strand (participates in β ladder)trans-110.1120177.6-176.60000109.9V23 F26 F28 L33 C35 D36 I42 A49 Q50V23-V56 HydrophobicContact CB-CG1 4.12Å; V23-V56 HydrophobicContact CB-CG2 4.28Å; V23-V56 HydrophobicContact CG1-CG1 3.66Å; V23-V56 HydrophobicContact CG1-CG2 4.15Å; V23-V56 HydrophobicContact CG2-CG1 4.4Å; F26-V56 HydrophobicContact CD2-CG2 3.96Å; F28-V56 HydrophobicContact CE2-CG2 4.04Å; F28-V56 HydrophobicContact CZ-CB 4.37Å; F28-V56 HydrophobicContact CZ-CG2 3.79Å; L33-V56 HydrophobicContact CD1-CB 4.18Å; L33-V56 HydrophobicContact CD1-CG1 3.66Å; C35-V56 CarbonylContact C-O 3.52Å; C35-V56 WeakPolarHBondContact CA-O 3.28Å; D36-V56 PolarHBondContact N-O 3.3Å; D36-V56 PolarHBondContact OD2-N 3.46Å; I42-V56 HydrophobicContact CD1-CG1 4.23Å; A49-V56 HydrophobicContact CB-CG1 3.99Å; Q50-V56 WeakPolarHBondContact O-CA 3.39Å
57V94.1Very high89.6Confident0 Ų060.7 Ų60.70%032%0.321CS..EExtended strand (participates in β ladder)trans-123.8162.5-174.7-60.20000111.7A49 Q50 L52 K59 I62 L67 L83A49-V57 WeakPolarHBondContact CA-O 3.39Å; Q50-V57 PolarHBondContact N-O 3.39Å; Q50-V57 PolarHBondContact O-N 2.9Å; L52-V57 HydrophobicContact CD1-CG2 3.85Å; L52-V57 HydrophobicContact CG-CG2 4.5Å; V57-K59 PolarHBondContact O-N 3.44Å; V57-I62 HydrophobicContact CG2-CD1 3.76Å; V57-I62 HydrophobicContact CG2-CG1 3.93Å; V57-L67 HydrophobicContact CB-CD1 3.95Å; V57-L67 HydrophobicContact CG1-CD1 3.93Å; V57-L67 HydrophobicContact CG2-CD1 3.72Å; V57-L83 HydrophobicContact CG1-CD1 3.42Å; V57-L83 VanDerWaalsContact CG1-CD1 3.42Å
58C95.4Very high88.2Confident22 Ų2258.2 Ų58.215%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-65.3131.5165-57.40000109.4C35 N48 A60 H61C35-C58 VanDerWaalsContact CB-SG 3.55Å; C35-C58 PolarHBondContact SG-N 3.3Å; N48-C58 CarbonylContact O-C 3.52Å; N48-C58 WeakPolarHBondContact O-CA 3.37Å; C58-A60 HydrophobicContact CB-CB 4.5Å; C58-A60 PolarHBondContact O-N 2.98Å; C58-A60 VanDerWaalsContact O-N 3.16Å; C58-H61 PolarHBondContact O-N 3.29Å
59K94Very high86.4Confident86 Ų8658.8 Ų58.837%0.37433%0.327SS..Hα-helixtrans-52.5-35.8172.8-171.5-178173.9-178.70112.2N48 V57 H61 I62 D63N48-K59 PolarHBondContact O-N 2.93Å; V57-K59 PolarHBondContact O-N 3.44Å; K59-H61 VanDerWaalsContact C-N 3.27Å; K59-H61 PolarHBondContact O-N 3.27Å; K59-I62 WeakPolarHBondContact O-CA 3.34Å; K59-I62 WeakPolarHBondContact O-CB 3.2Å; K59-I62 PolarHBondContact O-N 3.44Å; K59-D63 PolarHBondContact O-N 3.11Å
60A94.3Very high85.3Confident50 Ų5062.3 Ų62.341%0.41334%0.343SS..Hα-helixtrans-53.8-38.7175.700000113.8C58 I62 D63 N64C58-A60 HydrophobicContact CB-CB 4.5Å; C58-A60 PolarHBondContact O-N 2.98Å; C58-A60 VanDerWaalsContact O-N 3.16Å; A60-I62 VanDerWaalsContact C-N 3.28Å; A60-I62 PolarHBondContact O-N 2.99Å; A60-D63 PolarHBondContact O-N 2.98Å; A60-N64 VanDerWaalsContact O-CB 3.23Å; A60-N64 WeakPolarHBondContact O-CB 3.39Å; A60-N64 PolarHBondContact O-N 2.93Å; A60-N64 PolarHBondContact O-ND2 2.83Å
61H92.4Very high84.9Confident23 Ų2364.2 Ų64.211%0.10635%0.352CS..Hα-helixtrans-68.2-30.6178.3-61.6-54.4000112.1C35 Y37 C38 C58 K59 K65 E66 L67C35-H61 VanDerWaalsContact SG-CD2 3.54Å; Y37-H61 HydrophobicContact CD1-CB 4.26Å; Y37-H61 AromaticContact CD1-CD2 3.63Å; Y37-H61 AromaticContact CD1-CE1 3.56Å; Y37-H61 AromaticContact CD1-CG 3.58Å; Y37-H61 AromaticContact CD1-ND1 3.52Å; Y37-H61 AromaticContact CD1-NE2 3.65Å; Y37-H61 AromaticContact CE1-CE1 3.91Å; Y37-H61 AromaticContact CE1-ND1 3.69Å; C38-H61 WeakPolarHBondContact CB-NE2 3.09Å; C38-H61 PolarHBondContact SG-NE2 3.01Å; C58-H61 PolarHBondContact O-N 3.29Å; K59-H61 VanDerWaalsContact C-N 3.27Å; K59-H61 PolarHBondContact O-N 3.27Å; H61-K65 PolarHBondContact O-N 3.19Å; H61-E66 HydrophobicContact CB-CB 4.34Å; H61-E66 IonicContact CE1-OE2 2.57Å; H61-E66 IonicContact CG-OE2 2.7Å; H61-E66 IonicContact ND1-OE2 3.54Å; H61-E66 PolarHBondContact ND1-OE2 3.43Å; H61-E66 WeakPolarHBondContact O-CB 3.36Å; H61-E66 PolarHBondContact O-N 2.9Å; H61-L67 HydrophobicContact CB-CD1 3.73Å; H61-L67 HydrophobicContact CB-CD2 4.29Å; H61-L67 HydrophobicContact CB-CG 3.8Å
62I88.2Confident85Confident46 Ų4666.1 Ų66.124%0.23636%0.363CS..Hα-helixtrans-72.5-50.4174.5-56.8176.2000109.4Q50 L52 V57 K59 A60 N64 K65 L67Q50-I62 HydrophobicContact CB-CD1 3.61Å; Q50-I62 VanDerWaalsContact CD-CD1 3.47Å; Q50-I62 HydrophobicContact CG-CD1 3.61Å; L52-I62 HydrophobicContact CD1-CD1 3.65Å; L52-I62 HydrophobicContact CD1-CG1 3.85Å; L52-I62 HydrophobicContact CG-CD1 4.06Å; V57-I62 HydrophobicContact CG2-CD1 3.76Å; V57-I62 HydrophobicContact CG2-CG1 3.93Å; K59-I62 WeakPolarHBondContact O-CA 3.34Å; K59-I62 WeakPolarHBondContact O-CB 3.2Å; K59-I62 PolarHBondContact O-N 3.44Å; A60-I62 VanDerWaalsContact C-N 3.28Å; A60-I62 PolarHBondContact O-N 2.99Å; I62-N64 VanDerWaalsContact C-N 3.25Å; I62-N64 PolarHBondContact O-N 3.48Å; I62-K65 WeakPolarHBondContact O-CA 3.45Å; I62-K65 PolarHBondContact O-N 2.99Å; I62-L67 HydrophobicContact CG1-CD1 3.93Å
63D90Very high85.3Confident104 Ų10463 Ų6356%0.55635%0.347SS*.Hα-helixtrans-60.5-37.5-178.1-66.4-19.9000111.4K59 A60 K65K59-D63 PolarHBondContact O-N 3.11Å; A60-D63 PolarHBondContact O-N 2.98Å; D63-K65 PolarHBondContact O-N 3.43Å
64N90Very high85.9Confident105 Ų10562.8 Ų62.856%0.56135%0.349SS*.THydrogen-bonded Turntrans-79.90.2175.7-66.5-15.2000114A60 I62 E66A60-N64 VanDerWaalsContact O-CB 3.23Å; A60-N64 WeakPolarHBondContact O-CB 3.39Å; A60-N64 PolarHBondContact O-N 2.93Å; A60-N64 PolarHBondContact O-ND2 2.83Å; I62-N64 VanDerWaalsContact C-N 3.25Å; I62-N64 PolarHBondContact O-N 3.48Å; N64-E66 HydrophobicContact CB-CG 3.81Å; N64-E66 VanDerWaalsContact CB-OE1 3.31Å; N64-E66 WeakPolarHBondContact CB-OE1 3.39Å; N64-E66 PolarHBondContact ND2-OE1 3.26Å; N64-E66 PolarHBondContact O-N 3.36Å
65K84.5Confident86.4Confident168 Ų16860.8 Ų60.873%0.7334%0.34SS*.THydrogen-bonded Turntrans56.330-176.5-55.5179.9178.2-177.70114H61 I62 D63 L67H61-K65 PolarHBondContact O-N 3.19Å; I62-K65 WeakPolarHBondContact O-CA 3.45Å; I62-K65 PolarHBondContact O-N 2.99Å; D63-K65 PolarHBondContact O-N 3.43Å; K65-L67 PolarHBondContact O-N 2.89Å
66E85.7Confident86.7Confident74 Ų7461.4 Ų61.435%0.34635%0.348SS..THydrogen-bonded Turntrans-73.9-16.4177.3-65.2170.9-155.400111.8Y37 H61 N64 P82Y37-E66 HydrophobicContact CE1-CB 4.37Å; H61-E66 HydrophobicContact CB-CB 4.34Å; H61-E66 IonicContact CE1-OE2 2.57Å; H61-E66 IonicContact CG-OE2 2.7Å; H61-E66 IonicContact ND1-OE2 3.54Å; H61-E66 PolarHBondContact ND1-OE2 3.43Å; H61-E66 WeakPolarHBondContact O-CB 3.36Å; H61-E66 PolarHBondContact O-N 2.9Å; N64-E66 HydrophobicContact CB-CG 3.81Å; N64-E66 VanDerWaalsContact CB-OE1 3.31Å; N64-E66 WeakPolarHBondContact CB-OE1 3.39Å; N64-E66 PolarHBondContact ND2-OE1 3.26Å; N64-E66 PolarHBondContact O-N 3.36Å; E66-P82 WeakPolarHBondContact O-CG 3.49Å
67L79.2Confident86.6Confident9 Ų963.8 Ų63.85%0.04737%0.373CS..THydrogen-bonded Turntrans-105.2-5.6-173-59.8-179.6000115.2Y37 L52 V57 H61 I62 K65 T81 L83Y37-L67 HydrophobicContact CD1-CD2 4.06Å; Y37-L67 HydrophobicContact CD2-CD2 3.57Å; Y37-L67 HydrophobicContact CE1-CD2 4.4Å; Y37-L67 HydrophobicContact CE2-CD2 3.98Å; Y37-L67 HydrophobicContact CG-CD2 3.61Å; L52-L67 HydrophobicContact CD1-CD1 3.97Å; V57-L67 HydrophobicContact CB-CD1 3.95Å; V57-L67 HydrophobicContact CG1-CD1 3.93Å; V57-L67 HydrophobicContact CG2-CD1 3.72Å; H61-L67 HydrophobicContact CB-CD1 3.73Å; H61-L67 HydrophobicContact CB-CD2 4.29Å; H61-L67 HydrophobicContact CB-CG 3.8Å; I62-L67 HydrophobicContact CG1-CD1 3.93Å; K65-L67 PolarHBondContact O-N 2.89Å; L67-T81 WeakPolarHBondContact O-CA 3.38Å; L67-T81 WeakPolarHBondContact O-CB 3.45Å; L67-T81 WeakPolarHBondContact O-CG2 3.32Å; L67-L83 HydrophobicContact CD1-CD1 4.05Å; L67-L83 HydrophobicContact CD2-CD1 3.77Å; L67-L83 HydrophobicContact CD2-CG 4Å; L67-L83 HydrophobicContact CG-CD1 4.46Å
68G64.1Low86.3Confident31 Ų3168.2 Ų68.232%0.3239%0.392SS..  trans-152.5109-174.600000113.8
69A58.2Low86Confident85 Ų8571.9 Ų71.970%0.70241%0.408SS*.  trans-162.321.417200000114.1
70N71.3Confident85.7Confident91 Ų9168 Ų6849%0.48739%0.391SS..SBendtrans-125.6168.7-170.8-58.1-58000112.8F80N70-F80 HydrophobicContact CB-CB 4.2Å; N70-F80 WeakPolarHBondContact CB-O 3.48Å; N70-F80 PolarHBondContact ND2-O 2.89Å
71E85.4Confident85.2Confident118 Ų11867.6 Ų67.655%0.55138%0.383SS*.  trans-41.4152.9174.2-61.1171.9148.100112.8F80 R94E71-F80 HydrophobicContact CB-CD2 4.09Å; E71-F80 HydrophobicContact CB-CE2 4.2Å; E71-F80 WeakPolarHBondContact O-CD2 3.35Å; E71-F80 WeakPolarHBondContact O-CE2 3.17Å; E71-F80 WeakPolarHBondContact O-CG 3.3Å; E71-F80 PolarHBondContact O-N 3.35Å; E71-R94 WeakPolarHBondContact OE2-CD 3.46Å; E71-R94 IonicContact OE2-CZ 2.73Å; E71-R94 IonicContact OE2-NE 3.14Å; E71-R94 IonicContact OE2-NH1 3.57Å; E71-R94 PolarHBondContact OE2-NH1 3.11Å
72T91.4Very high84.8Confident77 Ų7770 Ų7047%0.47240%0.401SS..BIsolated β-bridgetrans-96.8147.6-178.253.10000112.4T74 K78 E79T72-T74 PolarHBondContact O-N 2.79Å; T72-K78 WeakPolarHBondContact CA-O 3.46Å; T72-E79 HydrophobicContact CG2-CG 3.81Å
73C93.1Very high84.5Confident0 Ų068.7 Ų68.70%039%0.394CS..  trans-68.3123.2171175.50000110.5T75 C76 G77 K78 F80 H96 C99C73-T75 PolarHBondContact O-N 2.99Å; C73-T75 VanDerWaalsContact O-N 3.09Å; C73-C76 VanDerWaalsContact CB-SG 3.55Å; C73-C76 PolarHBondContact O-N 3.49Å; C73-G77 VanDerWaalsContact O-CA 3.31Å; C73-G77 WeakPolarHBondContact O-CA 3.37Å; C73-G77 PolarHBondContact O-N 3.35Å; C73-K78 PolarHBondContact N-O 3.17Å; C73-F80 HydrophobicContact CB-CE1 3.64Å; C73-F80 HydrophobicContact CB-CZ 3.87Å; C73-H96 WeakPolarHBondContact CB-CE1 3.34Å; C73-H96 VanDerWaalsContact CB-ND1 3.3Å; C73-H96 WeakPolarHBondContact CB-ND1 3.42Å; C73-H96 PolarHBondContact SG-N 3.27Å; C73-H96 VanDerWaalsContact SG-N 3.42Å; C73-H96 PolarHBondContact SG-ND1 3.28Å; C73-C99 VanDerWaalsContact SG-CB 3.51Å
74T90.8Very high84.3Confident95 Ų9565.7 Ų65.758%0.58338%0.378SS*.THydrogen-bonded Turntrans-60.6-24.7-177.7-53.70000114.2T72 V93 R94 F95T72-T74 PolarHBondContact O-N 2.79Å; T74-V93 HydrophobicContact CG2-CG1 4.09Å; T74-V93 WeakPolarHBondContact OG1-CG1 3.42Å; T74-R94 PolarHBondContact N-O 3.48Å; T74-F95 HydrophobicContact CG2-CE1 4.44Å
