A0A077Z9C2_TRITR Loading...

Cytochrome b5 reductase 4

AlphaFold DB , UniProt , Accession A0A077Z9C2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M49.7Very low63.1Low239 Ų239176.2 Ų176.2100%1.17778%0.782SS**  097.90-160.6-173.3-72.900106.7K3M1-K3 PolarHBondContact O-N 3.38Å
2E54Low64.1Low192 Ų192172.5 Ų172.590%0.89777%0.768SS**  trans-74.4121.9-176.8-162168.9-159.100108.6R4E2-R4 PolarHBondContact O-N 2.84Å
3K53Low65.2Low191 Ų191173.1 Ų173.183%0.8377%0.769SS**  trans-69114.2177-69.9-176.7178.21800107.2M1 I5M1-K3 PolarHBondContact O-N 3.38Å; K3-I5 PolarHBondContact O-N 3.03Å
4R61.6Low66.5Low187 Ų187167.7 Ų167.771%0.70675%0.752SS**  trans-58104164.4-90.3-175.8173.4-178.6-1107.5E2 F6E2-R4 PolarHBondContact O-N 2.84Å; R4-F6 HydrophobicContact CB-CE2 4.31Å; R4-F6 HydrophobicContact CB-CZ 4.38Å; R4-F6 PolarHBondContact O-N 3.14Å; R4-F6 VanDerWaalsContact O-N 3.15Å
5I63.8Low67.9Low158 Ų158156.8 Ų156.881%0.8170%0.703SS**  trans-76.3100.7171-61.3175.6000106K3 R7K3-I5 PolarHBondContact O-N 3.03Å; I5-R7 PolarHBondContact O-N 3.11Å
6F68.2Low69.4Low157 Ų157149.6 Ų149.669%0.68968%0.678SS**  trans-67.4114.3167.6-64.8-77.7000108R4 R8R4-F6 HydrophobicContact CB-CE2 4.31Å; R4-F6 HydrophobicContact CB-CZ 4.38Å; R4-F6 PolarHBondContact O-N 3.14Å; R4-F6 VanDerWaalsContact O-N 3.15Å; F6-R8 PolarHBondContact O-N 3.43Å
7R69.8Low70.8Confident227 Ų227147.6 Ų147.686%0.85767%0.673SS**  trans-61.7127.1170.5-178.7-179.2176.8-175-0.4107.7I5 V9I5-R7 PolarHBondContact O-N 3.11Å; R7-V9 PolarHBondContact O-N 2.56Å
8R67.5Low72.1Confident228 Ų228143.3 Ų143.386%0.8667%0.668SS**  trans-59.3112.4170.7-175.9176.1177.7176.2-0.1108.7F6F6-R8 PolarHBondContact O-N 3.43Å
9V68.5Low73.3Confident76 Ų76139.5 Ų139.546%0.46165%0.65SS.*PPolyproline II helixtrans-74.5125.7169.8-178.30000107.1R7 L11R7-V9 PolarHBondContact O-N 2.56Å; V9-L11 PolarHBondContact O-N 3.26Å
10K69.8Low74.5Confident190 Ų190132.6 Ų132.683%0.82662%0.618SS**PPolyproline II helixtrans-75.6123.1166.7-74.1-175.4179.8-179.70106.5E12K10-E12 PolarHBondContact O-N 2.96Å
11L67.8Low75.5Confident93 Ų93130.8 Ų130.849%0.48761%0.611SS.*PPolyproline II helixtrans-60.5135.2168.5-64.3177.5000108.2V9 P71V9-L11 PolarHBondContact O-N 3.26Å; L11-P71 HydrophobicContact CD2-CB 4.25Å
12E75.1Confident77.8Confident132 Ų132125.7 Ų125.762%0.61758%0.584SS**PPolyproline II helixtrans-59.6158.6167.2-65.3-178177.900109.6K10 D14 C15K10-E12 PolarHBondContact O-N 2.96Å; E12-D14 PolarHBondContact O-N 2.86Å; E12-C15 HydrophobicContact CB-CB 4.31Å; E12-C15 PolarHBondContact O-N 2.79Å
13K79.3Confident79.8Confident180 Ų180120.7 Ų120.778%0.78356%0.558SS**THydrogen-bonded Turntrans-56.9140.9172.6-69.4-175.1178.4-177.70108.9C15K13-C15 PolarHBondContact O-N 2.9Å
14D83Confident81.9Confident98 Ų98112 Ų11252%0.52452%0.52SS..THydrogen-bonded Turntrans63.623.7176.5-41.8-41.9000114.6E12 H19 F69E12-D14 PolarHBondContact O-N 2.86Å; D14-H19 WeakPolarHBondContact O-CB 3.27Å; D14-H19 IonicContact OD1-NE2 3.64Å; D14-F69 VanDerWaalsContact O-CE1 3.28Å; D14-F69 WeakPolarHBondContact O-CE1 3.49Å
15C88.2Confident83.5Confident4 Ų4106.6 Ų106.63%0.02751%0.511CS..  trans-113.431177.6-66.20000113.2E12 K13 R68 F69E12-C15 HydrophobicContact CB-CB 4.31Å; E12-C15 PolarHBondContact O-N 2.79Å; K13-C15 PolarHBondContact O-N 2.9Å; C15-R68 WeakPolarHBondContact CB-O 3.44Å; C15-R68 PolarHBondContact SG-O 2.96Å; C15-F69 HydrophobicContact CB-CD1 4.36Å
16S91.7Very high85.1Confident42 Ų42103.9 Ų103.929%0.29450%0.502SS..SBendtrans-82.5166.8172.180.80000111.6A18 H19 W20S16-A18 PolarHBondContact O-N 2.87Å; S16-A18 PolarHBondContact OG-N 3.38Å; S16-H19 PolarHBondContact O-N 2.98Å; S16-H19 VanDerWaalsContact O-N 3.11Å; S16-H19 PolarHBondContact OG-N 3.21Å; S16-H19 PolarHBondContact OG-ND1 3.46Å; S16-W20 PolarHBondContact O-N 3.22Å
17L92.1Very high86.4Confident115 Ų11598.4 Ų98.460%0.60248%0.48SS*.Hα-helixtrans-55.5-39.5172.7179.860.4000112H19 W20 M21 L101L17-H19 PolarHBondContact O-N 2.77Å; L17-W20 WeakPolarHBondContact O-CB 3.44Å; L17-W20 PolarHBondContact O-N 2.81Å; L17-M21 HydrophobicContact CD1-CG 4.19Å; L17-M21 HydrophobicContact CD1-SD 4.47Å; L17-M21 HydrophobicContact CG-CG 4.38Å; L17-M21 VanDerWaalsContact O-CG 3.3Å; L17-M21 WeakPolarHBondContact O-CG 3.34Å; L17-M21 PolarHBondContact O-N 2.86Å; L17-L101 HydrophobicContact CD1-CD1 3.53Å
18A94.5Very high87.7Confident70 Ų7092.2 Ų92.258%0.57947%0.469SS*.Hα-helixtrans-63.2-42.5177.500000111.9S16 W20 M21 Q22S16-A18 PolarHBondContact O-N 2.87Å; S16-A18 PolarHBondContact OG-N 3.38Å; A18-W20 VanDerWaalsContact C-N 3.34Å; A18-M21 PolarHBondContact O-N 3.2Å; A18-Q22 WeakPolarHBondContact O-CB 3.45Å; A18-Q22 PolarHBondContact O-N 3.11Å
19H95.5Very high89.1Confident71 Ų7182.8 Ų82.833%0.32944%0.435SS..Hα-helixtrans-65.9-37.4175.3-63.7100.9000112D14 S16 L17 Q22 Y23 F69D14-H19 WeakPolarHBondContact O-CB 3.27Å; D14-H19 IonicContact OD1-NE2 3.64Å; S16-H19 PolarHBondContact O-N 2.98Å; S16-H19 VanDerWaalsContact O-N 3.11Å; S16-H19 PolarHBondContact OG-N 3.21Å; S16-H19 PolarHBondContact OG-ND1 3.46Å; L17-H19 PolarHBondContact O-N 2.77Å; H19-Q22 PolarHBondContact O-N 3.37Å; H19-Y23 VanDerWaalsContact O-CB 3.23Å; H19-Y23 WeakPolarHBondContact O-CB 3.37Å; H19-Y23 PolarHBondContact O-N 3.24Å; H19-F69 HydrophobicContact CB-CE1 4.04Å