75T92.6Very high83.9Confident53 Ų5369.6 Ų69.633%0.32539%0.39SS..THydrogen-bonded Turntrans-90.4-42.1-177.8-53.30000113.7C73 F95 C99 R101C73-T75 PolarHBondContact O-N 2.99Å; C73-T75 VanDerWaalsContact O-N 3.09Å; T75-F95 VanDerWaalsContact OG1-CD1 3.26Å; T75-F95 WeakPolarHBondContact OG1-CD1 3.5Å; T75-F95 WeakPolarHBondContact OG1-CE1 3.49Å; T75-C99 WeakPolarHBondContact CB-O 3.34Å; T75-C99 HydrophobicContact CG2-CB 4.25Å; T75-C99 WeakPolarHBondContact CG2-O 3.37Å; T75-C99 PolarHBondContact OG1-O 3.49Å; T75-R101 HydrophobicContact CG2-CG 4.23Å
76C92.5Very high84Confident51 Ų5165.2 Ų65.235%0.34537%0.371SS..THydrogen-bonded Turntrans-103.9-9.8-177.370.40000114C73 K78 H96C73-C76 VanDerWaalsContact CB-SG 3.55Å; C73-C76 PolarHBondContact O-N 3.49Å; C76-K78 HydrophobicContact CB-CG 4.47Å; C76-K78 PolarHBondContact O-N 2.88Å; C76-H96 PolarHBondContact SG-CE1 3.44Å; C76-H96 PolarHBondContact SG-ND1 2.59Å
77G90.5Very high84.2Confident52 Ų5263.8 Ų63.854%0.53637%0.365SS..  trans74.1-5.4-179.300000115.3C73C73-G77 VanDerWaalsContact O-CA 3.31Å; C73-G77 WeakPolarHBondContact O-CA 3.37Å; C73-G77 PolarHBondContact O-N 3.35Å
78K88.6Confident84.8Confident92 Ų9264.5 Ų64.540%0.437%0.369SS..PPolyproline II helixtrans-77.7144.6-179.5-54.4-176.7-168.9179.50111.1D53 T72 C73 C76D53-K78 IonicContact OD1-NZ 2.7Å; D53-K78 PolarHBondContact OD1-NZ 3.13Å; D53-K78 WeakPolarHBondContact OD2-CD 3.36Å; D53-K78 WeakPolarHBondContact OD2-CE 3.47Å; D53-K78 IonicContact OD2-NZ 2.74Å; D53-K78 PolarHBondContact OD2-NZ 3.46Å; T72-K78 WeakPolarHBondContact CA-O 3.46Å; C73-K78 PolarHBondContact N-O 3.17Å; C76-K78 HydrophobicContact CB-CG 4.47Å; C76-K78 PolarHBondContact O-N 2.88Å
79E89Confident86Confident100 Ų10066.9 Ų66.947%0.46738%0.377SS..BIsolated β-bridgetrans-64.2146.5173.5-66.4-179.3-175.100111T72T72-E79 HydrophobicContact CG2-CG 3.81Å
80F87.7Confident87.5Confident5 Ų563 Ų632%0.02235%0.345CS..PPolyproline II helixtrans-73.2131.7168.6-59.2-52.3000110.8N70 E71 C73 D84 I87 R94 H96N70-F80 HydrophobicContact CB-CB 4.2Å; N70-F80 WeakPolarHBondContact CB-O 3.48Å; N70-F80 PolarHBondContact ND2-O 2.89Å; E71-F80 HydrophobicContact CB-CD2 4.09Å; E71-F80 HydrophobicContact CB-CE2 4.2Å; E71-F80 WeakPolarHBondContact O-CD2 3.35Å; E71-F80 WeakPolarHBondContact O-CE2 3.17Å; E71-F80 WeakPolarHBondContact O-CG 3.3Å; E71-F80 PolarHBondContact O-N 3.35Å; C73-F80 HydrophobicContact CB-CE1 3.64Å; C73-F80 HydrophobicContact CB-CZ 3.87Å; F80-D84 WeakPolarHBondContact CA-OD2 3.1Å; F80-I87 HydrophobicContact CD1-CD1 3.19Å; F80-I87 HydrophobicContact CD1-CG1 3.9Å; F80-I87 HydrophobicContact CD1-CG2 4.35Å; F80-I87 HydrophobicContact CE1-CD1 3.47Å; F80-I87 VanDerWaalsContact CE1-CD1 3.47Å; F80-I87 HydrophobicContact CE1-CG1 4.24Å; F80-I87 HydrophobicContact CE1-CG2 3.98Å; F80-I87 HydrophobicContact CE2-CG2 4.25Å; F80-I87 HydrophobicContact CG-CD1 4Å; F80-I87 HydrophobicContact CG-CG1 4.24Å; F80-I87 HydrophobicContact CZ-CD1 4.47Å; F80-I87 HydrophobicContact CZ-CG2 3.94Å; F80-R94 HydrophobicContact CE2-CB 3.43Å; F80-R94 VanDerWaalsContact CE2-CB 3.43Å; F80-R94 HydrophobicContact CE2-CG 4.4Å; F80-R94 HydrophobicContact CZ-CB 3.53Å; F80-H96 AromaticContact CD1-CD2 3.91Å; F80-H96 AromaticContact CD1-NE2 3.51Å; F80-H96 AromaticContact CE1-CD2 3.97Å; F80-H96 AromaticContact CE1-NE2 3.8Å
81T84.9Confident88.5Confident40 Ų4062.9 Ų62.925%0.24534%0.34CS..  trans-112.3156-179.569.40000109L67 L83 D84L67-T81 WeakPolarHBondContact O-CA 3.38Å; L67-T81 WeakPolarHBondContact O-CB 3.45Å; L67-T81 WeakPolarHBondContact O-CG2 3.32Å; T81-L83 PolarHBondContact O-N 2.83Å; T81-L83 WeakPolarHBondContact OG1-CB 3.39Å; T81-L83 PolarHBondContact OG1-N 2.84Å; T81-D84 PolarHBondContact N-OD2 2.74Å; T81-D84 PolarHBondContact O-N 3.3Å; T81-D84 PolarHBondContact OG1-N 3.48Å; T81-D84 PolarHBondContact OG1-OD2 3.11Å
82P82.5Confident88.6Confident74 Ų7460.4 Ų60.448%0.48135%0.347SS..THydrogen-bonded Turntrans-58.1-13.4169.9-26.337.1000114.2Y37 E66Y37-P82 HydrophobicContact CD2-CB 4.24Å; Y37-P82 HydrophobicContact CE2-CB 3.64Å; Y37-P82 HydrophobicContact CE2-CG 4.2Å; E66-P82 WeakPolarHBondContact O-CG 3.49Å
83L83.3Confident88.5Confident18 Ų1859.5 Ų59.59%0.09434%0.341CS..THydrogen-bonded Turntrans-85.4-11.7179.6-74.4174.4000113.6D36 Y37 Q55 V57 L67 T81 K85D36-L83 HydrophobicContact CB-CD2 4.21Å; Y37-L83 VanDerWaalsContact CA-CD2 3.45Å; Y37-L83 HydrophobicContact CD2-CD2 3.95Å; Y37-L83 HydrophobicContact CD2-CG 4.21Å; Y37-L83 HydrophobicContact CG-CD2 4.28Å; Q55-L83 PolarHBondContact NE2-O 3.22Å; Q55-L83 VanDerWaalsContact OE1-CB 3.25Å; Q55-L83 VanDerWaalsContact OE1-CD2 3.3Å; V57-L83 HydrophobicContact CG1-CD1 3.42Å; V57-L83 VanDerWaalsContact CG1-CD1 3.42Å; L67-L83 HydrophobicContact CD1-CD1 4.05Å; L67-L83 HydrophobicContact CD2-CD1 3.77Å; L67-L83 HydrophobicContact CD2-CG 4Å; L67-L83 HydrophobicContact CG-CD1 4.46Å; T81-L83 PolarHBondContact O-N 2.83Å; T81-L83 WeakPolarHBondContact OG1-CB 3.39Å; T81-L83 PolarHBondContact OG1-N 2.84Å; L83-K85 PolarHBondContact O-N 3.44Å
84D85.7Confident88.5Confident42 Ų4263.8 Ų63.823%0.22536%0.357CS..  trans-69.9105.4178.3-73.5-59.6000110.7F80 T81 K86 I87 H96F80-D84 WeakPolarHBondContact CA-OD2 3.1Å; T81-D84 PolarHBondContact N-OD2 2.74Å; T81-D84 PolarHBondContact O-N 3.3Å; T81-D84 PolarHBondContact OG1-N 3.48Å; T81-D84 PolarHBondContact OG1-OD2 3.11Å; D84-K86 PolarHBondContact O-N 3.23Å; D84-I87 HydrophobicContact CB-CD1 3.48Å; D84-I87 VanDerWaalsContact CB-CD1 3.48Å; D84-I87 HydrophobicContact CB-CG1 4.15Å; D84-H96 VanDerWaalsContact CG-CD2 3.45Å; D84-H96 IonicContact OD1-CD2 3.61Å; D84-H96 PolarHBondContact OD1-CD2 3.39Å; D84-H96 IonicContact OD1-NE2 3.54Å; D84-H96 PolarHBondContact OD1-NE2 2.94Å; D84-H96 IonicContact OD2-CD2 3.89Å; D84-H96 IonicContact OD2-NE2 3.44Å
85K80.9Confident88.5Confident186 Ų18660.7 Ų60.781%0.80934%0.335SS*.SBendtrans-49.8-35.8-177.9-62.8-173.7179.8-176.40112.9L83L83-K85 PolarHBondContact O-N 3.44Å
86K87.6Confident88.4Confident77 Ų7759.1 Ų59.134%0.33532%0.324SS..  trans-158.9122.6-177.8-169167.6-168.2154.80112.5D84 I88 Y97 E111D84-K86 PolarHBondContact O-N 3.23Å; K86-I88 HydrophobicContact CD-CD1 3.97Å; K86-I88 HydrophobicContact CG-CD1 3.84Å; K86-Y97 HydrophobicContact CB-CD1 4.11Å; K86-Y97 HydrophobicContact CB-CG 4.27Å; K86-Y97 PolarHBondContact O-N 2.83Å; K86-E111 WeakPolarHBondContact CE-OE2 3.12Å; K86-E111 IonicContact NZ-OE1 3.66Å; K86-E111 PolarHBondContact NZ-OE1 2.7Å; K86-E111 IonicContact NZ-OE2 2.66Å; K86-E111 PolarHBondContact NZ-OE2 3.21Å
87I89.9Confident88.2Confident43 Ų4359.8 Ų59.822%0.22132%0.32CS..EExtended strand (participates in β ladder)trans-104.3129.9170.3-55.6-49.2000108.8F80 D84 R94 F95F80-I87 HydrophobicContact CD1-CD1 3.19Å; F80-I87 HydrophobicContact CD1-CG1 3.9Å; F80-I87 HydrophobicContact CD1-CG2 4.35Å; F80-I87 HydrophobicContact CE1-CD1 3.47Å; F80-I87 VanDerWaalsContact CE1-CD1 3.47Å; F80-I87 HydrophobicContact CE1-CG1 4.24Å; F80-I87 HydrophobicContact CE1-CG2 3.98Å; F80-I87 HydrophobicContact CE2-CG2 4.25Å; F80-I87 HydrophobicContact CG-CD1 4Å; F80-I87 HydrophobicContact CG-CG1 4.24Å; F80-I87 HydrophobicContact CZ-CD1 4.47Å; F80-I87 HydrophobicContact CZ-CG2 3.94Å; D84-I87 HydrophobicContact CB-CD1 3.48Å; D84-I87 VanDerWaalsContact CB-CD1 3.48Å; D84-I87 HydrophobicContact CB-CG1 4.15Å; I87-R94 HydrophobicContact CG2-CB 4.14Å; I87-F95 CarbonylContact C-O 3.53Å; I87-F95 WeakPolarHBondContact CA-O 3.3Å
88I89.8Confident88.2Confident24 Ų2464.9 Ų64.912%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-105.6131.7178.5-55.2-62.1000108.3K86 I90 R94 F95 V100K86-I88 HydrophobicContact CD-CD1 3.97Å; K86-I88 HydrophobicContact CG-CD1 3.84Å; I88-I90 HydrophobicContact CG2-CD1 4.13Å; I88-I90 HydrophobicContact CG2-CG1 3.72Å; I88-R94 CarbonylContact O-C 3.54Å; I88-R94 WeakPolarHBondContact O-CA 3.36Å; I88-F95 PolarHBondContact N-O 3.37Å; I88-F95 PolarHBondContact O-N 3.14Å; I88-V100 HydrophobicContact CB-CG2 4.09Å; I88-V100 HydrophobicContact CG1-CG2 4.33Å; I88-V100 HydrophobicContact CG2-CG2 4.17Å
89T90.5Very high88.4Confident81 Ų8161.3 Ų61.350%0.49731%0.31SS..EExtended strand (participates in β ladder)trans-108.7120.1172.6-53.90000109.1V93 R94T89-V93 CarbonylContact C-O 3.54Å; T89-V93 VanDerWaalsContact CA-O 3.31Å; T89-V93 WeakPolarHBondContact CA-O 3.33Å; T89-R94 HydrophobicContact CG2-CG 4.26Å
90I90.3Very high88.6Confident5 Ų556.8 Ų56.83%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-123.7118.2176.8-45.5-178.3000107.7I88 G92 V93 F95 V100 W114 A121I88-I90 HydrophobicContact CG2-CD1 4.13Å; I88-I90 HydrophobicContact CG2-CG1 3.72Å; I90-G92 PolarHBondContact O-N 3.31Å; I90-V93 PolarHBondContact N-O 3.48Å; I90-V93 PolarHBondContact O-N 2.89Å; I90-F95 HydrophobicContact CB-CE2 4.22Å; I90-F95 HydrophobicContact CD1-CD2 4.47Å; I90-F95 HydrophobicContact CD1-CE2 4.47Å; I90-F95 HydrophobicContact CG1-CD2 4.32Å; I90-F95 HydrophobicContact CG1-CE2 4.31Å; I90-V100 HydrophobicContact CD1-CG1 3.63Å; I90-V100 HydrophobicContact CD1-CG2 4.11Å; I90-W114 HydrophobicContact CD1-CD2 3.92Å; I90-W114 HydrophobicContact CD1-CE3 4.39Å; I90-W114 HydrophobicContact CD1-CG 4.13Å; I90-W114 HydrophobicContact CD1-CZ2 4.42Å; I90-W114 HydrophobicContact CG1-CZ2 4.21Å; I90-W114 HydrophobicContact CG2-CE3 4.04Å; I90-W114 HydrophobicContact CG2-CH2 3.84Å; I90-W114 HydrophobicContact CG2-CZ2 4.29Å; I90-W114 HydrophobicContact CG2-CZ3 3.7Å; I90-A121 HydrophobicContact CD1-CB 3.81Å; I90-A121 HydrophobicContact CG2-CB 4.16Å
91F90.9Very high88.9Confident87 Ų8761 Ų6138%0.38231%0.305SS..THydrogen-bonded Turntrans5337.3179.9-52.4-60.9000113.8V93 Q119F91-V93 VanDerWaalsContact C-N 3.26Å; F91-V93 PolarHBondContact O-N 3.37Å; F91-Q119 HydrophobicContact CB-CB 4.46Å; F91-Q119 VanDerWaalsContact CE1-OE1 3.28Å; F91-Q119 HydrophobicContact CG-CB 4.36Å
92G88.9Confident89.4Confident67 Ų6759.2 Ų59.269%0.69129%0.293SS*.THydrogen-bonded Turntrans82.6-8.4-178.100000115I90I90-G92 PolarHBondContact O-N 3.31Å