20W96.5Very high90.5Very high1 Ų181.9 Ų81.90%0.00443%0.426CS..Hα-helixtrans-60.6-50.6171.9168.3-117.3000111.6S16 L17 A18 Q22 Y23 I24 Y66 F69 L101 L102S16-W20 PolarHBondContact O-N 3.22Å; L17-W20 WeakPolarHBondContact O-CB 3.44Å; L17-W20 PolarHBondContact O-N 2.81Å; A18-W20 VanDerWaalsContact C-N 3.34Å; W20-Q22 VanDerWaalsContact C-N 3.26Å; W20-Q22 PolarHBondContact O-N 2.88Å; W20-Y23 HydrophobicContact CE3-CD1 4.11Å; W20-Y23 AromaticContact CZ3-CD1 3.96Å; W20-Y23 HydrophobicContact CZ3-CD1 3.96Å; W20-Y23 PolarHBondContact O-N 2.8Å; W20-Y23 VanDerWaalsContact O-N 3.09Å; W20-I24 HydrophobicContact CD2-CB 4.16Å; W20-I24 HydrophobicContact CE3-CB 4.18Å; W20-I24 HydrophobicContact CH2-CB 3.82Å; W20-I24 HydrophobicContact CH2-CD1 3.77Å; W20-I24 HydrophobicContact CH2-CG1 3.59Å; W20-I24 HydrophobicContact CZ2-CB 3.8Å; W20-I24 HydrophobicContact CZ2-CD1 3.22Å; W20-I24 HydrophobicContact CZ2-CG1 3.57Å; W20-I24 HydrophobicContact CZ3-CB 4Å; W20-I24 HydrophobicContact CZ3-CG1 4.25Å; W20-I24 WeakPolarHBondContact O-CB 3.36Å; W20-I24 WeakPolarHBondContact O-CG2 3.42Å; W20-I24 PolarHBondContact O-N 3.1Å; W20-Y66 AromaticContact CD2-CD2 3.69Å; W20-Y66 HydrophobicContact CD2-CD2 3.69Å; W20-Y66 HydrophobicContact CD2-CE2 4.25Å; W20-Y66 AromaticContact CE2-CD2 3.6Å; W20-Y66 HydrophobicContact CE3-CD2 4.01Å; W20-Y66 HydrophobicContact CG-CD2 4.18Å; W20-Y66 HydrophobicContact CG-CE2 4.26Å; W20-Y66 HydrophobicContact CH2-CD2 4.13Å; W20-Y66 HydrophobicContact CH2-CG 4.43Å; W20-Y66 AromaticContact CZ2-CD2 3.8Å; W20-Y66 HydrophobicContact CZ2-CD2 3.8Å; W20-Y66 HydrophobicContact CZ2-CG 4.31Å; W20-Y66 HydrophobicContact CZ3-CD2 4.23Å; W20-F69 HydrophobicContact CB-CB 4.18Å; W20-F69 HydrophobicContact CB-CD1 3.75Å; W20-F69 HydrophobicContact CB-CE1 4.34Å; W20-F69 HydrophobicContact CB-CG 4Å; W20-F69 HydrophobicContact CD2-CG 4.5Å; W20-F69 HydrophobicContact CE3-CB 4.45Å; W20-F69 AromaticContact CE3-CD2 3.64Å; W20-F69 HydrophobicContact CE3-CD2 3.64Å; W20-F69 AromaticContact CE3-CE2 3.96Å; W20-F69 HydrophobicContact CE3-CE2 3.96Å; W20-F69 AromaticContact CE3-CG 3.98Å; W20-F69 HydrophobicContact CE3-CG 3.98Å; W20-F69 HydrophobicContact CZ3-CD2 4.19Å; W20-F69 HydrophobicContact CZ3-CE2 4.42Å; W20-L101 HydrophobicContact CG-CD1 4.46Å; W20-L101 WeakPolarHBondContact CZ2-O 3.46Å; W20-L101 PolarHBondContact NE1-O 2.95Å; W20-L102 HydrophobicContact CZ2-CD2 4.26Å
21M96.8Very high91.8Very high95 Ų9575.6 Ų75.647%0.46841%0.406SS..Hα-helixtrans-61.9-36.1-179.2-67.1-55.9-66.700112.1L17 A18 I24 S25L17-M21 HydrophobicContact CD1-CG 4.19Å; L17-M21 HydrophobicContact CD1-SD 4.47Å; L17-M21 HydrophobicContact CG-CG 4.38Å; L17-M21 VanDerWaalsContact O-CG 3.3Å; L17-M21 WeakPolarHBondContact O-CG 3.34Å; L17-M21 PolarHBondContact O-N 2.86Å; A18-M21 PolarHBondContact O-N 3.2Å; M21-I24 WeakPolarHBondContact O-CG2 3.45Å; M21-S25 PolarHBondContact O-N 3.41Å
22Q96.4Very high93.2Very high132 Ų13278.9 Ų78.962%0.61742%0.417SS*.Hα-helixtrans-66.5-48172-174.9177.7-2.900111.2A18 H19 W20 S25A18-Q22 WeakPolarHBondContact O-CB 3.45Å; A18-Q22 PolarHBondContact O-N 3.11Å; H19-Q22 PolarHBondContact O-N 3.37Å; W20-Q22 VanDerWaalsContact C-N 3.26Å; W20-Q22 PolarHBondContact O-N 2.88Å; Q22-S25 PolarHBondContact O-N 3.46Å; Q22-S25 PolarHBondContact O-OG 2.84Å
23Y96.2Very high94.3Very high87 Ų8776.8 Ų76.834%0.34141%0.41SS..Hα-helixtrans-65.8-47.5-177.7-178.5-117.3000112.9H19 W20 S25 T26 L27 F69H19-Y23 VanDerWaalsContact O-CB 3.23Å; H19-Y23 WeakPolarHBondContact O-CB 3.37Å; H19-Y23 PolarHBondContact O-N 3.24Å; W20-Y23 HydrophobicContact CE3-CD1 4.11Å; W20-Y23 AromaticContact CZ3-CD1 3.96Å; W20-Y23 HydrophobicContact CZ3-CD1 3.96Å; W20-Y23 PolarHBondContact O-N 2.8Å; W20-Y23 VanDerWaalsContact O-N 3.09Å; Y23-S25 PolarHBondContact O-N 3.29Å; Y23-S25 VanDerWaalsContact O-N 3.12Å; Y23-T26 PolarHBondContact O-N 3.16Å; Y23-T26 PolarHBondContact O-OG1 2.92Å; Y23-L27 HydrophobicContact CD1-CD1 4.24Å; Y23-L27 HydrophobicContact CE1-CD1 3.81Å; Y23-L27 HydrophobicContact CE1-CG 4.43Å; Y23-L27 HydrophobicContact CE2-CD2 4.36Å; Y23-F69 HydrophobicContact CD1-CD2 4.47Å; Y23-F69 AromaticContact CD1-CE2 3.43Å; Y23-F69 HydrophobicContact CD1-CE2 3.43Å; Y23-F69 VanDerWaalsContact CD1-CE2 3.43Å; Y23-F69 AromaticContact CD1-CZ 3.69Å; Y23-F69 HydrophobicContact CD1-CZ 3.69Å; Y23-F69 AromaticContact CE1-CE2 3.92Å; Y23-F69 HydrophobicContact CE1-CE2 3.92Å; Y23-F69 HydrophobicContact CE1-CZ 4.46Å; Y23-F69 HydrophobicContact CG-CE2 4.15Å; Y23-F69 AromaticContact CG-CZ 3.92Å; Y23-F69 HydrophobicContact CG-CZ 3.92Å
24I96.9Very high95.1Very high10 Ų1076.2 Ų76.25%0.05141%0.41CS..Hα-helixtrans-61.1-26.6179.2-158.3-170.2000112W20 M21 T26 L27 R104W20-I24 HydrophobicContact CD2-CB 4.16Å; W20-I24 HydrophobicContact CE3-CB 4.18Å; W20-I24 HydrophobicContact CH2-CB 3.82Å; W20-I24 HydrophobicContact CH2-CD1 3.77Å; W20-I24 HydrophobicContact CH2-CG1 3.59Å; W20-I24 HydrophobicContact CZ2-CB 3.8Å; W20-I24 HydrophobicContact CZ2-CD1 3.22Å; W20-I24 HydrophobicContact CZ2-CG1 3.57Å; W20-I24 HydrophobicContact CZ3-CB 4Å; W20-I24 HydrophobicContact CZ3-CG1 4.25Å; W20-I24 WeakPolarHBondContact O-CB 3.36Å; W20-I24 WeakPolarHBondContact O-CG2 3.42Å; W20-I24 PolarHBondContact O-N 3.1Å; M21-I24 WeakPolarHBondContact O-CG2 3.45Å; I24-T26 VanDerWaalsContact C-N 3.27Å; I24-T26 PolarHBondContact O-N 3.46Å; I24-L27 PolarHBondContact O-N 3.32Å; I24-R104 HydrophobicContact CD1-CB 3.68Å; I24-R104 HydrophobicContact CD1-CG 4.13Å; I24-R104 HydrophobicContact CG1-CB 4.01Å; I24-R104 HydrophobicContact CG1-CG 4.5Å; I24-R104 PolarHBondContact O-NE 3.18Å
25S96.3Very high95.8Very high73 Ų7375.3 Ų75.351%0.5141%0.409SS..Hα-helixtrans-69.8-22.8176.680.90000113.4M21 Q22 Y23 R104M21-S25 PolarHBondContact O-N 3.41Å; Q22-S25 PolarHBondContact O-N 3.46Å; Q22-S25 PolarHBondContact O-OG 2.84Å; Y23-S25 PolarHBondContact O-N 3.29Å; Y23-S25 VanDerWaalsContact O-N 3.12Å; S25-R104 PolarHBondContact O-NH2 3.39Å
26T96.7Very high96.3Very high101 Ų10178.7 Ų78.762%0.6243%0.426SS*.Hα-helixtrans-88.7-14.1177.872.60000113.2Y23 I24Y23-T26 PolarHBondContact O-N 3.16Å; Y23-T26 PolarHBondContact O-OG1 2.92Å; I24-T26 VanDerWaalsContact C-N 3.27Å; I24-T26 PolarHBondContact O-N 3.46Å
27L96.1Very high96.6Very high41 Ų4185.3 Ų85.322%0.21545%0.446CS..SBendtrans-85154.3179-61.4179.8000111.7Y23 I24 D29 S65 R104Y23-L27 HydrophobicContact CD1-CD1 4.24Å; Y23-L27 HydrophobicContact CE1-CD1 3.81Å; Y23-L27 HydrophobicContact CE1-CG 4.43Å; Y23-L27 HydrophobicContact CE2-CD2 4.36Å; I24-L27 PolarHBondContact O-N 3.32Å; L27-D29 PolarHBondContact O-N 3.21Å; L27-S65 WeakPolarHBondContact CD1-OG 3.4Å; L27-R104 PolarHBondContact O-NH2 3.43Å
28P96.4Very high96.9Very high97 Ų9779.9 Ų79.963%0.6342%0.417SS*.  trans-54.2134.1168.6-24.134.3000111.5Q30P28-Q30 PolarHBondContact O-N 3.16Å
29D97.8Very high97.1Very high30 Ų3079.3 Ų79.316%0.1641%0.407CS..  trans-80.599.3177.8-170.6-14.1000109.7L27 S31 K32 R104L27-D29 PolarHBondContact O-N 3.21Å; D29-S31 PolarHBondContact O-N 3.45Å; D29-S31 WeakPolarHBondContact OD1-CB 3.31Å; D29-S31 PolarHBondContact OD1-N 2.92Å; D29-S31 VanDerWaalsContact OD1-N 3.1Å; D29-S31 PolarHBondContact OD1-OG 3.16Å; D29-K32 HydrophobicContact CB-CB 4.43Å; D29-K32 HydrophobicContact CB-CG 3.75Å; D29-K32 WeakPolarHBondContact O-CB 3.45Å; D29-K32 PolarHBondContact O-N 3.38Å; D29-K32 WeakPolarHBondContact OD2-CE 3.39Å; D29-R104 WeakPolarHBondContact OD1-CA 3.4Å; D29-R104 IonicContact OD2-NH1 3.57Å; D29-R104 PolarHBondContact OD2-NH1 3.42Å
30Q97.8Very high97.2Very high58 Ų5877.3 Ų77.327%0.27140%0.403SS..G310 helixtrans-61.3-27.6-178.9-57.8-58.6-42.600111.9P28 K32 N33 R104 C106 I107P28-Q30 PolarHBondContact O-N 3.16Å; Q30-K32 PolarHBondContact O-N 3.26Å; Q30-K32 VanDerWaalsContact O-N 3.14Å; Q30-N33 WeakPolarHBondContact O-CB 3.31Å; Q30-N33 PolarHBondContact O-N 3.25Å; Q30-N33 VanDerWaalsContact O-N 3.11Å; Q30-N33 PolarHBondContact OE1-ND2 3Å; Q30-N33 VanDerWaalsContact OE1-ND2 3.11Å; Q30-R104 WeakPolarHBondContact CB-O 3.17Å; Q30-R104 WeakPolarHBondContact CG-O 3.48Å; Q30-R104 PolarHBondContact N-O 2.9Å; Q30-C106 CarbonylContact C-O 3.59Å; Q30-C106 VanDerWaalsContact C-O 3.28Å; Q30-C106 WeakPolarHBondContact CB-O 3.32Å; Q30-I107 HydrophobicContact CB-CD1 4.07Å; Q30-I107 HydrophobicContact CG-CD1 4Å
31S96.6Very high97.3Very high57 Ų5784.5 Ų84.540%0.39943%0.434SS..G310 helixtrans-69-9.8177.878.90000113.9D29 G103 C106D29-S31 PolarHBondContact O-N 3.45Å; D29-S31 WeakPolarHBondContact OD1-CB 3.31Å; D29-S31 PolarHBondContact OD1-N 2.92Å; D29-S31 VanDerWaalsContact OD1-N 3.1Å; D29-S31 PolarHBondContact OD1-OG 3.16Å; S31-G103 WeakPolarHBondContact CB-O 3.23Å; S31-C106 PolarHBondContact N-O 2.91Å
32K97.6Very high97.4Very high163 Ų16382.1 Ų82.171%0.70943%0.425SS*.G310 helixtrans-93.3-11.4175.3-58.3-58.5179.5-169.90113.5D29 Q30D29-K32 HydrophobicContact CB-CB 4.43Å; D29-K32 HydrophobicContact CB-CG 3.75Å; D29-K32 WeakPolarHBondContact O-CB 3.45Å; D29-K32 PolarHBondContact O-N 3.38Å; D29-K32 WeakPolarHBondContact OD2-CE 3.39Å; Q30-K32 PolarHBondContact O-N 3.26Å; Q30-K32 VanDerWaalsContact O-N 3.14Å
33N97.2Very high97.5Very high88 Ų8875.8 Ų75.847%0.47140%0.395SS..SBendtrans-74.8162.4172.8-62.2-36.2000110.1Q30 P35Q30-N33 WeakPolarHBondContact O-CB 3.31Å; Q30-N33 PolarHBondContact O-N 3.25Å; Q30-N33 VanDerWaalsContact O-N 3.11Å; Q30-N33 PolarHBondContact OE1-ND2 3Å; Q30-N33 VanDerWaalsContact OE1-ND2 3.11Å; N33-P35 VanDerWaalsContact O-CD 3.27Å; N33-P35 WeakPolarHBondContact O-CD 3.31Å
34E97.9Very high97.6Very high167 Ų16777.5 Ų77.578%0.7840%0.404SS*.PPolyproline II helixtrans-59.2120167.6-177.863.3-123.100108.8I36E34-I36 PolarHBondContact O-N 3.4Å
35P97.1Very high97.7Very high79 Ų7982.5 Ų82.551%0.51343%0.428SS..PPolyproline II helixtrans-63133.7-178.9-23.234.5000111.5N33N33-P35 VanDerWaalsContact O-CD 3.27Å; N33-P35 WeakPolarHBondContact O-CD 3.31Å
36I98.2Very high97.8Very high76 Ų7680.6 Ų80.639%0.3941%0.411SS..EExtended strand (participates in β ladder)trans-95.4157.1177.266.2168.7000112E34 V38 W53 I107 G108 Q109E34-I36 PolarHBondContact O-N 3.4Å; I36-V38 HydrophobicContact CD1-CG2 3.9Å; I36-V38 HydrophobicContact CG1-CG2 3.83Å; I36-W53 HydrophobicContact CD1-CH2 3.98Å; I36-W53 HydrophobicContact CD1-CZ3 4.27Å; I36-I107 HydrophobicContact CD1-CG2 3.54Å; I36-I107 HydrophobicContact CG1-CG2 3.54Å; I36-I107 PolarHBondContact N-O 3.31Å; I36-G108 CarbonylContact O-C 3.58Å; I36-G108 WeakPolarHBondContact O-CA 3.06Å; I36-Q109 PolarHBondContact O-N 3.15Å