93V89.1Confident90Very high58 Ų5858.5 Ų58.535%0.35229%0.294SS..EExtended strand (participates in β ladder)trans-93.7135.8177.6-1720000110T74 T89 I90 F91 F95T74-V93 HydrophobicContact CG2-CG1 4.09Å; T74-V93 WeakPolarHBondContact OG1-CG1 3.42Å; T89-V93 CarbonylContact C-O 3.54Å; T89-V93 VanDerWaalsContact CA-O 3.31Å; T89-V93 WeakPolarHBondContact CA-O 3.33Å; I90-V93 PolarHBondContact N-O 3.48Å; I90-V93 PolarHBondContact O-N 2.89Å; F91-V93 VanDerWaalsContact C-N 3.26Å; F91-V93 PolarHBondContact O-N 3.37Å; V93-F95 HydrophobicContact CB-CE2 3.74Å; V93-F95 HydrophobicContact CB-CZ 3.86Å; V93-F95 HydrophobicContact CG1-CE1 4.03Å; V93-F95 HydrophobicContact CG1-CE2 3.62Å; V93-F95 HydrophobicContact CG1-CZ 3.33Å; V93-F95 WeakPolarHBondContact O-CD2 3.49Å; V93-F95 WeakPolarHBondContact O-CE2 3.3Å
94R91.5Very high90.5Very high89 Ų8961.1 Ų61.134%0.33631%0.308SS..EExtended strand (participates in β ladder)trans-105.2140.8-175.1-62.1-179.277.1174-0.4112.2E71 T74 F80 I87 I88 T89E71-R94 WeakPolarHBondContact OE2-CD 3.46Å; E71-R94 IonicContact OE2-CZ 2.73Å; E71-R94 IonicContact OE2-NE 3.14Å; E71-R94 IonicContact OE2-NH1 3.57Å; E71-R94 PolarHBondContact OE2-NH1 3.11Å; T74-R94 PolarHBondContact N-O 3.48Å; F80-R94 HydrophobicContact CE2-CB 3.43Å; F80-R94 VanDerWaalsContact CE2-CB 3.43Å; F80-R94 HydrophobicContact CE2-CG 4.4Å; F80-R94 HydrophobicContact CZ-CB 3.53Å; I87-R94 HydrophobicContact CG2-CB 4.14Å; I88-R94 CarbonylContact O-C 3.54Å; I88-R94 WeakPolarHBondContact O-CA 3.36Å; T89-R94 HydrophobicContact CG2-CG 4.26Å
95F91.8Very high90.9Very high30 Ų3062.2 Ų62.213%0.13232%0.318CS..EExtended strand (participates in β ladder)trans-138.5148.6-177.7-53-89.5000110.8T74 T75 I87 I88 I90 V93 C99 V100T74-F95 HydrophobicContact CG2-CE1 4.44Å; T75-F95 VanDerWaalsContact OG1-CD1 3.26Å; T75-F95 WeakPolarHBondContact OG1-CD1 3.5Å; T75-F95 WeakPolarHBondContact OG1-CE1 3.49Å; I87-F95 CarbonylContact C-O 3.53Å; I87-F95 WeakPolarHBondContact CA-O 3.3Å; I88-F95 PolarHBondContact N-O 3.37Å; I88-F95 PolarHBondContact O-N 3.14Å; I90-F95 HydrophobicContact CB-CE2 4.22Å; I90-F95 HydrophobicContact CD1-CD2 4.47Å; I90-F95 HydrophobicContact CD1-CE2 4.47Å; I90-F95 HydrophobicContact CG1-CD2 4.32Å; I90-F95 HydrophobicContact CG1-CE2 4.31Å; V93-F95 HydrophobicContact CB-CE2 3.74Å; V93-F95 HydrophobicContact CB-CZ 3.86Å; V93-F95 HydrophobicContact CG1-CE1 4.03Å; V93-F95 HydrophobicContact CG1-CE2 3.62Å; V93-F95 HydrophobicContact CG1-CZ 3.33Å; V93-F95 WeakPolarHBondContact O-CD2 3.49Å; V93-F95 WeakPolarHBondContact O-CE2 3.3Å; F95-C99 HydrophobicContact CB-CB 4.35Å; F95-V100 HydrophobicContact CB-CG2 3.95Å; F95-V100 HydrophobicContact CD2-CG2 4.5Å; F95-V100 HydrophobicContact CG-CG2 4.31Å
96H91Very high91.6Very high20 Ų2058.5 Ų58.59%0.09331%0.307CS..EExtended strand (participates in β ladder)trans-58.3145.7154.5-57.6107.3000108.7C73 C76 F80 D84 R98 C99C73-H96 WeakPolarHBondContact CB-CE1 3.34Å; C73-H96 VanDerWaalsContact CB-ND1 3.3Å; C73-H96 WeakPolarHBondContact CB-ND1 3.42Å; C73-H96 PolarHBondContact SG-N 3.27Å; C73-H96 VanDerWaalsContact SG-N 3.42Å; C73-H96 PolarHBondContact SG-ND1 3.28Å; C76-H96 PolarHBondContact SG-CE1 3.44Å; C76-H96 PolarHBondContact SG-ND1 2.59Å; F80-H96 AromaticContact CD1-CD2 3.91Å; F80-H96 AromaticContact CD1-NE2 3.51Å; F80-H96 AromaticContact CE1-CD2 3.97Å; F80-H96 AromaticContact CE1-NE2 3.8Å; D84-H96 VanDerWaalsContact CG-CD2 3.45Å; D84-H96 IonicContact OD1-CD2 3.61Å; D84-H96 PolarHBondContact OD1-CD2 3.39Å; D84-H96 IonicContact OD1-NE2 3.54Å; D84-H96 PolarHBondContact OD1-NE2 2.94Å; D84-H96 IonicContact OD2-CD2 3.89Å; D84-H96 IonicContact OD2-NE2 3.44Å; H96-R98 PolarHBondContact O-N 3.36Å; H96-R98 VanDerWaalsContact O-N 3.13Å; H96-C99 HydrophobicContact CB-CB 3.86Å; H96-C99 WeakPolarHBondContact O-CA 3.49Å; H96-C99 VanDerWaalsContact O-CB 3.27Å; H96-C99 WeakPolarHBondContact O-CB 3.45Å; H96-C99 PolarHBondContact O-N 3.17Å
97Y88.5Confident92Very high65 Ų6556.7 Ų56.726%0.25531%0.306SS..G310 helixtrans-55.8-35.5-17983-83.5000113.5K86 C99K86-Y97 HydrophobicContact CB-CD1 4.11Å; K86-Y97 HydrophobicContact CB-CG 4.27Å; K86-Y97 PolarHBondContact O-N 2.83Å; Y97-C99 VanDerWaalsContact C-N 3.27Å; Y97-C99 PolarHBondContact O-N 3.33Å
98R89.8Confident92.2Very high160 Ų16058.5 Ų58.560%0.60432%0.321SS*.G310 helixtrans-76.2-12.9175.1-63-173.8173.6172.6-0.3114.2H96H96-R98 PolarHBondContact O-N 3.36Å; H96-R98 VanDerWaalsContact O-N 3.13Å
99C92.8Very high92.3Very high17 Ų1757.7 Ų57.712%0.11532%0.317CS..G310 helixtrans-91.5-7.3-177.4-79.70000112.8C73 T75 F95 H96 Y97 R101C73-C99 VanDerWaalsContact SG-CB 3.51Å; T75-C99 WeakPolarHBondContact CB-O 3.34Å; T75-C99 HydrophobicContact CG2-CB 4.25Å; T75-C99 WeakPolarHBondContact CG2-O 3.37Å; T75-C99 PolarHBondContact OG1-O 3.49Å; F95-C99 HydrophobicContact CB-CB 4.35Å; H96-C99 HydrophobicContact CB-CB 3.86Å; H96-C99 WeakPolarHBondContact O-CA 3.49Å; H96-C99 VanDerWaalsContact O-CB 3.27Å; H96-C99 WeakPolarHBondContact O-CB 3.45Å; H96-C99 PolarHBondContact O-N 3.17Å; Y97-C99 VanDerWaalsContact C-N 3.27Å; Y97-C99 PolarHBondContact O-N 3.33Å; C99-R101 PolarHBondContact O-N 2.94Å
100V92.9Very high91.9Very high5 Ų559.1 Ų59.13%0.0332%0.318CS..  trans-65.5123.2174.2-176.90000109.4I88 I90 F95 V109I88-V100 HydrophobicContact CB-CG2 4.09Å; I88-V100 HydrophobicContact CG1-CG2 4.33Å; I88-V100 HydrophobicContact CG2-CG2 4.17Å; I90-V100 HydrophobicContact CD1-CG1 3.63Å; I90-V100 HydrophobicContact CD1-CG2 4.11Å; F95-V100 HydrophobicContact CB-CG2 3.95Å; F95-V100 HydrophobicContact CD2-CG2 4.5Å; F95-V100 HydrophobicContact CG-CG2 4.31Å; V100-V109 HydrophobicContact CG1-CB 4.32Å; V100-V109 PolarHBondContact O-N 3.45Å
101R94.9Very high91.1Very high94 Ų9462.9 Ų62.936%0.35534%0.336SS..BIsolated β-bridgetrans-127.9146.8178.8-62.4-175.8-170.5-78.6-4.2110.5T75 C99 A103 N106 A107T75-R101 HydrophobicContact CG2-CG 4.23Å; C99-R101 PolarHBondContact O-N 2.94Å; R101-A103 PolarHBondContact O-N 3.2Å; R101-N106 WeakPolarHBondContact CD-OD1 3.39Å; R101-A107 WeakPolarHBondContact CA-O 3.31Å
102C95.5Very high90.6Very high1 Ų164.9 Ų64.91%0.00735%0.35CS..  trans-62.6125.9173177.20000109.8D104 C105 N106 A107 V109 A121 C123 C126C102-D104 PolarHBondContact O-N 3.32Å; C102-D104 PolarHBondContact SG-N 3.29Å; C102-C105 WeakPolarHBondContact CB-SG 3.49Å; C102-C105 PolarHBondContact SG-SG 3.15Å; C102-N106 WeakPolarHBondContact O-CA 3.34Å; C102-N106 PolarHBondContact O-N 2.94Å; C102-A107 PolarHBondContact N-O 3.43Å; C102-V109 HydrophobicContact CB-CG2 3.99Å; C102-A121 CarbonylContact C-O 3.56Å; C102-A121 WeakPolarHBondContact CA-O 3.5Å; C102-C123 HydrophobicContact CB-CB 4.03Å; C102-C123 PolarHBondContact SG-N 2.89Å; C102-C126 VanDerWaalsContact SG-SG 3.68Å
103A94.1Very high90.6Very high60 Ų6067 Ų6750%0.49634%0.342SS..THydrogen-bonded Turntrans-64-22.1-179.800000113.7R101 R120 A121 L122R101-A103 PolarHBondContact O-N 3.2Å; A103-R120 HydrophobicContact CB-CB 3.88Å; A103-R120 HydrophobicContact CB-CG 4.39Å; A103-A121 PolarHBondContact N-O 2.98Å; A103-L122 HydrophobicContact CB-CD2 3.94Å
104D93.5Very high90.7Very high73 Ų7367.9 Ų67.939%0.3934%0.339SS..THydrogen-bonded Turntrans-95.2-38.6-177.8-73.1-7.8000113.3C102 R120 L122 C126C102-D104 PolarHBondContact O-N 3.32Å; C102-D104 PolarHBondContact SG-N 3.29Å; D104-R120 IonicContact OD1-CZ 2.61Å; D104-R120 IonicContact OD1-NH1 3.53Å; D104-R120 PolarHBondContact OD1-NH1 3.15Å; D104-R120 IonicContact OD1-NH2 2.75Å; D104-L122 HydrophobicContact CB-CD2 3.97Å; D104-L122 VanDerWaalsContact CG-CD2 3.45Å; D104-L122 WeakPolarHBondContact OD2-CD2 3.14Å; D104-C126 HydrophobicContact CB-CB 4Å
105C95.6Very high90.8Very high64 Ų6466.8 Ų66.843%0.43234%0.338SS..THydrogen-bonded Turntrans-116.4-2.2-176.370.70000114.5C102 A107C102-C105 WeakPolarHBondContact CB-SG 3.49Å; C102-C105 PolarHBondContact SG-SG 3.15Å; C105-A107 PolarHBondContact O-N 2.87Å; C105-A107 VanDerWaalsContact SG-CB 3.54Å
106N95.1Very high90.7Very high108 Ų10866.8 Ų66.858%0.57835%0.346SS*.  trans58.77.6-177.8-157.533.1000115.8R101 C102R101-N106 WeakPolarHBondContact CD-OD1 3.39Å; C102-N106 WeakPolarHBondContact O-CA 3.34Å; C102-N106 PolarHBondContact O-N 2.94Å
107A95.2Very high90.6Very high39 Ų3968.9 Ų68.932%0.32235%0.354SS..  trans-63.2140175.300000110.3R101 C102 C105 V109R101-A107 WeakPolarHBondContact CA-O 3.31Å; C102-A107 PolarHBondContact N-O 3.43Å; C105-A107 PolarHBondContact O-N 2.87Å; C105-A107 VanDerWaalsContact SG-CB 3.54Å; A107-V109 PolarHBondContact O-N 3.1Å
108P93.8Very high90.6Very high81 Ų8173.5 Ų73.553%0.52638%0.375SS..BIsolated β-bridgetrans-55.4139169-17.728.6000110.1
109V92.1Very high90.6Very high7 Ų772.5 Ų72.54%0.04238%0.377CS..  trans-120.8125.1176.7-169.20000108.3V100 C102 A107 E113 W114 C123V100-V109 HydrophobicContact CG1-CB 4.32Å; V100-V109 PolarHBondContact O-N 3.45Å; C102-V109 HydrophobicContact CB-CG2 3.99Å; A107-V109 PolarHBondContact O-N 3.1Å; V109-E113 VanDerWaalsContact CG1-C 3.48Å; V109-E113 HydrophobicContact CG1-CB 3.7Å; V109-W114 HydrophobicContact CB-CB 4.33Å; V109-W114 HydrophobicContact CG1-CB 3.65Å; V109-W114 VanDerWaalsContact CG1-N 3.29Å; V109-C123 HydrophobicContact CG2-CB 4.04Å
110Q82.6Confident90.4Very high112 Ų11275.9 Ų75.952%0.52339%0.388SS..  trans-70.9168.4-179-59.1-64.8-32.100110.9N112 E113Q110-N112 PolarHBondContact O-N 3.27Å; Q110-E113 HydrophobicContact CB-CG 4.03Å; Q110-E113 WeakPolarHBondContact CB-OE2 3.38Å; Q110-E113 PolarHBondContact N-OE2 2.85Å; Q110-E113 PolarHBondContact O-N 3.12Å; Q110-E113 VanDerWaalsContact O-N 3.12Å
111E74.3Confident90.4Very high84 Ų8476.3 Ų76.339%0.39339%0.392SS..THydrogen-bonded Turntrans-53131172.3-164.5-170.1147.400110.8K86 E113K86-E111 WeakPolarHBondContact CE-OE2 3.12Å; K86-E111 IonicContact NZ-OE1 3.66Å; K86-E111 PolarHBondContact NZ-OE1 2.7Å; K86-E111 IonicContact NZ-OE2 2.66Å; K86-E111 PolarHBondContact NZ-OE2 3.21Å; E111-E113 PolarHBondContact O-N 2.79Å
112N79.7Confident90.4Very high128 Ų12871.8 Ų71.868%0.68438%0.375SS*.THydrogen-bonded Turntrans66.96-179.5-48.4-44000116Q110Q110-N112 PolarHBondContact O-N 3.27Å