37Y98.5Very high97.8Very high181 Ų18178.9 Ų78.971%0.7140%0.403SS*.EExtended strand (participates in β ladder)trans-89.7118.2166.8-65.4-61.3000110.3Q109 V111Y37-Q109 CarbonylContact C-O 3.46Å; Y37-Q109 WeakPolarHBondContact CA-O 3.33Å; Y37-Q109 HydrophobicContact CD1-CB 4.18Å; Y37-Q109 HydrophobicContact CE1-CB 4.35Å; Y37-V111 HydrophobicContact CD1-CG1 3.46Å; Y37-V111 VanDerWaalsContact CD1-CG1 3.46Å; Y37-V111 HydrophobicContact CE1-CG1 4.25Å; Y37-V111 HydrophobicContact CG-CG1 4Å
38V98.6Very high97.9Very high0 Ų079.3 Ų79.30%041%0.409CS..EExtended strand (participates in β ladder)trans-103.2120.1-177.3-175.60000109.4I36 V42 L43 W53 V60 Q109 F110 V111I36-V38 HydrophobicContact CD1-CG2 3.9Å; I36-V38 HydrophobicContact CG1-CG2 3.83Å; V38-V42 HydrophobicContact CG1-CB 4.09Å; V38-V42 HydrophobicContact CG1-CG1 4.01Å; V38-L43 HydrophobicContact CG1-CB 3.97Å; V38-W53 HydrophobicContact CG1-CE3 4.29Å; V38-W53 HydrophobicContact CG1-CZ3 4.17Å; V38-W53 HydrophobicContact CG2-CZ3 4Å; V38-V60 HydrophobicContact CB-CB 4.39Å; V38-V60 HydrophobicContact CB-CG2 3.77Å; V38-V60 HydrophobicContact CG1-CG1 4.39Å; V38-V60 HydrophobicContact CG1-CG2 3.99Å; V38-V60 HydrophobicContact CG2-CB 4.06Å; V38-V60 HydrophobicContact CG2-CG1 4.29Å; V38-V60 HydrophobicContact CG2-CG2 3.99Å; V38-Q109 PolarHBondContact N-O 3.41Å; V38-F110 CarbonylContact O-C 3.15Å; V38-F110 VanDerWaalsContact O-CA 3.31Å; V38-F110 WeakPolarHBondContact O-CA 3.49Å; V38-F110 VanDerWaalsContact O-CD2 3.23Å; V38-F110 WeakPolarHBondContact O-CD2 3.42Å; V38-V111 PolarHBondContact O-N 3.44Å
39T98.3Very high98Very high58 Ų5879.4 Ų79.436%0.35640%0.401SS..EExtended strand (participates in β ladder)trans-86.2165.8173.4650000111K41 V42 L43 V111T39-K41 PolarHBondContact O-N 3.02Å; T39-K41 VanDerWaalsContact O-N 3.16Å; T39-K41 PolarHBondContact OG1-N 2.85Å; T39-V42 PolarHBondContact O-N 2.85Å; T39-V42 PolarHBondContact OG1-N 3.32Å; T39-L43 WeakPolarHBondContact O-CB 3.38Å; T39-L43 PolarHBondContact O-N 3.4Å; T39-V111 HydrophobicContact CG2-CG2 3.95Å
40A98.2Very high97.9Very high30 Ų3083 Ų8325%0.24843%0.428CS..Hα-helixtrans-55.1-30.717100000113.5K44 F110 P115A40-K44 WeakPolarHBondContact O-CD 3.45Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 2.88Å; A40-F110 HydrophobicContact CB-CE2 4.3Å; A40-F110 HydrophobicContact CB-CZ 4.03Å; A40-P115 HydrophobicContact CB-CB 4.31Å
41K97.9Very high98Very high152 Ų15282.7 Ų82.766%0.66143%0.429SS*.Hα-helixtrans-68.7-53.4176.9-176.8-173.5172.2-168.40110.6T39 L43 K44 E45T39-K41 PolarHBondContact O-N 3.02Å; T39-K41 VanDerWaalsContact O-N 3.16Å; T39-K41 PolarHBondContact OG1-N 2.85Å; K41-L43 VanDerWaalsContact C-N 3.34Å; K41-L43 PolarHBondContact O-N 2.56Å; K41-K44 PolarHBondContact O-N 2.87Å; K41-E45 PolarHBondContact O-N 2.98Å
42V98.4Very high98.1Very high44 Ų4480 Ų8027%0.26741%0.41SS..Hα-helixtrans-60-46.3179.5175.70000110.1V38 T39 K44 E45 H46 W53V38-V42 HydrophobicContact CG1-CB 4.09Å; V38-V42 HydrophobicContact CG1-CG1 4.01Å; T39-V42 PolarHBondContact O-N 2.85Å; T39-V42 PolarHBondContact OG1-N 3.32Å; V42-K44 PolarHBondContact O-N 3.41Å; V42-E45 WeakPolarHBondContact O-CB 3.22Å; V42-E45 PolarHBondContact O-N 2.92Å; V42-H46 PolarHBondContact O-CD2 3.35Å; V42-H46 VanDerWaalsContact O-CD2 3.23Å; V42-W53 HydrophobicContact CG1-CZ3 3.99Å
43L98.7Very high98.1Very high0 Ų073.2 Ų73.20%038%0.38CS..Hα-helixtrans-54.8-40.9179.8-175.466.5000112.6V38 T39 K41 E45 H46 W53 L55 V60 G82 F110 P115V38-L43 HydrophobicContact CG1-CB 3.97Å; T39-L43 WeakPolarHBondContact O-CB 3.38Å; T39-L43 PolarHBondContact O-N 3.4Å; K41-L43 VanDerWaalsContact C-N 3.34Å; K41-L43 PolarHBondContact O-N 2.56Å; L43-E45 VanDerWaalsContact C-N 3.28Å; L43-E45 PolarHBondContact O-N 3.43Å; L43-H46 PolarHBondContact O-N 3.47Å; L43-W53 HydrophobicContact CD1-CB 3.87Å; L43-L55 HydrophobicContact CD2-CB 3.85Å; L43-L55 HydrophobicContact CD2-CD2 4.48Å; L43-V60 HydrophobicContact CD1-CG1 3.78Å; L43-V60 HydrophobicContact CD1-CG2 4.31Å; L43-G82 WeakPolarHBondContact O-CA 3.42Å; L43-F110 HydrophobicContact CD2-CD2 4.36Å; L43-F110 HydrophobicContact CD2-CE2 4.17Å; L43-P115 HydrophobicContact CD2-CG 3.99Å
44K98.2Very high98.2Very high123 Ų12369.4 Ų69.454%0.53536%0.36SS..Hα-helixtrans-68.7-24.2-179.4-74.7174.3-178.5-176.90113.6A40 K41 V42 H46 S47A40-K44 WeakPolarHBondContact O-CD 3.45Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 2.88Å; K41-K44 PolarHBondContact O-N 2.87Å; V42-K44 PolarHBondContact O-N 3.41Å; K44-H46 PolarHBondContact O-N 3.12Å; K44-S47 WeakPolarHBondContact O-CB 3.39Å; K44-S47 PolarHBondContact O-OG 3.36Å
45E98.4Very high98.2Very high115 Ų11561.5 Ų61.554%0.53732%0.323SS..Hα-helixtrans-66.7-28.9177-65.7168.4-176.400110.7K41 V42 L43 S47K41-E45 PolarHBondContact O-N 2.98Å; V42-E45 WeakPolarHBondContact O-CB 3.22Å; V42-E45 PolarHBondContact O-N 2.92Å; L43-E45 VanDerWaalsContact C-N 3.28Å; L43-E45 PolarHBondContact O-N 3.43Å; E45-S47 PolarHBondContact O-N 2.64Å