113E89.3Confident90.4Very high111 Ų11172.8 Ų72.852%0.51938%0.382SS..THydrogen-bonded Turntrans-96.7-14.4176.3-65.6-169149.900113.9V109 Q110 E111V109-E113 VanDerWaalsContact CG1-C 3.48Å; V109-E113 HydrophobicContact CG1-CB 3.7Å; Q110-E113 HydrophobicContact CB-CG 4.03Å; Q110-E113 WeakPolarHBondContact CB-OE2 3.38Å; Q110-E113 PolarHBondContact N-OE2 2.85Å; Q110-E113 PolarHBondContact O-N 3.12Å; Q110-E113 VanDerWaalsContact O-N 3.12Å; E111-E113 PolarHBondContact O-N 2.79Å
114W91.8Very high90.3Very high77 Ų7776.8 Ų76.829%0.29239%0.388SS..EExtended strand (participates in β ladder)trans-77.1147.4179.366.6-92.7000111.1I90 V109 A121 L122I90-W114 HydrophobicContact CD1-CD2 3.92Å; I90-W114 HydrophobicContact CD1-CE3 4.39Å; I90-W114 HydrophobicContact CD1-CG 4.13Å; I90-W114 HydrophobicContact CD1-CZ2 4.42Å; I90-W114 HydrophobicContact CG1-CZ2 4.21Å; I90-W114 HydrophobicContact CG2-CE3 4.04Å; I90-W114 HydrophobicContact CG2-CH2 3.84Å; I90-W114 HydrophobicContact CG2-CZ2 4.29Å; I90-W114 HydrophobicContact CG2-CZ3 3.7Å; V109-W114 HydrophobicContact CB-CB 4.33Å; V109-W114 HydrophobicContact CG1-CB 3.65Å; V109-W114 VanDerWaalsContact CG1-N 3.29Å; W114-A121 HydrophobicContact CB-CB 4.48Å; W114-A121 HydrophobicContact CE3-CB 4.45Å; W114-L122 CarbonylContact C-O 3.56Å; W114-L122 WeakPolarHBondContact CA-O 3.39Å
115Q92.5Very high90.2Very high66 Ų6680.4 Ų80.431%0.30840%0.402SS..EExtended strand (participates in β ladder)trans-118.7136.4176.1-55-58.6-46.100109.1L122 Y127Q115-L122 PolarHBondContact N-O 2.99Å; Q115-L122 PolarHBondContact O-N 3.5Å; Q115-Y127 HydrophobicContact CB-CD1 3.86Å; Q115-Y127 HydrophobicContact CB-CD2 3.34Å; Q115-Y127 HydrophobicContact CB-CE1 4.39Å; Q115-Y127 HydrophobicContact CB-CE2 3.95Å; Q115-Y127 HydrophobicContact CB-CG 3.27Å; Q115-Y127 HydrophobicContact CG-CD1 3.83Å; Q115-Y127 HydrophobicContact CG-CD2 4.24Å; Q115-Y127 HydrophobicContact CG-CG 3.67Å
116G89.7Confident90.1Very high30 Ų3077.9 Ų77.931%0.30939%0.385SS..EExtended strand (participates in β ladder)trans-85.1125.2178.200000112.4Y127G116-Y127 WeakPolarHBondContact O-CE2 3.48Å
117Y89.1Confident90.1Very high64 Ų6475 Ų7525%0.25137%0.367SS..EExtended strand (participates in β ladder)trans-145120.7172.1-175.1-94.2000111.8Q119 R120 L122 Y127 V130Y117-Q119 PolarHBondContact O-N 2.98Å; Y117-R120 PolarHBondContact N-O 3.25Å; Y117-R120 WeakPolarHBondContact O-CB 3.42Å; Y117-R120 PolarHBondContact O-N 3.34Å; Y117-L122 HydrophobicContact CG-CD1 4.48Å; Y117-Y127 HydrophobicContact CD2-CE2 4.27Å; Y117-V130 HydrophobicContact CD1-CB 4.06Å; Y117-V130 HydrophobicContact CD1-CG2 3.58Å; Y117-V130 HydrophobicContact CD2-CG2 3.94Å; Y117-V130 HydrophobicContact CE1-CB 3.86Å; Y117-V130 HydrophobicContact CE1-CG2 3.88Å; Y117-V130 HydrophobicContact CE2-CG2 4.21Å; Y117-V130 HydrophobicContact CG-CB 4.48Å; Y117-V130 HydrophobicContact CG-CG2 3.61Å; Y117-V130 PolarHBondContact OH-O 3.24Å
118K87.6Confident89.8Confident162 Ų16277.7 Ų77.770%0.70437%0.372SS*.THydrogen-bonded Turntrans46.453.1-179-66.2-175.2177.6178.30113.1R120K118-R120 PolarHBondContact O-N 3.47Å
119Q89.8Confident89.4Confident139 Ų13981.2 Ų81.265%0.6538%0.38SS*.THydrogen-bonded Turntrans60.822.5-177.8-51.6-66.457.800115.1F91 Y117F91-Q119 HydrophobicContact CB-CB 4.46Å; F91-Q119 VanDerWaalsContact CE1-OE1 3.28Å; F91-Q119 HydrophobicContact CG-CB 4.36Å; Y117-Q119 PolarHBondContact O-N 2.98Å
120R89.7Confident89.1Confident89 Ų8982.7 Ų82.734%0.33639%0.388SS..EExtended strand (participates in β ladder)trans-121.3138.9175.8-56.8-176.9-60.1147.310.6110.5A103 D104 Y117 K118A103-R120 HydrophobicContact CB-CB 3.88Å; A103-R120 HydrophobicContact CB-CG 4.39Å; D104-R120 IonicContact OD1-CZ 2.61Å; D104-R120 IonicContact OD1-NH1 3.53Å; D104-R120 PolarHBondContact OD1-NH1 3.15Å; D104-R120 IonicContact OD1-NH2 2.75Å; Y117-R120 PolarHBondContact N-O 3.25Å; Y117-R120 WeakPolarHBondContact O-CB 3.42Å; Y117-R120 PolarHBondContact O-N 3.34Å; K118-R120 PolarHBondContact O-N 3.47Å
121A92.7Very high89.2Confident13 Ų1382 Ų8211%0.10738%0.384CS..EExtended strand (participates in β ladder)trans-83.9123.817000000109.5I90 C102 A103 W114I90-A121 HydrophobicContact CD1-CB 3.81Å; I90-A121 HydrophobicContact CG2-CB 4.16Å; C102-A121 CarbonylContact C-O 3.56Å; C102-A121 WeakPolarHBondContact CA-O 3.5Å; A103-A121 PolarHBondContact N-O 2.98Å; W114-A121 HydrophobicContact CB-CB 4.48Å; W114-A121 HydrophobicContact CE3-CB 4.45Å
122L94.3Very high89.6Confident0 Ų079.5 Ų79.50%038%0.375CS..EExtended strand (participates in β ladder)trans-120.9149.6179.7-60.5-179.7000110.5A103 D104 W114 Q115 Y117 C126 V130A103-L122 HydrophobicContact CB-CD2 3.94Å; D104-L122 HydrophobicContact CB-CD2 3.97Å; D104-L122 VanDerWaalsContact CG-CD2 3.45Å; D104-L122 WeakPolarHBondContact OD2-CD2 3.14Å; W114-L122 CarbonylContact C-O 3.56Å; W114-L122 WeakPolarHBondContact CA-O 3.39Å; Q115-L122 PolarHBondContact N-O 2.99Å; Q115-L122 PolarHBondContact O-N 3.5Å; Y117-L122 HydrophobicContact CG-CD1 4.48Å; L122-C126 HydrophobicContact CB-CB 4.23Å; L122-C126 HydrophobicContact CD2-CB 4.43Å; L122-V130 HydrophobicContact CD1-CG1 4.36Å; L122-V130 HydrophobicContact CD1-CG2 3.43Å; L122-V130 VanDerWaalsContact CD1-CG2 3.43Å
123C95Very high90.1Very high22 Ų2275.3 Ų75.315%0.14935%0.354CS..EExtended strand (participates in β ladder)trans-68.1158.6163.572.20000109.6C102 V109 Q125 C126 Y127C102-C123 HydrophobicContact CB-CB 4.03Å; C102-C123 PolarHBondContact SG-N 2.89Å; V109-C123 HydrophobicContact CG2-CB 4.04Å; C123-Q125 VanDerWaalsContact C-N 3.25Å; C123-Q125 PolarHBondContact O-N 3.31Å; C123-Q125 VanDerWaalsContact O-N 3.17Å; C123-C126 PolarHBondContact O-N 3.36Å; C123-C126 VanDerWaalsContact O-N 3.1Å; C123-C126 PolarHBondContact SG-N 2.74Å; C123-C126 VanDerWaalsContact SG-SG 3.68Å; C123-Y127 WeakPolarHBondContact O-CB 3.27Å; C123-Y127 PolarHBondContact O-N 2.84Å
124K92.8Very high90.3Very high144 Ų14472 Ų7263%0.62634%0.342SS*.Hα-helixtrans-48.3-46.1178.8-172.8176.9-179.11780112.8C126 Y127 E128K124-C126 PolarHBondContact O-N 2.81Å; K124-Y127 WeakPolarHBondContact O-CB 3.49Å; K124-Y127 PolarHBondContact O-N 3.5Å; K124-E128 WeakPolarHBondContact O-CG 3.37Å; K124-E128 PolarHBondContact O-N 3.19Å
125Q92.4Very high90.4Very high149 Ų14968.3 Ų68.370%0.69633%0.328SS*.Hα-helixtrans-63.8-42.7-179-65-179-2.200113.4C123 K129C123-Q125 VanDerWaalsContact C-N 3.25Å; C123-Q125 PolarHBondContact O-N 3.31Å; C123-Q125 VanDerWaalsContact O-N 3.17Å; Q125-K129 WeakPolarHBondContact O-CG 3.26Å; Q125-K129 PolarHBondContact O-N 2.82Å
126C93.6Very high90.6Very high11 Ų1166 Ų667%0.07432%0.319CS..Hα-helixtrans-71-37.1176.7-73.40000111.4C102 D104 L122 C123 K124 K129 V130C102-C126 VanDerWaalsContact SG-SG 3.68Å; D104-C126 HydrophobicContact CB-CB 4Å; L122-C126 HydrophobicContact CB-CB 4.23Å; L122-C126 HydrophobicContact CD2-CB 4.43Å; C123-C126 PolarHBondContact O-N 3.36Å; C123-C126 VanDerWaalsContact O-N 3.1Å; C123-C126 PolarHBondContact SG-N 2.74Å; C123-C126 VanDerWaalsContact SG-SG 3.68Å; K124-C126 PolarHBondContact O-N 2.81Å; C126-K129 WeakPolarHBondContact O-CB 3.38Å; C126-K129 PolarHBondContact O-N 3.13Å; C126-V130 PolarHBondContact O-N 2.57Å; C126-V130 VanDerWaalsContact O-N 3.15Å
127Y93.2Very high90.8Very high48 Ų4868 Ų6819%0.18832%0.319CS..Hα-helixtrans-59.3-47.5174.5-178.7-102.6000112.3Q115 G116 Y117 C123 K124 K129 V130 K131Q115-Y127 HydrophobicContact CB-CD1 3.86Å; Q115-Y127 HydrophobicContact CB-CD2 3.34Å; Q115-Y127 HydrophobicContact CB-CE1 4.39Å; Q115-Y127 HydrophobicContact CB-CE2 3.95Å; Q115-Y127 HydrophobicContact CB-CG 3.27Å; Q115-Y127 HydrophobicContact CG-CD1 3.83Å; Q115-Y127 HydrophobicContact CG-CD2 4.24Å; Q115-Y127 HydrophobicContact CG-CG 3.67Å; G116-Y127 WeakPolarHBondContact O-CE2 3.48Å; Y117-Y127 HydrophobicContact CD2-CE2 4.27Å; C123-Y127 WeakPolarHBondContact O-CB 3.27Å; C123-Y127 PolarHBondContact O-N 2.84Å; K124-Y127 WeakPolarHBondContact O-CB 3.49Å; K124-Y127 PolarHBondContact O-N 3.5Å; Y127-K129 PolarHBondContact O-N 3.45Å; Y127-V130 VanDerWaalsContact O-CG2 3.3Å; Y127-V130 WeakPolarHBondContact O-CG2 3.35Å; Y127-V130 PolarHBondContact O-N 2.94Å; Y127-V130 VanDerWaalsContact O-N 3.15Å; Y127-K131 HydrophobicContact CE1-CB 4.2Å; Y127-K131 HydrophobicContact CE1-CD 3.74Å; Y127-K131 HydrophobicContact CE1-CG 4.49Å; Y127-K131 WeakPolarHBondContact O-CB 3.05Å; Y127-K131 PolarHBondContact O-N 2.95Å
128E88.8Confident91.1Very high94 Ų9467.6 Ų67.644%0.43933%0.325SS..Hα-helixtrans-56.6-41176.1-70.4-56.5151.700111.3K124 V130 S132K124-E128 WeakPolarHBondContact O-CG 3.37Å; K124-E128 PolarHBondContact O-N 3.19Å; E128-V130 PolarHBondContact O-N 3.39Å; E128-S132 WeakPolarHBondContact O-CB 2.94Å; E128-S132 PolarHBondContact O-N 3.18Å; E128-S132 PolarHBondContact O-OG 2.8Å
129K86Confident91.4Very high156 Ų15668.1 Ų68.168%0.67832%0.322SS*.Hα-helixtrans-63.5-38.7178.3-68.7174.3-175-1800113.3Q125 C126 Y127Q125-K129 WeakPolarHBondContact O-CG 3.26Å; Q125-K129 PolarHBondContact O-N 2.82Å; C126-K129 WeakPolarHBondContact O-CB 3.38Å; C126-K129 PolarHBondContact O-N 3.13Å; Y127-K129 PolarHBondContact O-N 3.45Å
130V86.3Confident91.5Very high37 Ų3765.6 Ų65.622%0.22432%0.317CS..Hα-helixtrans-88.1-25.7-177.8-58.90000113.6Y117 L122 C126 Y127 E128Y117-V130 HydrophobicContact CD1-CB 4.06Å; Y117-V130 HydrophobicContact CD1-CG2 3.58Å; Y117-V130 HydrophobicContact CD2-CG2 3.94Å; Y117-V130 HydrophobicContact CE1-CB 3.86Å; Y117-V130 HydrophobicContact CE1-CG2 3.88Å; Y117-V130 HydrophobicContact CE2-CG2 4.21Å; Y117-V130 HydrophobicContact CG-CB 4.48Å; Y117-V130 HydrophobicContact CG-CG2 3.61Å; Y117-V130 PolarHBondContact OH-O 3.24Å; L122-V130 HydrophobicContact CD1-CG1 4.36Å; L122-V130 HydrophobicContact CD1-CG2 3.43Å; L122-V130 VanDerWaalsContact CD1-CG2 3.43Å; C126-V130 PolarHBondContact O-N 2.57Å; C126-V130 VanDerWaalsContact O-N 3.15Å; Y127-V130 VanDerWaalsContact O-CG2 3.3Å; Y127-V130 WeakPolarHBondContact O-CG2 3.35Å; Y127-V130 PolarHBondContact O-N 2.94Å; Y127-V130 VanDerWaalsContact O-N 3.15Å; E128-V130 PolarHBondContact O-N 3.39Å
131K83.7Confident91.6Very high99 Ų9965.6 Ų65.643%0.4332%0.322SS..Hα-helixtrans-74.1-34.8171.5-176.8-177.9176.1-1750110.7Y127 V133 E144Y127-K131 HydrophobicContact CE1-CB 4.2Å; Y127-K131 HydrophobicContact CE1-CD 3.74Å; Y127-K131 HydrophobicContact CE1-CG 4.49Å; Y127-K131 WeakPolarHBondContact O-CB 3.05Å; Y127-K131 PolarHBondContact O-N 2.95Å; K131-V133 PolarHBondContact O-N 3.03Å; K131-E144 IonicContact NZ-OE1 3.26Å