46H98.5Very high98.3Very high33 Ų3358.1 Ų58.115%0.15330%0.3CS..SBendtrans-96.661.9179.6-58.3-80.8000112.1V42 L43 K44 D51 W53 G82V42-H46 PolarHBondContact O-CD2 3.35Å; V42-H46 VanDerWaalsContact O-CD2 3.23Å; L43-H46 PolarHBondContact O-N 3.47Å; K44-H46 PolarHBondContact O-N 3.12Å; H46-D51 CarbonylContact C-O 3.28Å; H46-D51 WeakPolarHBondContact CA-O 3.37Å; H46-D51 IonicContact CE1-OD1 3.6Å; H46-D51 IonicContact CE1-OD2 3.37Å; H46-D51 IonicContact CG-OD1 3.75Å; H46-D51 IonicContact CG-OD2 2.77Å; H46-D51 IonicContact ND1-OD1 2.86Å; H46-D51 PolarHBondContact ND1-OD1 3.04Å; H46-D51 IonicContact ND1-OD2 3.78Å; H46-D51 PolarHBondContact ND1-OD2 2.61Å; H46-W53 HydrophobicContact CB-CB 3.66Å; H46-W53 HydrophobicContact CB-CD2 3.68Å; H46-W53 HydrophobicContact CB-CE3 4.21Å; H46-W53 HydrophobicContact CB-CG 3.41Å; H46-W53 VanDerWaalsContact CB-CG 3.41Å; H46-W53 AromaticContact CD2-CD2 3.5Å; H46-W53 VanDerWaalsContact CD2-CD2 3.5Å; H46-W53 AromaticContact CD2-CE2 3.76Å; H46-W53 AromaticContact CD2-CE3 3.32Å; H46-W53 AromaticContact CD2-CH2 3.75Å; H46-W53 AromaticContact CD2-CZ2 3.91Å; H46-W53 AromaticContact CD2-CZ3 3.46Å; H46-W53 VanDerWaalsContact CD2-CZ3 3.46Å; H46-W53 WeakPolarHBondContact CD2-CZ3 3.18Å; H46-W53 AromaticContact CE1-CE2 3.75Å; H46-W53 AromaticContact CE1-CH2 3.81Å; H46-W53 AromaticContact CE1-CZ2 3.52Å; H46-W53 AromaticContact CG-CD1 3.96Å; H46-W53 AromaticContact CG-CD2 3.42Å; H46-W53 VanDerWaalsContact CG-CD2 3.42Å; H46-W53 AromaticContact CG-CE2 3.57Å; H46-W53 AromaticContact CG-CE3 3.77Å; H46-W53 AromaticContact CG-CG 3.72Å; H46-W53 AromaticContact CG-NE1 3.87Å; H46-W53 AromaticContact ND1-CD2 3.92Å; H46-W53 AromaticContact ND1-CE2 3.55Å; H46-W53 AromaticContact ND1-CZ2 3.82Å; H46-W53 AromaticContact ND1-NE1 3.69Å; H46-W53 AromaticContact NE2-CE2 3.89Å; H46-W53 AromaticContact NE2-CE3 3.89Å; H46-W53 AromaticContact NE2-CH2 3.37Å; H46-W53 WeakPolarHBondContact NE2-CH2 3.12Å; H46-W53 AromaticContact NE2-CZ2 3.57Å; H46-W53 AromaticContact NE2-CZ3 3.55Å; H46-W53 PolarHBondContact O-N 3.39Å; H46-G82 PolarHBondContact O-N 3.49Å
47S98Very high98.3Very high65 Ų6559.2 Ų59.246%0.45531%0.307SS..EExtended strand (participates in β ladder)trans-119.516.1-172.8560000115.4K44 E45 D51 A81K44-S47 WeakPolarHBondContact O-CB 3.39Å; K44-S47 PolarHBondContact O-OG 3.36Å; E45-S47 PolarHBondContact O-N 2.64Å; S47-D51 PolarHBondContact N-O 3.43Å; S47-A81 WeakPolarHBondContact O-CB 3.41Å
48S97.9Very high98.3Very high50 Ų5051.2 Ų51.235%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-109.7164.1-176.177.10000112.7S50 D51 L52S48-S50 PolarHBondContact O-N 2.86Å; S48-S50 PolarHBondContact OG-OG 2.77Å; S48-D51 PolarHBondContact N-O 3.17Å; S48-D51 CarbonylContact O-C 3.59Å; S48-D51 PolarHBondContact O-N 3.23Å; S48-D51 PolarHBondContact OG-N 3.26Å; S48-D51 VanDerWaalsContact OG-N 3.16Å; S48-D51 PolarHBondContact OG-O 3.01Å; S48-L52 VanDerWaalsContact O-CB 3.25Å; S48-L52 WeakPolarHBondContact O-CB 3.46Å; S48-L52 PolarHBondContact O-N 3.45Å
49E97.5Very high98.3Very high99 Ų9954.9 Ų54.946%0.46330%0.296SS..THydrogen-bonded Turntrans-62.5-28.8177.7-175.3169.1166.900113.1L67 K74 L78E49-L67 HydrophobicContact CG-CD1 4.04Å; E49-L67 WeakPolarHBondContact O-CD1 3.33Å; E49-K74 IonicContact OE1-NZ 2.78Å; E49-K74 PolarHBondContact OE1-NZ 3.09Å; E49-K74 IonicContact OE2-NZ 3.66Å; E49-K74 PolarHBondContact OE2-NZ 2.85Å; E49-L78 HydrophobicContact CB-CD2 3.84Å; E49-L78 HydrophobicContact CG-CD2 4.32Å
50S97.6Very high98.3Very high104 Ų10452.1 Ų52.173%0.72728%0.279SS*.THydrogen-bonded Turntrans-90.9-7.5178.151.50000114.3S48S48-S50 PolarHBondContact O-N 2.86Å; S48-S50 PolarHBondContact OG-OG 2.77Å
51D98.4Very high98.3Very high52 Ų5250.8 Ų50.828%0.27827%0.267SS..EExtended strand (participates in β ladder)trans-157.589.4-177.9-178.121.7000108.8H46 S47 S48H46-D51 CarbonylContact C-O 3.28Å; H46-D51 WeakPolarHBondContact CA-O 3.37Å; H46-D51 IonicContact CE1-OD1 3.6Å; H46-D51 IonicContact CE1-OD2 3.37Å; H46-D51 IonicContact CG-OD1 3.75Å; H46-D51 IonicContact CG-OD2 2.77Å; H46-D51 IonicContact ND1-OD1 2.86Å; H46-D51 PolarHBondContact ND1-OD1 3.04Å; H46-D51 IonicContact ND1-OD2 3.78Å; H46-D51 PolarHBondContact ND1-OD2 2.61Å; S47-D51 PolarHBondContact N-O 3.43Å; S48-D51 PolarHBondContact N-O 3.17Å; S48-D51 CarbonylContact O-C 3.59Å; S48-D51 PolarHBondContact O-N 3.23Å; S48-D51 PolarHBondContact OG-N 3.26Å; S48-D51 VanDerWaalsContact OG-N 3.16Å; S48-D51 PolarHBondContact OG-O 3.01Å
52L98.5Very high98.4Very high0 Ų045.6 Ų45.60%025%0.247CC..EExtended strand (participates in β ladder)trans-127.4106.8-166.9-154.9175.7000111.5S48 V54 V63 T64 L67 I77 L78 A81S48-L52 VanDerWaalsContact O-CB 3.25Å; S48-L52 WeakPolarHBondContact O-CB 3.46Å; S48-L52 PolarHBondContact O-N 3.45Å; L52-V54 HydrophobicContact CD2-CG1 3.65Å; L52-V63 HydrophobicContact CD2-CG2 3.65Å; L52-V63 PolarHBondContact O-N 3.21Å; L52-T64 PolarHBondContact N-OG1 2.83Å; L52-L67 HydrophobicContact CB-CD1 4.45Å; L52-L67 HydrophobicContact CD1-CD1 3.73Å; L52-L67 HydrophobicContact CD1-CD2 3.51Å; L52-L67 HydrophobicContact CD1-CG 3.94Å; L52-I77 HydrophobicContact CD1-CG2 3.91Å; L52-I77 HydrophobicContact CD2-CG2 4.2Å; L52-L78 HydrophobicContact CD1-CD2 3.66Å; L52-L78 HydrophobicContact CD1-CG 4.35Å; L52-A81 HydrophobicContact CD1-CB 4.08Å; L52-A81 HydrophobicContact CD2-CB 3.79Å; L52-A81 HydrophobicContact CG-CB 3.65Å
53W98.7Very high98.3Very high22 Ų2243.6 Ų43.68%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-104.4145.8170.3-646.1000111.6I36 V38 V42 L43 H46 V60 Y61 G82 I107I36-W53 HydrophobicContact CD1-CH2 3.98Å; I36-W53 HydrophobicContact CD1-CZ3 4.27Å; V38-W53 HydrophobicContact CG1-CE3 4.29Å; V38-W53 HydrophobicContact CG1-CZ3 4.17Å; V38-W53 HydrophobicContact CG2-CZ3 4Å; V42-W53 HydrophobicContact CG1-CZ3 3.99Å; L43-W53 HydrophobicContact CD1-CB 3.87Å; H46-W53 HydrophobicContact CB-CB 3.66Å; H46-W53 HydrophobicContact CB-CD2 3.68Å; H46-W53 HydrophobicContact CB-CE3 4.21Å; H46-W53 HydrophobicContact CB-CG 3.41Å; H46-W53 VanDerWaalsContact CB-CG 3.41Å; H46-W53 AromaticContact CD2-CD2 3.5Å; H46-W53 VanDerWaalsContact CD2-CD2 3.5Å; H46-W53 AromaticContact CD2-CE2 3.76Å; H46-W53 AromaticContact CD2-CE3 3.32Å; H46-W53 AromaticContact CD2-CH2 3.75Å; H46-W53 AromaticContact CD2-CZ2 3.91Å; H46-W53 AromaticContact CD2-CZ3 3.46Å; H46-W53 VanDerWaalsContact CD2-CZ3 3.46Å; H46-W53 WeakPolarHBondContact CD2-CZ3 3.18Å; H46-W53 AromaticContact CE1-CE2 3.75Å; H46-W53 AromaticContact CE1-CH2 3.81Å; H46-W53 AromaticContact CE1-CZ2 3.52Å; H46-W53 AromaticContact CG-CD1 3.96Å; H46-W53 AromaticContact CG-CD2 3.42Å; H46-W53 VanDerWaalsContact CG-CD2 3.42Å; H46-W53 AromaticContact CG-CE2 3.57Å; H46-W53 AromaticContact CG-CE3 3.77Å; H46-W53 AromaticContact CG-CG 3.72Å; H46-W53 AromaticContact CG-NE1 3.87Å; H46-W53 AromaticContact ND1-CD2 3.92Å; H46-W53 AromaticContact ND1-CE2 3.55Å; H46-W53 AromaticContact ND1-CZ2 3.82Å; H46-W53 AromaticContact ND1-NE1 3.69Å; H46-W53 AromaticContact NE2-CE2 3.89Å; H46-W53 AromaticContact NE2-CE3 3.89Å; H46-W53 AromaticContact NE2-CH2 3.37Å; H46-W53 WeakPolarHBondContact NE2-CH2 3.12Å; H46-W53 AromaticContact NE2-CZ2 3.57Å; H46-W53 AromaticContact NE2-CZ3 3.55Å; H46-W53 PolarHBondContact O-N 3.39Å; W53-V60 HydrophobicContact CB-CG1 3.94Å; W53-V60 HydrophobicContact CD2-CG1 4.08Å; W53-V60 HydrophobicContact CE3-CG1 3.64Å; W53-V60 HydrophobicContact CG-CG1 4.25Å; W53-V60 HydrophobicContact CZ3-CG1 4.47Å; W53-Y61 VanDerWaalsContact CA-O 3.27Å; W53-Y61 WeakPolarHBondContact CA-O 3.45Å; W53-G82 WeakPolarHBondContact O-CA 3.31Å; W53-G82 PolarHBondContact O-N 3.25Å; W53-I107 HydrophobicContact CH2-CG2 3.81Å; W53-I107 HydrophobicContact CZ2-CD1 4.37Å; W53-I107 HydrophobicContact CZ2-CG1 4.26Å; W53-I107 HydrophobicContact CZ2-CG2 4.12Å; W53-I107 HydrophobicContact CZ3-CG2 4.12Å
54V98.7Very high98.3Very high8 Ų845.1 Ų45.15%0.04824%0.244CC..EExtended strand (participates in β ladder)trans-128.6144.3171.3-63.50000110.1L52 L56 V60 Y61 V63 I77 V80 A85L52-V54 HydrophobicContact CD2-CG1 3.65Å; V54-L56 HydrophobicContact CG2-CD1 4.4Å; V54-L56 HydrophobicContact CG2-CG 4.38Å; V54-V60 WeakPolarHBondContact O-CA 3.3Å; V54-Y61 PolarHBondContact N-O 2.92Å; V54-Y61 PolarHBondContact O-N 2.85Å; V54-V63 HydrophobicContact CG1-CG2 3.99Å; V54-V63 HydrophobicContact CG2-CB 4.49Å; V54-V63 HydrophobicContact CG2-CG1 3.7Å; V54-V63 HydrophobicContact CG2-CG2 3.93Å; V54-I77 HydrophobicContact CG1-CG2 4.46Å; V54-V80 HydrophobicContact CG1-CG2 4.2Å; V54-A85 HydrophobicContact CB-CB 4.33Å
55L98.8Very high98.3Very high1 Ų141.2 Ų41.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-93.6124.4170.3165.660.6000109.4L43 G58 K59 V60 R83 D84 A85 F110L43-L55 HydrophobicContact CD2-CB 3.85Å; L43-L55 HydrophobicContact CD2-CD2 4.48Å; L55-G58 VanDerWaalsContact CD1-C 3.42Å; L55-K59 WeakPolarHBondContact CA-O 3.48Å; L55-K59 VanDerWaalsContact CD1-O 3.3Å; L55-K59 WeakPolarHBondContact CD1-O 3.49Å; L55-V60 HydrophobicContact CB-CG2 4.5Å; L55-V60 HydrophobicContact CD1-CG2 4.28Å; L55-R83 PolarHBondContact N-O 3.46Å; L55-D84 HydrophobicContact CB-CB 4.44Å; L55-D84 HydrophobicContact CD2-CB 3.88Å; L55-D84 HydrophobicContact CG-CB 4.2Å; L55-A85 PolarHBondContact O-N 2.87Å; L55-F110 HydrophobicContact CD1-CB 3.55Å; L55-F110 HydrophobicContact CD1-CG 4.09Å; L55-F110 HydrophobicContact CD2-CB 4Å; L55-F110 HydrophobicContact CD2-CD1 3.83Å; L55-F110 HydrophobicContact CD2-CD2 3.74Å; L55-F110 HydrophobicContact CD2-CE1 4.25Å; L55-F110 HydrophobicContact CD2-CE2 4.15Å; L55-F110 HydrophobicContact CD2-CG 3.56Å; L55-F110 HydrophobicContact CD2-CZ 4.41Å; L55-F110 HydrophobicContact CG-CB 4.4Å; L55-F110 HydrophobicContact CG-CG 4.44Å
56L98.5Very high98.2Very high7 Ų736.9 Ų36.94%0.03721%0.211CC..EExtended strand (participates in β ladder)trans-129115.7173.6-67.3172.7000109.5V54 G58 K59 Y61 A85 F89 Y98 L102V54-L56 HydrophobicContact CG2-CD1 4.4Å; V54-L56 HydrophobicContact CG2-CG 4.38Å; L56-G58 VanDerWaalsContact C-N 3.3Å; L56-G58 PolarHBondContact O-N 2.76Å; L56-K59 PolarHBondContact N-O 2.97Å; L56-K59 PolarHBondContact O-N 2.95Å; L56-Y61 HydrophobicContact CB-CD2 4.13Å; L56-Y61 HydrophobicContact CB-CE2 3.9Å; L56-Y61 HydrophobicContact CD1-CD2 4.25Å; L56-Y61 HydrophobicContact CD1-CE2 4.42Å; L56-Y61 HydrophobicContact CG-CD2 4.47Å; L56-A85 HydrophobicContact CD2-CB 3.89Å; L56-F89 HydrophobicContact CD2-CB 3.72Å; L56-F89 HydrophobicContact CD2-CD2 4.3Å; L56-F89 HydrophobicContact CD2-CG 3.98Å; L56-Y98 HydrophobicContact CB-CD2 4.33Å; L56-Y98 HydrophobicContact CB-CE2 3.99Å; L56-Y98 HydrophobicContact CD1-CD2 3.88Å; L56-Y98 HydrophobicContact CD1-CE2 4.38Å; L56-Y98 HydrophobicContact CD1-CG 4.11Å; L56-L102 HydrophobicContact CD1-CD1 4.21Å