132S84Confident91.5Very high31 Ų3165.3 Ų65.322%0.21732%0.319CS..  trans-61.1126.8179.5-71.60000111.7E128 P134 I141E128-S132 WeakPolarHBondContact O-CB 2.94Å; E128-S132 PolarHBondContact O-N 3.18Å; E128-S132 PolarHBondContact O-OG 2.8Å; S132-P134 VanDerWaalsContact O-CD 3.3Å; S132-P134 WeakPolarHBondContact O-CD 3.39Å; S132-I141 WeakPolarHBondContact OG-CG2 3.39Å
133V89.6Confident91.2Very high39 Ų3971.6 Ų71.624%0.23635%0.346CS..EExtended strand (participates in β ladder)trans-100.4103.8171.2179.90000107.8K131 L142 Q147 V155K131-V133 PolarHBondContact O-N 3.03Å; V133-L142 WeakPolarHBondContact O-CB 3.41Å; V133-L142 WeakPolarHBondContact O-CG 3.19Å; V133-L142 PolarHBondContact O-N 3.47Å; V133-Q147 HydrophobicContact CB-CG 4.08Å; V133-Q147 HydrophobicContact CG1-CG 4.22Å; V133-V155 HydrophobicContact CG1-CB 3.67Å; V133-V155 HydrophobicContact CG1-CG1 4.34Å; V133-V155 HydrophobicContact CG1-CG2 3.6Å
134P92.7Very high90.8Very high41 Ų4177.3 Ų77.327%0.26637%0.371SS..EExtended strand (participates in β ladder)trans-75.3143.4176.530-33.4000110.7S132 V136 T140 I141S132-P134 VanDerWaalsContact O-CD 3.3Å; S132-P134 WeakPolarHBondContact O-CD 3.39Å; P134-V136 PolarHBondContact O-N 3Å; P134-T140 CarbonylContact C-O 3.55Å; P134-T140 WeakPolarHBondContact CA-O 2.89Å; P134-I141 HydrophobicContact CB-CD1 3.91Å
135C95.5Very high90.6Very high0 Ų077.5 Ų77.50%037%0.374CS..  trans-53.9128.5165.3178.20000109.7K137 C138 R139 T140 L142 V155 C157C135-K137 PolarHBondContact O-N 3.02Å; C135-K137 VanDerWaalsContact O-N 3.13Å; C135-K137 PolarHBondContact SG-N 2.82Å; C135-K137 VanDerWaalsContact SG-N 3.44Å; C135-C138 WeakPolarHBondContact CB-SG 3.31Å; C135-C138 PolarHBondContact SG-N 2.83Å; C135-R139 WeakPolarHBondContact O-CA 3.48Å; C135-R139 PolarHBondContact O-N 3.38Å; C135-T140 PolarHBondContact N-O 3.42Å; C135-L142 HydrophobicContact CB-CD1 4.38Å; C135-L142 HydrophobicContact CB-CD2 4.15Å; C135-L142 HydrophobicContact CB-CG 4.43Å; C135-V155 CarbonylContact C-O 3.54Å; C135-V155 VanDerWaalsContact CA-O 3.32Å; C135-V155 WeakPolarHBondContact CA-O 3.43Å; C135-C157 HydrophobicContact CB-CB 4.02Å; C135-C157 PolarHBondContact SG-N 2.7Å
136V95.3Very high90.5Very high19 Ų1973.3 Ų73.312%0.11535%0.354CS..THydrogen-bonded Turntrans-56.5-32.5178.5-69.30000112.4P134 L151 V153 G154 V155 I156P134-V136 PolarHBondContact O-N 3Å; V136-L151 HydrophobicContact CG2-CD1 4.17Å; V136-V153 HydrophobicContact CB-CG2 4.3Å; V136-V153 HydrophobicContact CG1-CG2 4.19Å; V136-V153 WeakPolarHBondContact CG1-O 3.3Å; V136-V153 HydrophobicContact CG2-CG2 4.33Å; V136-G154 VanDerWaalsContact CG1-C 3.41Å; V136-G154 VanDerWaalsContact CG1-CA 3.41Å; V136-V155 PolarHBondContact N-O 2.95Å; V136-I156 HydrophobicContact CG2-CB 3.89Å; V136-I156 HydrophobicContact CG2-CG1 4.24Å
137K94.6Very high90.3Very high71 Ų7175.3 Ų75.331%0.30936%0.362SS..THydrogen-bonded Turntrans-91.5-52.1-175.2-168.2170.2-173.3169.30114.2C135 I156 C160C135-K137 PolarHBondContact O-N 3.02Å; C135-K137 VanDerWaalsContact O-N 3.13Å; C135-K137 PolarHBondContact SG-N 2.82Å; C135-K137 VanDerWaalsContact SG-N 3.44Å; K137-I156 HydrophobicContact CB-CD1 4.46Å; K137-C160 HydrophobicContact CB-CB 4.12Å; K137-C160 HydrophobicContact CD-CB 4.07Å
138C95.3Very high90.2Very high55 Ų5576.9 Ų76.937%0.37238%0.381SS..THydrogen-bonded Turntrans-102.7-4.1-175.171.40000114.3C135 T140C135-C138 WeakPolarHBondContact CB-SG 3.31Å; C135-C138 PolarHBondContact SG-N 2.83Å; C138-T140 PolarHBondContact O-N 3.17Å; C138-T140 PolarHBondContact SG-OG1 3.26Å
139R94.1Very high90.5Very high173 Ų17373 Ų7365%0.65336%0.363SS*.  trans622.9179.8-50.6-66.9-73.6175.7-4.9116C135 I141C135-R139 WeakPolarHBondContact O-CA 3.48Å; C135-R139 PolarHBondContact O-N 3.38Å; R139-I141 PolarHBondContact O-N 3.48Å
140T92.8Very high90.9Very high87 Ų8770.5 Ų70.553%0.53436%0.361SS..PPolyproline II helixtrans-60.5133.3170.9-51.70000110.1P134 C135 C138 L142P134-T140 CarbonylContact C-O 3.55Å; P134-T140 WeakPolarHBondContact CA-O 2.89Å; C135-T140 PolarHBondContact N-O 3.42Å; C138-T140 PolarHBondContact O-N 3.17Å; C138-T140 PolarHBondContact SG-OG1 3.26Å; T140-L142 PolarHBondContact O-N 3.09Å
141I90.8Very high91.2Very high89 Ų8969.2 Ų69.246%0.45635%0.352SS..EExtended strand (participates in β ladder)trans-68.2128.2176.4-57.3-41.9000109.9S132 P134 R139S132-I141 WeakPolarHBondContact OG-CG2 3.39Å; P134-I141 HydrophobicContact CB-CD1 3.91Å; R139-I141 PolarHBondContact O-N 3.48Å
142L91.2Very high91.6Very high7 Ų773.2 Ų73.24%0.03737%0.372CS..EExtended strand (participates in β ladder)trans-93.4133.8-177.7-54.4-179.2000110.9V133 C135 T140 E146 Q147 V155 C157V133-L142 WeakPolarHBondContact O-CB 3.41Å; V133-L142 WeakPolarHBondContact O-CG 3.19Å; V133-L142 PolarHBondContact O-N 3.47Å; C135-L142 HydrophobicContact CB-CD1 4.38Å; C135-L142 HydrophobicContact CB-CD2 4.15Å; C135-L142 HydrophobicContact CB-CG 4.43Å; T140-L142 PolarHBondContact O-N 3.09Å; L142-E146 HydrophobicContact CB-CB 4.08Å; L142-E146 HydrophobicContact CD2-CB 4.32Å; L142-Q147 HydrophobicContact CB-CG 3.65Å; L142-Q147 HydrophobicContact CD1-CG 4.36Å; L142-Q147 PolarHBondContact O-NE2 2.97Å; L142-V155 HydrophobicContact CD1-CB 4.16Å; L142-V155 HydrophobicContact CD1-CG1 3.58Å; L142-C157 HydrophobicContact CD1-CB 4.34Å; L142-C157 HydrophobicContact CD2-CB 3.3Å; L142-C157 HydrophobicContact CG-CB 4.45Å
143K88Confident92.1Very high131 Ų13175.5 Ų75.557%0.5739%0.385SS*.PPolyproline II helixtrans-66.1158.4164.5-62.3179.2-175.9177.50109.8E145 E146 Q147K143-E145 HydrophobicContact CB-CG 3.97Å; K143-E145 VanDerWaalsContact CD-OE1 3.28Å; K143-E145 WeakPolarHBondContact CD-OE1 3.5Å; K143-E145 IonicContact NZ-OE1 3.17Å; K143-E145 PolarHBondContact O-N 3.36Å; K143-E146 HydrophobicContact CB-CG 4.34Å; K143-E146 PolarHBondContact N-OE2 3.01Å; K143-E146 WeakPolarHBondContact O-CB 3.07Å; K143-E146 PolarHBondContact O-N 3.39Å; K143-Q147 WeakPolarHBondContact O-CG 3.38Å; K143-Q147 PolarHBondContact O-N 3.42Å
144E86.2Confident92.3Very high143 Ų14374.9 Ų74.967%0.66839%0.387SS*.G310 helixtrans-53.9-39-179-67.9176.6-171.500112.2K131 E146 Q147K131-E144 IonicContact NZ-OE1 3.26Å; E144-E146 VanDerWaalsContact C-N 3.3Å; E144-E146 PolarHBondContact O-N 2.83Å; E144-Q147 PolarHBondContact O-N 3.05Å
145E88.8Confident92.4Very high148 Ų14874 Ų7469%0.69238%0.38SS*.G310 helixtrans-65.1-23.617563.9-144.6-163.200115.1K143K143-E145 HydrophobicContact CB-CG 3.97Å; K143-E145 VanDerWaalsContact CD-OE1 3.28Å; K143-E145 WeakPolarHBondContact CD-OE1 3.5Å; K143-E145 IonicContact NZ-OE1 3.17Å; K143-E145 PolarHBondContact O-N 3.36Å
146E90.2Very high92.4Very high60 Ų6074 Ų7428%0.2838%0.38SS..G310 helixtrans-92-6.8179.2-61.8175.8127.100112.5L142 K143 E144 S148L142-E146 HydrophobicContact CB-CB 4.08Å; L142-E146 HydrophobicContact CD2-CB 4.32Å; K143-E146 HydrophobicContact CB-CG 4.34Å; K143-E146 PolarHBondContact N-OE2 3.01Å; K143-E146 WeakPolarHBondContact O-CB 3.07Å; K143-E146 PolarHBondContact O-N 3.39Å; E144-E146 VanDerWaalsContact C-N 3.3Å; E144-E146 PolarHBondContact O-N 2.83Å; E146-S148 PolarHBondContact O-N 2.84Å
147Q89.4Confident92.5Very high53 Ų5373.4 Ų73.425%0.24838%0.377CS..THydrogen-bonded Turntrans-86.914-175.9-66.6170.833.600113.7V133 L142 K143 E144 I149 V155V133-Q147 HydrophobicContact CB-CG 4.08Å; V133-Q147 HydrophobicContact CG1-CG 4.22Å; L142-Q147 HydrophobicContact CB-CG 3.65Å; L142-Q147 HydrophobicContact CD1-CG 4.36Å; L142-Q147 PolarHBondContact O-NE2 2.97Å; K143-Q147 WeakPolarHBondContact O-CG 3.38Å; K143-Q147 PolarHBondContact O-N 3.42Å; E144-Q147 PolarHBondContact O-N 3.05Å; Q147-I149 VanDerWaalsContact C-N 3.27Å; Q147-I149 PolarHBondContact O-N 2.99Å; Q147-V155 HydrophobicContact CB-CG1 4Å; Q147-V155 HydrophobicContact CG-CG1 4.27Å
148S91.3Very high92.5Very high81 Ų8172.3 Ų72.357%0.56638%0.377SS*.THydrogen-bonded Turntrans-74.5-12-174.466.70000114.5E146E146-S148 PolarHBondContact O-N 2.84Å
149I94.1Very high92.5Very high12 Ų1275.6 Ų75.66%0.06239%0.391CS..  trans-109.993.2-175.4-45.4170.8000109.4Q147 V155 I156 P158 F161 P172Q147-I149 VanDerWaalsContact C-N 3.27Å; Q147-I149 PolarHBondContact O-N 2.99Å; I149-V155 WeakPolarHBondContact O-CA 3.1Å; I149-V155 WeakPolarHBondContact O-CG1 3.41Å; I149-I156 HydrophobicContact CB-CG2 3.83Å; I149-I156 HydrophobicContact CG2-CG2 3.42Å; I149-I156 VanDerWaalsContact CG2-CG2 3.42Å; I149-I156 PolarHBondContact O-N 3.19Å; I149-P158 HydrophobicContact CD1-CG 4.44Å; I149-F161 HydrophobicContact CD1-CB 3.7Å; I149-F161 HydrophobicContact CD1-CD1 3.67Å; I149-F161 HydrophobicContact CD1-CE1 4.48Å; I149-F161 HydrophobicContact CD1-CG 3.79Å; I149-F161 HydrophobicContact CG2-CB 4.48Å; I149-F161 HydrophobicContact CG2-CD1 4.1Å; I149-F161 HydrophobicContact CG2-CD2 3.7Å; I149-F161 HydrophobicContact CG2-CE1 4.22Å; I149-F161 HydrophobicContact CG2-CE2 3.85Å; I149-F161 HydrophobicContact CG2-CG 3.84Å; I149-F161 HydrophobicContact CG2-CZ 4.11Å; I149-P172 HydrophobicContact CG1-CG 4.3Å
150V94.1Very high92.6Very high105 Ų10568.2 Ų68.264%0.63637%0.366SS*.EExtended strand (participates in β ladder)trans-96.6117.9-177.9-172.60000109.9V155V150-V155 HydrophobicContact CG2-CG2 4.37Å
151L94.3Very high92.9Very high9 Ų964.1 Ų64.15%0.04734%0.341CS..EExtended strand (participates in β ladder)trans-95.6166.6169.5-55.9-175.1000110.1V136 V153 G154 I156 F176 V183V136-L151 HydrophobicContact CG2-CD1 4.17Å; L151-V153 HydrophobicContact CB-CG2 4.32Å; L151-V153 PolarHBondContact O-N 2.74Å; L151-V153 VanDerWaalsContact O-N 3.14Å; L151-G154 CarbonylContact C-O 3.59Å; L151-G154 WeakPolarHBondContact CA-O 3.44Å; L151-G154 VanDerWaalsContact CB-O 3.3Å; L151-G154 WeakPolarHBondContact CB-O 3.06Å; L151-G154 PolarHBondContact N-O 2.75Å; L151-G154 PolarHBondContact O-N 2.61Å; L151-G154 VanDerWaalsContact O-N 3.11Å; L151-G154 VanDerWaalsContact O-O 3.11Å; L151-I156 HydrophobicContact CD1-CB 3.85Å; L151-I156 HydrophobicContact CD1-CD1 3.96Å; L151-I156 HydrophobicContact CD1-CG2 3.84Å; L151-I156 HydrophobicContact CD2-CG2 4.18Å; L151-I156 HydrophobicContact CG-CB 4.17Å; L151-I156 HydrophobicContact CG-CG2 3.78Å; L151-F176 HydrophobicContact CD2-CE2 3.75Å; L151-F176 HydrophobicContact CD2-CZ 4.14Å; L151-V183 HydrophobicContact CD1-CG1 3.76Å; L151-V183 HydrophobicContact CD2-CG1 3.87Å
152Q92.2Very high93.2Very high183 Ų18363.5 Ų63.586%0.85534%0.335SS*.THydrogen-bonded Turntrans-59.8-26.8176.1-63.9176.6-15.900113.2
153V92.6Very high93.5Very high79 Ų7963.1 Ų63.148%0.47933%0.333SS..THydrogen-bonded Turntrans-93.9-3.1-178.9-620000113.5V136 L151 N180 E181V136-V153 HydrophobicContact CB-CG2 4.3Å; V136-V153 HydrophobicContact CG1-CG2 4.19Å; V136-V153 WeakPolarHBondContact CG1-O 3.3Å; V136-V153 HydrophobicContact CG2-CG2 4.33Å; L151-V153 HydrophobicContact CB-CG2 4.32Å; L151-V153 PolarHBondContact O-N 2.74Å; L151-V153 VanDerWaalsContact O-N 3.14Å; V153-N180 WeakPolarHBondContact CG2-O 3.43Å; V153-E181 HydrophobicContact CG2-CB 4.38Å
154G93.8Very high93.9Very high27 Ų2759.1 Ų59.128%0.27832%0.319SS..EExtended strand (participates in β ladder)trans133.9-163.9-177.300000112.7V136 L151V136-G154 VanDerWaalsContact CG1-C 3.41Å; V136-G154 VanDerWaalsContact CG1-CA 3.41Å; L151-G154 CarbonylContact C-O 3.59Å; L151-G154 WeakPolarHBondContact CA-O 3.44Å; L151-G154 VanDerWaalsContact CB-O 3.3Å; L151-G154 WeakPolarHBondContact CB-O 3.06Å; L151-G154 PolarHBondContact N-O 2.75Å; L151-G154 PolarHBondContact O-N 2.61Å; L151-G154 VanDerWaalsContact O-N 3.11Å; L151-G154 VanDerWaalsContact O-O 3.11Å
155V95.1Very high94.3Very high21 Ų2157.9 Ų57.913%0.12731%0.313CS..EExtended strand (participates in β ladder)trans-93.6132.5-173.4-172.80000111V133 C135 V136 L142 Q147 I149 V150V133-V155 HydrophobicContact CG1-CB 3.67Å; V133-V155 HydrophobicContact CG1-CG1 4.34Å; V133-V155 HydrophobicContact CG1-CG2 3.6Å; C135-V155 CarbonylContact C-O 3.54Å; C135-V155 VanDerWaalsContact CA-O 3.32Å; C135-V155 WeakPolarHBondContact CA-O 3.43Å; V136-V155 PolarHBondContact N-O 2.95Å; L142-V155 HydrophobicContact CD1-CB 4.16Å; L142-V155 HydrophobicContact CD1-CG1 3.58Å; Q147-V155 HydrophobicContact CB-CG1 4Å; Q147-V155 HydrophobicContact CG-CG1 4.27Å; I149-V155 WeakPolarHBondContact O-CA 3.1Å; I149-V155 WeakPolarHBondContact O-CG1 3.41Å; V150-V155 HydrophobicContact CG2-CG2 4.37Å
156I96.5Very high94.7Very high0 Ų053.9 Ų53.90%030%0.301CS..  trans-106.7138.1176.7-167.9167.1000110V136 K137 I149 L151 C160 F161 V183V136-I156 HydrophobicContact CG2-CB 3.89Å; V136-I156 HydrophobicContact CG2-CG1 4.24Å; K137-I156 HydrophobicContact CB-CD1 4.46Å; I149-I156 HydrophobicContact CB-CG2 3.83Å; I149-I156 HydrophobicContact CG2-CG2 3.42Å; I149-I156 VanDerWaalsContact CG2-CG2 3.42Å; I149-I156 PolarHBondContact O-N 3.19Å; L151-I156 HydrophobicContact CD1-CB 3.85Å; L151-I156 HydrophobicContact CD1-CD1 3.96Å; L151-I156 HydrophobicContact CD1-CG2 3.84Å; L151-I156 HydrophobicContact CD2-CG2 4.18Å; L151-I156 HydrophobicContact CG-CB 4.17Å; L151-I156 HydrophobicContact CG-CG2 3.78Å; I156-C160 HydrophobicContact CD1-CB 3.88Å; I156-C160 WeakPolarHBondContact CD1-O 3.48Å; I156-C160 HydrophobicContact CG1-CB 3.56Å; I156-F161 HydrophobicContact CG2-CB 4.13Å; I156-F161 HydrophobicContact CG2-CD2 3.88Å; I156-F161 HydrophobicContact CG2-CG 4.31Å; I156-V183 HydrophobicContact CD1-CG1 4.47Å
157C96.2Very high95.1Very high8 Ų856.5 Ų56.55%0.05432%0.316CS..  trans-71.8154.1178.977.80000111.6C135 L142 N159 C160 F161C135-C157 HydrophobicContact CB-CB 4.02Å; C135-C157 PolarHBondContact SG-N 2.7Å; L142-C157 HydrophobicContact CD1-CB 4.34Å; L142-C157 HydrophobicContact CD2-CB 3.3Å; L142-C157 HydrophobicContact CG-CB 4.45Å; C157-N159 PolarHBondContact O-N 3.35Å; C157-N159 VanDerWaalsContact O-N 3.17Å; C157-C160 PolarHBondContact O-N 2.95Å; C157-C160 VanDerWaalsContact SG-CB 3.51Å; C157-C160 PolarHBondContact SG-N 2.72Å; C157-C160 PolarHBondContact SG-SG 2.93Å; C157-F161 PolarHBondContact O-N 3.19Å
158P95.1Very high95.4Very high47 Ų4759.5 Ų59.531%0.30533%0.329SS..G310 helixtrans-50.7-42.3176.4-29.235.9000113.1I149 C160 F161 Q169I149-P158 HydrophobicContact CD1-CG 4.44Å; P158-C160 VanDerWaalsContact C-N 3.3Å; P158-C160 PolarHBondContact O-N 3.37Å; P158-F161 PolarHBondContact O-N 2.98Å; P158-Q169 PolarHBondContact O-NE2 3.31Å
159N95.8Very high95.7Very high124 Ų12460.2 Ų60.266%0.66332%0.323SS*.G310 helixtrans-65.9-28.2179.3-66.2-26.3000114.2C157C157-N159 PolarHBondContact O-N 3.35Å; C157-N159 VanDerWaalsContact O-N 3.17Å
160C97.1Very high95.8Very high19 Ų1960 Ų6013%0.12832%0.322CS..G310 helixtrans-90.6-17.2178.5-77.50000112.6K137 I156 C157 P158 K162K137-C160 HydrophobicContact CB-CB 4.12Å; K137-C160 HydrophobicContact CD-CB 4.07Å; I156-C160 HydrophobicContact CD1-CB 3.88Å; I156-C160 WeakPolarHBondContact CD1-O 3.48Å; I156-C160 HydrophobicContact CG1-CB 3.56Å; C157-C160 PolarHBondContact O-N 2.95Å; C157-C160 VanDerWaalsContact SG-CB 3.51Å; C157-C160 PolarHBondContact SG-N 2.72Å; C157-C160 PolarHBondContact SG-SG 2.93Å; P158-C160 VanDerWaalsContact C-N 3.3Å; P158-C160 PolarHBondContact O-N 3.37Å; C160-K162 PolarHBondContact O-N 3.1Å
161F97.2Very high95.8Very high0 Ų061.9 Ų61.90%032%0.321CS..  trans-76.467.4180-171-122.8000111.9I149 I156 C157 P158 Q169 L170 K171 F176 V183I149-F161 HydrophobicContact CD1-CB 3.7Å; I149-F161 HydrophobicContact CD1-CD1 3.67Å; I149-F161 HydrophobicContact CD1-CE1 4.48Å; I149-F161 HydrophobicContact CD1-CG 3.79Å; I149-F161 HydrophobicContact CG2-CB 4.48Å; I149-F161 HydrophobicContact CG2-CD1 4.1Å; I149-F161 HydrophobicContact CG2-CD2 3.7Å; I149-F161 HydrophobicContact CG2-CE1 4.22Å; I149-F161 HydrophobicContact CG2-CE2 3.85Å; I149-F161 HydrophobicContact CG2-CG 3.84Å; I149-F161 HydrophobicContact CG2-CZ 4.11Å; I156-F161 HydrophobicContact CG2-CB 4.13Å; I156-F161 HydrophobicContact CG2-CD2 3.88Å; I156-F161 HydrophobicContact CG2-CG 4.31Å; C157-F161 PolarHBondContact O-N 3.19Å; P158-F161 PolarHBondContact O-N 2.98Å; F161-Q169 PolarHBondContact O-NE2 2.73Å; F161-L170 HydrophobicContact CD1-CB 3.61Å; F161-L170 VanDerWaalsContact CD1-O 3.25Å; F161-L170 WeakPolarHBondContact CD1-O 3.41Å; F161-L170 HydrophobicContact CE1-CB 3.32Å; F161-L170 HydrophobicContact CE2-CB 4.37Å; F161-L170 HydrophobicContact CE2-CD1 4.24Å; F161-L170 HydrophobicContact CG-CB 4.25Å; F161-L170 HydrophobicContact CZ-CB 3.75Å; F161-L170 HydrophobicContact CZ-CD1 4.21Å; F161-L170 WeakPolarHBondContact O-CB 3.37Å; F161-L170 PolarHBondContact O-N 2.79Å; F161-K171 WeakPolarHBondContact CE1-O 3.24Å; F161-F176 HydrophobicContact CE2-CD1 4.08Å; F161-F176 HydrophobicContact CE2-CD2 4.16Å; F161-F176 HydrophobicContact CE2-CE1 4.2Å; F161-F176 HydrophobicContact CE2-CE2 4.27Å; F161-F176 HydrophobicContact CE2-CG 4.07Å; F161-F176 HydrophobicContact CE2-CZ 4.29Å; F161-F176 AromaticContact CZ-CD1 3.6Å; F161-F176 HydrophobicContact CZ-CD1 3.6Å; F161-F176 HydrophobicContact CZ-CD2 4.49Å; F161-F176 AromaticContact CZ-CE1 3.82Å; F161-F176 HydrophobicContact CZ-CE1 3.82Å; F161-F176 AromaticContact CZ-CG 3.97Å; F161-F176 HydrophobicContact CZ-CG 3.97Å; F161-F176 HydrophobicContact CZ-CZ 4.36Å; F161-V183 HydrophobicContact CD2-CB 4.45Å; F161-V183 HydrophobicContact CD2-CG1 4.13Å; F161-V183 HydrophobicContact CD2-CG2 4.05Å; F161-V183 HydrophobicContact CE2-CB 4.38Å; F161-V183 HydrophobicContact CE2-CG1 4.1Å; F161-V183 HydrophobicContact CE2-CG2 4.4Å
162K97.5Very high95.6Very high76 Ų7665.2 Ų65.233%0.3334%0.344SS..BIsolated β-bridgetrans-139.6146.8-179.763.8-174.6176.4-172.80110.1C160 V164 K168 V183C160-K162 PolarHBondContact O-N 3.1Å; K162-V164 PolarHBondContact O-N 3.41Å; K162-K168 CarbonylContact C-O 3.51Å; K162-K168 WeakPolarHBondContact CA-O 3.3Å; K162-K168 WeakPolarHBondContact CB-O 3.32Å; K162-V183 WeakPolarHBondContact O-CG2 3.25Å
163C97.8Very high95.6Very high0 Ų064 Ų640%034%0.343CS..  trans-55.4129.4179.6-179.20000110.7E165 C166 L167 K168 V183 C185C163-E165 VanDerWaalsContact C-N 3.29Å; C163-E165 PolarHBondContact O-N 3.26Å; C163-C166 VanDerWaalsContact CB-SG 3.56Å; C163-L167 WeakPolarHBondContact O-CA 3.43Å; C163-L167 PolarHBondContact O-N 3.29Å; C163-K168 HydrophobicContact CB-CB 4.44Å; C163-K168 PolarHBondContact N-O 2.85Å; C163-V183 CarbonylContact C-O 3.6Å; C163-V183 VanDerWaalsContact CA-O 3.3Å; C163-V183 WeakPolarHBondContact CA-O 3.46Å; C163-C185 HydrophobicContact CB-CB 3.98Å; C163-C185 PolarHBondContact SG-N 3.17Å; C163-C185 VanDerWaalsContact SG-N 3.38Å
164V96Very high95.7Very high47 Ų4762.8 Ų62.829%0.28533%0.334SS..THydrogen-bonded Turntrans-67.6-31.4-179.6175.60000112.5K162 N182 V183 Y184K162-V164 PolarHBondContact O-N 3.41Å; V164-N182 HydrophobicContact CG2-CB 3.82Å; V164-V183 PolarHBondContact N-O 2.84Å; V164-Y184 HydrophobicContact CB-CE1 4.4Å
165E96Very high95.8Very high116 Ų11668 Ų6854%0.54235%0.349SS..THydrogen-bonded Turntrans-78.7-52.7-178.7-61.6-63.3151.800112.5C163 Y184 C188C163-E165 VanDerWaalsContact C-N 3.29Å; C163-E165 PolarHBondContact O-N 3.26Å; E165-Y184 HydrophobicContact CG-CD1 3.75Å; E165-Y184 HydrophobicContact CG-CE1 3.77Å; E165-C188 HydrophobicContact CB-CB 3.78Å; E165-C188 HydrophobicContact CG-CB 3.96Å
166C97.4Very high95.8Very high64 Ų6470 Ų7043%0.43236%0.356SS..THydrogen-bonded Turntrans-106.71.2-173.169.80000114.4C163 K168 C185C163-C166 VanDerWaalsContact CB-SG 3.56Å; C166-K168 PolarHBondContact O-N 3.33Å; C166-K168 VanDerWaalsContact SG-CB 3.56Å; C166-C185 VanDerWaalsContact SG-SG 3.7Å
167L96.9Very high95.7Very high115 Ų11571.7 Ų71.760%0.60236%0.363SS*.  trans59.37-179.1-54.4179.1000115.4C163 Q169C163-L167 WeakPolarHBondContact O-CA 3.43Å; C163-L167 PolarHBondContact O-N 3.29Å; L167-Q169 PolarHBondContact O-N 3.16Å; L167-Q169 VanDerWaalsContact O-N 3.16Å
168K97.1Very high95.6Very high117 Ų11772.5 Ų72.551%0.50937%0.366SS..PPolyproline II helixtrans-56.3120.6175.6178.5-179.9175.2-173.80109.8K162 C163 C166 L170K162-K168 CarbonylContact C-O 3.51Å; K162-K168 WeakPolarHBondContact CA-O 3.3Å; K162-K168 WeakPolarHBondContact CB-O 3.32Å; C163-K168 HydrophobicContact CB-CB 4.44Å; C163-K168 PolarHBondContact N-O 2.85Å; C166-K168 PolarHBondContact O-N 3.33Å; C166-K168 VanDerWaalsContact SG-CB 3.56Å; K168-L170 PolarHBondContact O-N 3Å