57N97.7Very high98.1Very high99 Ų9935.9 Ų35.953%0.52921%0.206SC..THydrogen-bonded Turntrans47.547.2177-166.138.3000114K59 T86 Y98N57-K59 VanDerWaalsContact C-N 3.3Å; N57-K59 PolarHBondContact O-N 3.33Å; N57-T86 HydrophobicContact CB-CG2 4.46Å; N57-T86 PolarHBondContact N-OG1 3.15Å; N57-Y98 WeakPolarHBondContact CB-OH 3.33Å
58G98.2Very high97.8Very high14 Ų1438.9 Ų38.914%0.14421%0.208CC..THydrogen-bonded Turntrans85.9-14.2179.100000115L55 L56 Q109 F110L55-G58 VanDerWaalsContact CD1-C 3.42Å; L56-G58 VanDerWaalsContact C-N 3.3Å; L56-G58 PolarHBondContact O-N 2.76Å; G58-Q109 PolarHBondContact O-NE2 3.15Å; G58-Q109 PolarHBondContact O-OE1 2.89Å; G58-F110 WeakPolarHBondContact O-CB 3.45Å; G58-F110 PolarHBondContact O-N 3.17Å
59K98.6Very high97.7Very high76 Ų7637 Ų3733%0.3319%0.193SC..EExtended strand (participates in β ladder)trans-100144175.8-67.3176.5-176.3170.80111L55 L56 N57 Y61 E99 G108L55-K59 WeakPolarHBondContact CA-O 3.48Å; L55-K59 VanDerWaalsContact CD1-O 3.3Å; L55-K59 WeakPolarHBondContact CD1-O 3.49Å; L56-K59 PolarHBondContact N-O 2.97Å; L56-K59 PolarHBondContact O-N 2.95Å; N57-K59 VanDerWaalsContact C-N 3.3Å; N57-K59 PolarHBondContact O-N 3.33Å; K59-Y61 HydrophobicContact CB-CD2 4.39Å; K59-Y61 HydrophobicContact CB-CE2 3.58Å; K59-Y61 WeakPolarHBondContact CD-OH 3.26Å; K59-E99 IonicContact NZ-OE1 2.79Å; K59-E99 PolarHBondContact NZ-OE1 3.13Å; K59-G108 WeakPolarHBondContact CA-O 3.28Å
60V98.8Very high97.6Very high0 Ų033.3 Ų33.30%018%0.176CC..EExtended strand (participates in β ladder)trans-102.8131.8176.5-178.80000109.6V38 L43 W53 V54 L55 I107 G108 F110V38-V60 HydrophobicContact CB-CB 4.39Å; V38-V60 HydrophobicContact CB-CG2 3.77Å; V38-V60 HydrophobicContact CG1-CG1 4.39Å; V38-V60 HydrophobicContact CG1-CG2 3.99Å; V38-V60 HydrophobicContact CG2-CB 4.06Å; V38-V60 HydrophobicContact CG2-CG1 4.29Å; V38-V60 HydrophobicContact CG2-CG2 3.99Å; L43-V60 HydrophobicContact CD1-CG1 3.78Å; L43-V60 HydrophobicContact CD1-CG2 4.31Å; W53-V60 HydrophobicContact CB-CG1 3.94Å; W53-V60 HydrophobicContact CD2-CG1 4.08Å; W53-V60 HydrophobicContact CE3-CG1 3.64Å; W53-V60 HydrophobicContact CG-CG1 4.25Å; W53-V60 HydrophobicContact CZ3-CG1 4.47Å; V54-V60 WeakPolarHBondContact O-CA 3.3Å; L55-V60 HydrophobicContact CB-CG2 4.5Å; L55-V60 HydrophobicContact CD1-CG2 4.28Å; V60-I107 PolarHBondContact O-N 3.5Å; V60-G108 PolarHBondContact N-O 3.18Å; V60-F110 HydrophobicContact CG2-CB 4.02Å; V60-F110 HydrophobicContact CG2-CD2 4.38Å
61Y98.8Very high97.4Very high3 Ų332 Ų321%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-122.1131.7-178.9-61.8-95.3000110.3W53 V54 L56 K59 V63 Y98 L102 C105 C106W53-Y61 VanDerWaalsContact CA-O 3.27Å; W53-Y61 WeakPolarHBondContact CA-O 3.45Å; V54-Y61 PolarHBondContact N-O 2.92Å; V54-Y61 PolarHBondContact O-N 2.85Å; L56-Y61 HydrophobicContact CB-CD2 4.13Å; L56-Y61 HydrophobicContact CB-CE2 3.9Å; L56-Y61 HydrophobicContact CD1-CD2 4.25Å; L56-Y61 HydrophobicContact CD1-CE2 4.42Å; L56-Y61 HydrophobicContact CG-CD2 4.47Å; K59-Y61 HydrophobicContact CB-CD2 4.39Å; K59-Y61 HydrophobicContact CB-CE2 3.58Å; K59-Y61 WeakPolarHBondContact CD-OH 3.26Å; Y61-V63 PolarHBondContact O-N 2.79Å; Y61-Y98 HydrophobicContact CE2-CD2 4.4Å; Y61-Y98 HydrophobicContact CE2-CE2 4.32Å; Y61-L102 HydrophobicContact CD1-CB 3.76Å; Y61-L102 WeakPolarHBondContact CD1-O 3.49Å; Y61-L102 HydrophobicContact CE1-CB 4.11Å; Y61-L102 HydrophobicContact CG-CB 4.45Å; Y61-C105 CarbonylContact C-O 3.56Å; Y61-C105 WeakPolarHBondContact CA-O 3.25Å; Y61-C105 HydrophobicContact CD1-CB 4.37Å; Y61-C106 HydrophobicContact CD1-CB 3.96Å; Y61-C106 HydrophobicContact CE1-CB 3.77Å
62D98.7Very high97.1Very high42 Ų4231.2 Ų31.223%0.22517%0.169CC..EExtended strand (participates in β ladder)trans-80.9100.3165.5-178.6-7.5000109.4T64 C105 I107D62-T64 WeakPolarHBondContact OD1-CB 3.34Å; D62-T64 PolarHBondContact OD1-N 3.28Å; D62-T64 PolarHBondContact OD1-OG1 3.38Å; D62-C105 PolarHBondContact N-O 2.78Å; D62-C105 WeakPolarHBondContact O-CB 3.07Å; D62-C105 PolarHBondContact O-SG 3Å; D62-C105 VanDerWaalsContact O-SG 3.36Å; D62-I107 HydrophobicContact CB-CD1 3.86Å; D62-I107 HydrophobicContact CB-CG1 3.89Å
63V98.3Very high96.7Very high3 Ų332.3 Ų32.32%0.01818%0.181CC..  trans-98.812.4-176.6-59.80000112.7L52 V54 Y61 S65 Y66 L67 I77 L102L52-V63 HydrophobicContact CD2-CG2 3.65Å; L52-V63 PolarHBondContact O-N 3.21Å; V54-V63 HydrophobicContact CG1-CG2 3.99Å; V54-V63 HydrophobicContact CG2-CB 4.49Å; V54-V63 HydrophobicContact CG2-CG1 3.7Å; V54-V63 HydrophobicContact CG2-CG2 3.93Å; Y61-V63 PolarHBondContact O-N 2.79Å; V63-S65 VanDerWaalsContact C-N 3.28Å; V63-S65 PolarHBondContact O-N 2.93Å; V63-Y66 WeakPolarHBondContact O-CA 3.49Å; V63-Y66 WeakPolarHBondContact O-CB 3.19Å; V63-Y66 PolarHBondContact O-N 2.72Å; V63-L67 PolarHBondContact O-N 3.29Å; V63-L67 VanDerWaalsContact O-N 3.16Å; V63-I77 HydrophobicContact CG2-CG2 3.87Å; V63-L102 HydrophobicContact CG1-CD1 3.85Å; V63-L102 HydrophobicContact CG1-CD2 4.19Å