169Q97.3Very high95.5Very high96 Ų9672.7 Ų72.745%0.44936%0.364SS..BIsolated β-bridgetrans-61125.2169.5-174.661.352.100109.5P158 F161 L167P158-Q169 PolarHBondContact O-NE2 3.31Å; F161-Q169 PolarHBondContact O-NE2 2.73Å; L167-Q169 PolarHBondContact O-N 3.16Å; L167-Q169 VanDerWaalsContact O-N 3.16Å
170L96.3Very high95.3Very high7 Ų772.4 Ų72.44%0.03736%0.363CS..PPolyproline II helixtrans-98.3152.6179.3-61.3171.4000109.7F161 K168 D174 F176 V183 C185F161-L170 HydrophobicContact CD1-CB 3.61Å; F161-L170 VanDerWaalsContact CD1-O 3.25Å; F161-L170 WeakPolarHBondContact CD1-O 3.41Å; F161-L170 HydrophobicContact CE1-CB 3.32Å; F161-L170 HydrophobicContact CE2-CB 4.37Å; F161-L170 HydrophobicContact CE2-CD1 4.24Å; F161-L170 HydrophobicContact CG-CB 4.25Å; F161-L170 HydrophobicContact CZ-CB 3.75Å; F161-L170 HydrophobicContact CZ-CD1 4.21Å; F161-L170 WeakPolarHBondContact O-CB 3.37Å; F161-L170 PolarHBondContact O-N 2.79Å; K168-L170 PolarHBondContact O-N 3Å; L170-D174 WeakPolarHBondContact CA-OD2 3.45Å; L170-D174 HydrophobicContact CD2-CB 4.31Å; L170-F176 HydrophobicContact CD1-CB 3.89Å; L170-V183 HydrophobicContact CD1-CB 4.39Å; L170-V183 HydrophobicContact CD1-CG2 4.1Å; L170-C185 HydrophobicContact CD2-CB 3.8Å
171K93.9Very high95.1Very high144 Ų14475.9 Ų75.963%0.62638%0.378SS*.  trans-104.4152.4170.7-61.3-178.9-177.4-178.40109.8F161 D173 D174F161-K171 WeakPolarHBondContact CE1-O 3.24Å; K171-D173 PolarHBondContact O-N 2.92Å; K171-D174 PolarHBondContact N-OD2 3.49Å; K171-D174 VanDerWaalsContact O-CB 3.32Å; K171-D174 WeakPolarHBondContact O-CB 3.15Å; K171-D174 PolarHBondContact O-N 2.85Å
172P90.3Very high95Very high79 Ų7978.1 Ų78.151%0.51339%0.389SS..THydrogen-bonded Turntrans-51-32179-28.135.1000114.2I149I149-P172 HydrophobicContact CG1-CG 4.3Å
173D92.4Very high94.9Very high159 Ų15974.5 Ų74.585%0.8537%0.374SS*.THydrogen-bonded Turntrans-84.6-9178.7-54.2-40000114.3K171K171-D173 PolarHBondContact O-N 2.92Å
174D94.3Very high94.9Very high52 Ų5275.2 Ų75.228%0.27838%0.376SS..SBendtrans-69.9141.5177.3-76.1-31.9000110.2L170 K171 F176L170-D174 WeakPolarHBondContact CA-OD2 3.45Å; L170-D174 HydrophobicContact CD2-CB 4.31Å; K171-D174 PolarHBondContact N-OD2 3.49Å; K171-D174 VanDerWaalsContact O-CB 3.32Å; K171-D174 WeakPolarHBondContact O-CB 3.15Å; K171-D174 PolarHBondContact O-N 2.85Å; D174-F176 WeakPolarHBondContact O-CD1 3.2Å; D174-F176 PolarHBondContact O-N 2.84Å
175K94.8Very high94.9Very high137 Ų13773.3 Ų73.360%0.59637%0.365SS*.  trans-67.5119.2167.3-172.8177.4178.1-1710110N186K175-N186 PolarHBondContact O-N 3.37Å
176F95.7Very high94.9Very high64 Ų6471.7 Ų71.728%0.28136%0.36SS..EExtended strand (participates in β ladder)trans-131.1164.1176.571-88.9000111.7L151 F161 L170 D174 V183 Y184L151-F176 HydrophobicContact CD2-CE2 3.75Å; L151-F176 HydrophobicContact CD2-CZ 4.14Å; F161-F176 HydrophobicContact CE2-CD1 4.08Å; F161-F176 HydrophobicContact CE2-CD2 4.16Å; F161-F176 HydrophobicContact CE2-CE1 4.2Å; F161-F176 HydrophobicContact CE2-CE2 4.27Å; F161-F176 HydrophobicContact CE2-CG 4.07Å; F161-F176 HydrophobicContact CE2-CZ 4.29Å; F161-F176 AromaticContact CZ-CD1 3.6Å; F161-F176 HydrophobicContact CZ-CD1 3.6Å; F161-F176 HydrophobicContact CZ-CD2 4.49Å; F161-F176 AromaticContact CZ-CE1 3.82Å; F161-F176 HydrophobicContact CZ-CE1 3.82Å; F161-F176 AromaticContact CZ-CG 3.97Å; F161-F176 HydrophobicContact CZ-CG 3.97Å; F161-F176 HydrophobicContact CZ-CZ 4.36Å; L170-F176 HydrophobicContact CD1-CB 3.89Å; D174-F176 WeakPolarHBondContact O-CD1 3.2Å; D174-F176 PolarHBondContact O-N 2.84Å; F176-V183 HydrophobicContact CD2-CG1 4.37Å; F176-Y184 CarbonylContact C-O 3.57Å; F176-Y184 VanDerWaalsContact CA-O 3.29Å; F176-Y184 WeakPolarHBondContact CA-O 3.47Å; F176-Y184 WeakPolarHBondContact CB-O 3.43Å
177F95.4Very high94.9Very high34 Ų3472.9 Ų72.915%0.14938%0.375CS..EExtended strand (participates in β ladder)trans-123.2141.3174.6-62.5-90.6000109.5V183 Y184 D189 F192F177-V183 CarbonylContact O-C 3.57Å; F177-V183 WeakPolarHBondContact O-CA 3.26Å; F177-Y184 PolarHBondContact N-O 3.27Å; F177-Y184 PolarHBondContact O-N 2.97Å; F177-D189 HydrophobicContact CB-CB 4.37Å; F177-D189 HydrophobicContact CD1-CB 4.42Å; F177-D189 HydrophobicContact CD2-CB 3.18Å; F177-D189 HydrophobicContact CE2-CB 3.34Å; F177-D189 VanDerWaalsContact CE2-OD2 3.29Å; F177-D189 WeakPolarHBondContact CE2-OD2 3.34Å; F177-D189 HydrophobicContact CG-CB 3.76Å; F177-D189 HydrophobicContact CZ-CB 4.03Å; F177-D189 VanDerWaalsContact CZ-OD2 3.29Å; F177-D189 WeakPolarHBondContact CZ-OD2 3.32Å; F177-F192 HydrophobicContact CB-CB 3.83Å; F177-F192 HydrophobicContact CB-CD1 4.03Å; F177-F192 HydrophobicContact CB-CD2 4.16Å; F177-F192 HydrophobicContact CB-CG 3.74Å; F177-F192 AromaticContact CD1-CD1 3.34Å; F177-F192 HydrophobicContact CD1-CD1 3.34Å; F177-F192 AromaticContact CD1-CE1 3.53Å; F177-F192 HydrophobicContact CD1-CE1 3.53Å; F177-F192 AromaticContact CD1-CG 3.97Å; F177-F192 HydrophobicContact CD1-CG 3.97Å; F177-F192 HydrophobicContact CD1-CZ 4.28Å; F177-F192 HydrophobicContact CE1-CD1 4.06Å; F177-F192 HydrophobicContact CE1-CE1 4.11Å; F177-F192 HydrophobicContact CG-CB 4.44Å; F177-F192 HydrophobicContact CG-CD1 4.01Å; F177-F192 HydrophobicContact CG-CG 4.22Å
178Q94.2Very high94.9Very high25 Ų2568.7 Ų68.712%0.11736%0.355CS..EExtended strand (participates in β ladder)trans-116.4130.9-176.3-176.9-163.5-2100110.2N180 N182 F192Q178-N180 WeakPolarHBondContact CG-O 3.07Å; Q178-N180 PolarHBondContact NE2-O 3.24Å; Q178-N182 WeakPolarHBondContact CA-O 2.88Å; Q178-F192 WeakPolarHBondContact O-CD2 3.31Å; Q178-F192 WeakPolarHBondContact O-CE2 3.28Å
179L93.1Very high94.7Very high51 Ų5163.5 Ų63.527%0.26733%0.333SS..EExtended strand (participates in β ladder)trans-129.5110.6167-17466.6000107.9E181 N182 Y184 A195L179-E181 PolarHBondContact O-N 3.42Å; L179-N182 PolarHBondContact N-O 3.44Å; L179-N182 WeakPolarHBondContact O-CB 3.43Å; L179-N182 PolarHBondContact O-N 3.28Å; L179-Y184 HydrophobicContact CB-CE2 3.94Å; L179-A195 HydrophobicContact CD1-CB 3.56Å; L179-A195 HydrophobicContact CD2-CB 4Å; L179-A195 HydrophobicContact CG-CB 4.45Å
180N90.4Very high94.6Very high118 Ų11864.6 Ų64.663%0.63134%0.339SS*.THydrogen-bonded Turntrans55.1-122.6-170.3-53.5-35.4000110.9V153 Q178V153-N180 WeakPolarHBondContact CG2-O 3.43Å; Q178-N180 WeakPolarHBondContact CG-O 3.07Å; Q178-N180 PolarHBondContact NE2-O 3.24Å
181E92.4Very high94.3Very high93 Ų9365.9 Ų65.944%0.43535%0.348SS..THydrogen-bonded Turntrans-88.7-3.217663.5-175.1-168.700114.1V153 L179V153-E181 HydrophobicContact CG2-CB 4.38Å; L179-E181 PolarHBondContact O-N 3.42Å
182N94.9Very high94.1Very high46 Ų4661.8 Ų61.825%0.24633%0.33CS..EExtended strand (participates in β ladder)trans-90.8138.8-179.2-68.9-32.8000111.3V164 Q178 L179 Y184V164-N182 HydrophobicContact CG2-CB 3.82Å; Q178-N182 WeakPolarHBondContact CA-O 2.88Å; L179-N182 PolarHBondContact N-O 3.44Å; L179-N182 WeakPolarHBondContact O-CB 3.43Å; L179-N182 PolarHBondContact O-N 3.28Å; N182-Y184 HydrophobicContact CB-CE2 3.7Å
183V96.3Very high94.2Very high0 Ų064.8 Ų64.80%033%0.331CS..EExtended strand (participates in β ladder)trans-115.5141174.5-60.80000110.2L151 I156 F161 K162 C163 V164 L170 F176 F177L151-V183 HydrophobicContact CD1-CG1 3.76Å; L151-V183 HydrophobicContact CD2-CG1 3.87Å; I156-V183 HydrophobicContact CD1-CG1 4.47Å; F161-V183 HydrophobicContact CD2-CB 4.45Å; F161-V183 HydrophobicContact CD2-CG1 4.13Å; F161-V183 HydrophobicContact CD2-CG2 4.05Å; F161-V183 HydrophobicContact CE2-CB 4.38Å; F161-V183 HydrophobicContact CE2-CG1 4.1Å; F161-V183 HydrophobicContact CE2-CG2 4.4Å; K162-V183 WeakPolarHBondContact O-CG2 3.25Å; C163-V183 CarbonylContact C-O 3.6Å; C163-V183 VanDerWaalsContact CA-O 3.3Å; C163-V183 WeakPolarHBondContact CA-O 3.46Å; V164-V183 PolarHBondContact N-O 2.84Å; L170-V183 HydrophobicContact CD1-CB 4.39Å; L170-V183 HydrophobicContact CD1-CG2 4.1Å; F176-V183 HydrophobicContact CD2-CG1 4.37Å; F177-V183 CarbonylContact O-C 3.57Å; F177-V183 WeakPolarHBondContact O-CA 3.26Å
184Y97.1Very high94.2Very high15 Ų1565.9 Ų65.96%0.05932%0.324CS..EExtended strand (participates in β ladder)trans-126135.9-177.6-59.8-93.1000109V164 E165 F176 F177 L179 N182 C188 P191V164-Y184 HydrophobicContact CB-CE1 4.4Å; E165-Y184 HydrophobicContact CG-CD1 3.75Å; E165-Y184 HydrophobicContact CG-CE1 3.77Å; F176-Y184 CarbonylContact C-O 3.57Å; F176-Y184 VanDerWaalsContact CA-O 3.29Å; F176-Y184 WeakPolarHBondContact CA-O 3.47Å; F176-Y184 WeakPolarHBondContact CB-O 3.43Å; F177-Y184 PolarHBondContact N-O 3.27Å; F177-Y184 PolarHBondContact O-N 2.97Å; L179-Y184 HydrophobicContact CB-CE2 3.94Å; N182-Y184 HydrophobicContact CB-CE2 3.7Å; Y184-C188 VanDerWaalsContact CD1-O 3.31Å; Y184-C188 WeakPolarHBondContact CD1-O 3.17Å; Y184-P191 HydrophobicContact CD1-CB 4.41Å; Y184-P191 HydrophobicContact CD1-CG 4.03Å; Y184-P191 HydrophobicContact CE1-CB 3.82Å; Y184-P191 HydrophobicContact CE1-CG 3.59Å
185C97.3Very high94Very high8 Ų865 Ų655%0.05432%0.323CS..EExtended strand (participates in β ladder)trans-72.4166.3172.874.60000110.4C163 C166 L170 A187 C188 D189C163-C185 HydrophobicContact CB-CB 3.98Å; C163-C185 PolarHBondContact SG-N 3.17Å; C163-C185 VanDerWaalsContact SG-N 3.38Å; C166-C185 VanDerWaalsContact SG-SG 3.7Å; L170-C185 HydrophobicContact CD2-CB 3.8Å; C185-A187 PolarHBondContact O-N 3.23Å; C185-C188 CarbonylContact O-C 3.54Å; C185-C188 PolarHBondContact O-N 2.79Å; C185-C188 VanDerWaalsContact SG-SG 3.63Å; C185-D189 PolarHBondContact O-N 3.1Å
186N95.6Very high93.6Very high82 Ų8264 Ų6444%0.43932%0.319SS..THydrogen-bonded Turntrans-56.4-24.9178.6-172.164.7000114.7K175K175-N186 PolarHBondContact O-N 3.37Å
187A96.4Very high93.2Very high89 Ų8968.3 Ų68.374%0.73633%0.334SS*.THydrogen-bonded Turntrans-85.2-15.9177.500000114.1C185C185-A187 PolarHBondContact O-N 3.23Å
188C97Very high92.8Very high27 Ų2770.7 Ų70.718%0.18235%0.352CS..SBendtrans-120.126.1-174.4-61.50000111.7E165 Y184 C185 M190 P191E165-C188 HydrophobicContact CB-CB 3.78Å; E165-C188 HydrophobicContact CG-CB 3.96Å; Y184-C188 VanDerWaalsContact CD1-O 3.31Å; Y184-C188 WeakPolarHBondContact CD1-O 3.17Å; C185-C188 CarbonylContact O-C 3.54Å; C185-C188 PolarHBondContact O-N 2.79Å; C185-C188 VanDerWaalsContact SG-SG 3.63Å; C188-M190 PolarHBondContact O-N 3.37Å; C188-P191 WeakPolarHBondContact O-CD 3.38Å
189D94.3Very high92.3Very high8 Ų874.2 Ų74.24%0.04337%0.367CS..  trans-80.1-0.6-172.474-14.8000114.4F177 C185 F192 R193F177-D189 HydrophobicContact CB-CB 4.37Å; F177-D189 HydrophobicContact CD1-CB 4.42Å; F177-D189 HydrophobicContact CD2-CB 3.18Å; F177-D189 HydrophobicContact CE2-CB 3.34Å; F177-D189 VanDerWaalsContact CE2-OD2 3.29Å; F177-D189 WeakPolarHBondContact CE2-OD2 3.34Å; F177-D189 HydrophobicContact CG-CB 3.76Å; F177-D189 HydrophobicContact CZ-CB 4.03Å; F177-D189 VanDerWaalsContact CZ-OD2 3.29Å; F177-D189 WeakPolarHBondContact CZ-OD2 3.32Å; C185-D189 PolarHBondContact O-N 3.1Å; D189-F192 WeakPolarHBondContact O-CA 3.35Å; D189-F192 WeakPolarHBondContact O-CB 3.47Å; D189-F192 PolarHBondContact O-N 2.87Å; D189-R193 PolarHBondContact O-N 3.46Å; D189-R193 IonicContact OD1-CZ 3.02Å; D189-R193 IonicContact OD1-NE 3.5Å; D189-R193 PolarHBondContact OD1-NE 3.38Å; D189-R193 VanDerWaalsContact OD1-NE 3.14Å; D189-R193 IonicContact OD1-NH2 3.44Å; D189-R193 PolarHBondContact OD1-NH2 2.97Å; D189-R193 IonicContact OD2-CZ 3.64Å; D189-R193 IonicContact OD2-NE 3.87Å; D189-R193 PolarHBondContact OD2-NE 3.42Å; D189-R193 IonicContact OD2-NH2 2.75Å; D189-R193 PolarHBondContact OD2-NH2 2.66Å
190M94.3Very high91.8Very high119 Ų11975.9 Ų75.959%0.58638%0.376SS*.Hα-helixtrans-51.1-44.8179.6-75.9-67.7-148.500113.7C188 F192 R193 R194C188-M190 PolarHBondContact O-N 3.37Å; M190-F192 VanDerWaalsContact C-N 3.32Å; M190-F192 PolarHBondContact O-N 2.96Å; M190-R193 PolarHBondContact O-N 2.84Å; M190-R194 WeakPolarHBondContact O-CB 3.39Å; M190-R194 WeakPolarHBondContact O-CG 3.23Å; M190-R194 PolarHBondContact O-N 3.01Å
191P90.3Very high91.4Very high34 Ų3475.5 Ų75.522%0.22137%0.373CS..Hα-helixtrans-60.4-40.3176.6-2638.6000112.8Y184 C188 A195Y184-P191 HydrophobicContact CD1-CB 4.41Å; Y184-P191 HydrophobicContact CD1-CG 4.03Å; Y184-P191 HydrophobicContact CE1-CB 3.82Å; Y184-P191 HydrophobicContact CE1-CG 3.59Å; C188-P191 WeakPolarHBondContact O-CD 3.38Å; P191-A195 WeakPolarHBondContact O-CB 3.47Å; P191-A195 PolarHBondContact O-N 2.9Å
192F90Very high90.8Very high58 Ų5876 Ų7625%0.25438%0.383SS..Hα-helixtrans-65.5-46.2175177.2-94.5000111.8F177 Q178 D189 M190 R194 A195 K196F177-F192 HydrophobicContact CB-CB 3.83Å; F177-F192 HydrophobicContact CB-CD1 4.03Å; F177-F192 HydrophobicContact CB-CD2 4.16Å; F177-F192 HydrophobicContact CB-CG 3.74Å; F177-F192 AromaticContact CD1-CD1 3.34Å; F177-F192 HydrophobicContact CD1-CD1 3.34Å; F177-F192 AromaticContact CD1-CE1 3.53Å; F177-F192 HydrophobicContact CD1-CE1 3.53Å; F177-F192 AromaticContact CD1-CG 3.97Å; F177-F192 HydrophobicContact CD1-CG 3.97Å; F177-F192 HydrophobicContact CD1-CZ 4.28Å; F177-F192 HydrophobicContact CE1-CD1 4.06Å; F177-F192 HydrophobicContact CE1-CE1 4.11Å; F177-F192 HydrophobicContact CG-CB 4.44Å; F177-F192 HydrophobicContact CG-CD1 4.01Å; F177-F192 HydrophobicContact CG-CG 4.22Å; Q178-F192 WeakPolarHBondContact O-CD2 3.31Å; Q178-F192 WeakPolarHBondContact O-CE2 3.28Å; D189-F192 WeakPolarHBondContact O-CA 3.35Å; D189-F192 WeakPolarHBondContact O-CB 3.47Å; D189-F192 PolarHBondContact O-N 2.87Å; M190-F192 VanDerWaalsContact C-N 3.32Å; M190-F192 PolarHBondContact O-N 2.96Å; F192-R194 VanDerWaalsContact C-N 3.31Å; F192-R194 PolarHBondContact O-N 3.32Å; F192-A195 PolarHBondContact O-N 2.94Å; F192-K196 HydrophobicContact CE1-CD 4.49Å; F192-K196 WeakPolarHBondContact O-CB 3.48Å; F192-K196 PolarHBondContact O-N 2.93Å
193R91.4Very high89.6Confident142 Ų14282.7 Ų82.754%0.53641%0.405SS..Hα-helixtrans-59.8-41.6177.8-67.7-170.8-170.4-167.210.3112D189 M190 K196 Y197D189-R193 PolarHBondContact O-N 3.46Å; D189-R193 IonicContact OD1-CZ 3.02Å; D189-R193 IonicContact OD1-NE 3.5Å; D189-R193 PolarHBondContact OD1-NE 3.38Å; D189-R193 VanDerWaalsContact OD1-NE 3.14Å; D189-R193 IonicContact OD1-NH2 3.44Å; D189-R193 PolarHBondContact OD1-NH2 2.97Å; D189-R193 IonicContact OD2-CZ 3.64Å; D189-R193 IonicContact OD2-NE 3.87Å; D189-R193 PolarHBondContact OD2-NE 3.42Å; D189-R193 IonicContact OD2-NH2 2.75Å; D189-R193 PolarHBondContact OD2-NH2 2.66Å; M190-R193 PolarHBondContact O-N 2.84Å; R193-K196 PolarHBondContact O-N 2.79Å; R193-Y197 WeakPolarHBondContact O-CB 3.31Å; R193-Y197 PolarHBondContact O-N 3.42Å
194R92.1Very high87.7Confident182 Ų18285.8 Ų85.869%0.68744%0.437SS*.Hα-helixtrans-63.4-47.5175.8-75.7178.9174.2174.2-1.3111.7M190 F192 K196 Y197 V198M190-R194 WeakPolarHBondContact O-CB 3.39Å; M190-R194 WeakPolarHBondContact O-CG 3.23Å; M190-R194 PolarHBondContact O-N 3.01Å; F192-R194 VanDerWaalsContact C-N 3.31Å; F192-R194 PolarHBondContact O-N 3.32Å; R194-K196 VanDerWaalsContact C-N 3.32Å; R194-K196 PolarHBondContact O-N 2.9Å; R194-Y197 PolarHBondContact O-N 2.91Å; R194-V198 WeakPolarHBondContact O-CG2 3.33Å; R194-V198 PolarHBondContact O-N 3.01Å
195A90.1Very high85.5Confident33 Ų3388 Ų8827%0.27347%0.465SS..Hα-helixtrans-60.8-42.4177.900000111.9L179 P191 F192 V198 F199L179-A195 HydrophobicContact CD1-CB 3.56Å; L179-A195 HydrophobicContact CD2-CB 4Å; L179-A195 HydrophobicContact CG-CB 4.45Å; P191-A195 WeakPolarHBondContact O-CB 3.47Å; P191-A195 PolarHBondContact O-N 2.9Å; F192-A195 PolarHBondContact O-N 2.94Å; A195-V198 PolarHBondContact O-N 3.23Å; A195-F199 WeakPolarHBondContact O-CB 3.3Å; A195-F199 PolarHBondContact O-N 3.34Å
196K86.6Confident83.1Confident117 Ų11793.9 Ų93.951%0.50950%0.503SS..Hα-helixtrans-62.7-46.2174.8-173.2-178.5175.6-172.20112F192 R193 R194 V198 F199 D200F192-K196 HydrophobicContact CE1-CD 4.49Å; F192-K196 WeakPolarHBondContact O-CB 3.48Å; F192-K196 PolarHBondContact O-N 2.93Å; R193-K196 PolarHBondContact O-N 2.79Å; R194-K196 VanDerWaalsContact C-N 3.32Å; R194-K196 PolarHBondContact O-N 2.9Å; K196-V198 PolarHBondContact O-N 3.4Å; K196-F199 WeakPolarHBondContact O-CB 3.23Å; K196-F199 PolarHBondContact O-N 3.16Å; K196-D200 VanDerWaalsContact O-CG 3.26Å; K196-D200 PolarHBondContact O-N 2.93Å
197Y88.3Confident80.6Confident153 Ų15397.2 Ų97.260%0.656%0.556SS**Hα-helixtrans-58.5-45.2177.6177.4-102.9000112.4R193 R194 D200 L201R193-Y197 WeakPolarHBondContact O-CB 3.31Å; R193-Y197 PolarHBondContact O-N 3.42Å; R194-Y197 PolarHBondContact O-N 2.91Å; Y197-D200 PolarHBondContact O-N 3.31Å; Y197-L201 HydrophobicContact CD1-CD1 3.96Å; Y197-L201 HydrophobicContact CE1-CD1 3.39Å; Y197-L201 HydrophobicContact CE1-CG 4.3Å; Y197-L201 HydrophobicContact CE2-CD1 4.36Å; Y197-L201 HydrophobicContact CE2-CG 4.48Å; Y197-L201 WeakPolarHBondContact O-CG 3.17Å; Y197-L201 PolarHBondContact O-N 3.4Å; Y197-L201 VanDerWaalsContact O-N 3.11Å
198V87.1Confident79.8Confident85 Ų8597.6 Ų97.652%0.51555%0.547SS..Hα-helixtrans-62.5-44.3175.61730000111.1R194 A195 K196 D200 L201 T202R194-V198 WeakPolarHBondContact O-CG2 3.33Å; R194-V198 PolarHBondContact O-N 3.01Å; A195-V198 PolarHBondContact O-N 3.23Å; K196-V198 PolarHBondContact O-N 3.4Å; V198-D200 PolarHBondContact O-N 2.88Å; V198-L201 PolarHBondContact O-N 2.97Å; V198-T202 WeakPolarHBondContact O-CG2 3.33Å; V198-T202 PolarHBondContact O-N 2.98Å; V198-T202 VanDerWaalsContact O-N 3.11Å; V198-T202 PolarHBondContact O-OG1 2.96Å
199F82.4Confident78.9Confident99 Ų99101.3 Ų101.343%0.43457%0.566SS.*Hα-helixtrans-60.1-45.1177.7178.1-94.2000112.5A195 K196 L201 T202 R203A195-F199 WeakPolarHBondContact O-CB 3.3Å; A195-F199 PolarHBondContact O-N 3.34Å; K196-F199 WeakPolarHBondContact O-CB 3.23Å; K196-F199 PolarHBondContact O-N 3.16Å; F199-L201 PolarHBondContact O-N 3.39Å; F199-T202 PolarHBondContact O-N 3.32Å; F199-T202 PolarHBondContact O-OG1 2.8Å; F199-R203 PolarHBondContact O-N 3.03Å
200D84.3Confident78Confident85 Ų85106.5 Ų106.546%0.45560%0.595SS.*Hα-helixtrans-63-41.5179.2-67.5-20.6000111.3K196 Y197 V198 T202 R203K196-D200 VanDerWaalsContact O-CG 3.26Å; K196-D200 PolarHBondContact O-N 2.93Å; Y197-D200 PolarHBondContact O-N 3.31Å; V198-D200 PolarHBondContact O-N 2.88Å; D200-T202 PolarHBondContact O-N 3.16Å; D200-R203 PolarHBondContact O-N 2.99Å
201L81.1Confident77.1Confident110 Ų110105.8 Ų105.858%0.57660%0.596SS**Hα-helixtrans-61.6-39.1174.4-75.5175.3000113.1Y197 V198 F199 R203Y197-L201 HydrophobicContact CD1-CD1 3.96Å; Y197-L201 HydrophobicContact CE1-CD1 3.39Å; Y197-L201 HydrophobicContact CE1-CG 4.3Å; Y197-L201 HydrophobicContact CE2-CD1 4.36Å; Y197-L201 HydrophobicContact CE2-CG 4.48Å; Y197-L201 WeakPolarHBondContact O-CG 3.17Å; Y197-L201 PolarHBondContact O-N 3.4Å; Y197-L201 VanDerWaalsContact O-N 3.11Å; V198-L201 PolarHBondContact O-N 2.97Å; F199-L201 PolarHBondContact O-N 3.39Å; L201-R203 PolarHBondContact O-N 2.74Å
202T79.1Confident76.3Confident105 Ų105110.3 Ų110.364%0.64462%0.619SS**Hα-helixtrans-71.4-15.1-179.458.20000114.1V198 F199 D200V198-T202 WeakPolarHBondContact O-CG2 3.33Å; V198-T202 PolarHBondContact O-N 2.98Å; V198-T202 VanDerWaalsContact O-N 3.11Å; V198-T202 PolarHBondContact O-OG1 2.96Å; F199-T202 PolarHBondContact O-N 3.32Å; F199-T202 PolarHBondContact O-OG1 2.8Å; D200-T202 PolarHBondContact O-N 3.16Å
203R70.4Confident75.3Confident185 Ų185113.7 Ų113.770%0.69864%0.644SS**THydrogen-bonded Turntrans-106.12.2-177.6-71.2-172.4162.9-179.2-0.5114.7F199 D200 L201 G205F199-R203 PolarHBondContact O-N 3.03Å; D200-R203 PolarHBondContact O-N 2.99Å; L201-R203 PolarHBondContact O-N 2.74Å; R203-G205 PolarHBondContact O-N 3.09Å
204G55.5Low74.2Confident66 Ų66111.7 Ų111.768%0.6865%0.651SS**THydrogen-bonded Turntrans56.343.9160.600000115.9
205G51.7Low72.8Confident62 Ų62106.3 Ų106.364%0.63965%0.648SS**  trans-80.4138.516600000110.7R203R203-G205 PolarHBondContact O-N 3.09Å
206P47.1Very low71.4Confident131 Ų131112.4 Ų112.485%0.85168%0.68SS**  trans-71.5146.2-167.927.9-28.4000111.7
207G42.8Very low70Confident151 Ų151112 Ų112100%1.55770%0.695SS**  trans-69.80165.900000113.2

Retrieved 207 of 207 residues in 396.7 ms (Link to these results)

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