64T98.3Very high96.5Very high32 Ų3235.4 Ų35.420%0.19620%0.195CC..G310 helixtrans-51.1-49-180-53.10000111.3L52 D62 Y66 L67L52-T64 PolarHBondContact N-OG1 2.83Å; D62-T64 WeakPolarHBondContact OD1-CB 3.34Å; D62-T64 PolarHBondContact OD1-N 3.28Å; D62-T64 PolarHBondContact OD1-OG1 3.38Å; T64-Y66 VanDerWaalsContact C-N 3.27Å; T64-Y66 PolarHBondContact O-N 3.34Å; T64-L67 WeakPolarHBondContact O-CB 3.43Å; T64-L67 PolarHBondContact O-N 3.35Å
65S96.8Very high96.3Very high40 Ų4040.6 Ų40.628%0.2822%0.222SC..G310 helixtrans-69.5-21.2179.8-76.10000114.1L27 V63 F69L27-S65 WeakPolarHBondContact CD1-OG 3.4Å; V63-S65 VanDerWaalsContact C-N 3.28Å; V63-S65 PolarHBondContact O-N 2.93Å; S65-F69 WeakPolarHBondContact O-CD2 3.47Å
66Y97.6Very high96Very high25 Ų2543.5 Ų43.510%0.09824%0.242CC..G310 helixtrans-87.8-19.6-178.7-179.7-110.2000113.1W20 V63 T64 R68 F69 H70 I77 L101 L102W20-Y66 AromaticContact CD2-CD2 3.69Å; W20-Y66 HydrophobicContact CD2-CD2 3.69Å; W20-Y66 HydrophobicContact CD2-CE2 4.25Å; W20-Y66 AromaticContact CE2-CD2 3.6Å; W20-Y66 HydrophobicContact CE3-CD2 4.01Å; W20-Y66 HydrophobicContact CG-CD2 4.18Å; W20-Y66 HydrophobicContact CG-CE2 4.26Å; W20-Y66 HydrophobicContact CH2-CD2 4.13Å; W20-Y66 HydrophobicContact CH2-CG 4.43Å; W20-Y66 AromaticContact CZ2-CD2 3.8Å; W20-Y66 HydrophobicContact CZ2-CD2 3.8Å; W20-Y66 HydrophobicContact CZ2-CG 4.31Å; W20-Y66 HydrophobicContact CZ3-CD2 4.23Å; V63-Y66 WeakPolarHBondContact O-CA 3.49Å; V63-Y66 WeakPolarHBondContact O-CB 3.19Å; V63-Y66 PolarHBondContact O-N 2.72Å; T64-Y66 VanDerWaalsContact C-N 3.27Å; T64-Y66 PolarHBondContact O-N 3.34Å; Y66-R68 VanDerWaalsContact C-N 3.3Å; Y66-R68 PolarHBondContact O-N 3.29Å; Y66-R68 VanDerWaalsContact O-N 3.1Å; Y66-F69 HydrophobicContact CD2-CB 3.88Å; Y66-F69 HydrophobicContact CE2-CB 3.88Å; Y66-F69 WeakPolarHBondContact O-CA 3.18Å; Y66-F69 WeakPolarHBondContact O-CB 3.37Å; Y66-F69 PolarHBondContact O-N 3.13Å; Y66-H70 HydrophobicContact CE1-CB 4.06Å; Y66-H70 PolarHBondContact O-N 3.4Å; Y66-I77 HydrophobicContact CD1-CD1 3.88Å; Y66-I77 HydrophobicContact CE1-CD1 3.97Å; Y66-L101 HydrophobicContact CE1-CD2 4.33Å; Y66-L101 HydrophobicContact CE2-CD1 4.27Å; Y66-L101 HydrophobicContact CE2-CD2 3.94Å; Y66-L101 HydrophobicContact CE2-CG 4.15Å; Y66-L101 WeakPolarHBondContact OH-CD2 3.47Å; Y66-L102 HydrophobicContact CD1-CD2 3.87Å; Y66-L102 HydrophobicContact CD2-CD2 4.17Å; Y66-L102 HydrophobicContact CE1-CD2 4.42Å; Y66-L102 HydrophobicContact CG-CD2 3.74Å
67L95.2Very high95.9Very high11 Ų1144.1 Ų44.16%0.05825%0.246CC..G310 helixtrans-44.6-49-175.7-82.6175.2000114.5E49 L52 V63 T64 F69 H70 I77 L78E49-L67 HydrophobicContact CG-CD1 4.04Å; E49-L67 WeakPolarHBondContact O-CD1 3.33Å; L52-L67 HydrophobicContact CB-CD1 4.45Å; L52-L67 HydrophobicContact CD1-CD1 3.73Å; L52-L67 HydrophobicContact CD1-CD2 3.51Å; L52-L67 HydrophobicContact CD1-CG 3.94Å; V63-L67 PolarHBondContact O-N 3.29Å; V63-L67 VanDerWaalsContact O-N 3.16Å; T64-L67 WeakPolarHBondContact O-CB 3.43Å; T64-L67 PolarHBondContact O-N 3.35Å; L67-F69 VanDerWaalsContact C-N 3.27Å; L67-F69 PolarHBondContact O-N 3.48Å; L67-H70 PolarHBondContact O-N 3.33Å; L67-I77 HydrophobicContact CD2-CB 3.67Å; L67-I77 HydrophobicContact CD2-CD1 4.37Å; L67-I77 HydrophobicContact CD2-CG2 3.67Å; L67-L78 HydrophobicContact CD1-CD2 4.43Å; L67-L78 HydrophobicContact CD2-CG 4.38Å
68R92.4Very high95.9Very high129 Ų12941.3 Ų41.349%0.48723%0.23SC..G310 helixtrans-73-16.9-178.569.3179.9-63.4-133.2-6.5114.3C15 Y66C15-R68 WeakPolarHBondContact CB-O 3.44Å; C15-R68 PolarHBondContact SG-O 2.96Å; Y66-R68 VanDerWaalsContact C-N 3.3Å; Y66-R68 PolarHBondContact O-N 3.29Å; Y66-R68 VanDerWaalsContact O-N 3.1Å
69F95.5Very high95.8Very high9 Ų943.7 Ų43.74%0.03925%0.245CC..G310 helixtrans-94.4-8.2179.2-62.1-87.7000112.5D14 C15 H19 W20 Y23 S65 Y66 L67 P71D14-F69 VanDerWaalsContact O-CE1 3.28Å; D14-F69 WeakPolarHBondContact O-CE1 3.49Å; C15-F69 HydrophobicContact CB-CD1 4.36Å; H19-F69 HydrophobicContact CB-CE1 4.04Å; W20-F69 HydrophobicContact CB-CB 4.18Å; W20-F69 HydrophobicContact CB-CD1 3.75Å; W20-F69 HydrophobicContact CB-CE1 4.34Å; W20-F69 HydrophobicContact CB-CG 4Å; W20-F69 HydrophobicContact CD2-CG 4.5Å; W20-F69 HydrophobicContact CE3-CB 4.45Å; W20-F69 AromaticContact CE3-CD2 3.64Å; W20-F69 HydrophobicContact CE3-CD2 3.64Å; W20-F69 AromaticContact CE3-CE2 3.96Å; W20-F69 HydrophobicContact CE3-CE2 3.96Å; W20-F69 AromaticContact CE3-CG 3.98Å; W20-F69 HydrophobicContact CE3-CG 3.98Å; W20-F69 HydrophobicContact CZ3-CD2 4.19Å; W20-F69 HydrophobicContact CZ3-CE2 4.42Å; Y23-F69 HydrophobicContact CD1-CD2 4.47Å; Y23-F69 AromaticContact CD1-CE2 3.43Å; Y23-F69 HydrophobicContact CD1-CE2 3.43Å; Y23-F69 VanDerWaalsContact CD1-CE2 3.43Å; Y23-F69 AromaticContact CD1-CZ 3.69Å; Y23-F69 HydrophobicContact CD1-CZ 3.69Å; Y23-F69 AromaticContact CE1-CE2 3.92Å; Y23-F69 HydrophobicContact CE1-CE2 3.92Å; Y23-F69 HydrophobicContact CE1-CZ 4.46Å; Y23-F69 HydrophobicContact CG-CE2 4.15Å; Y23-F69 AromaticContact CG-CZ 3.92Å; Y23-F69 HydrophobicContact CG-CZ 3.92Å; S65-F69 WeakPolarHBondContact O-CD2 3.47Å; Y66-F69 HydrophobicContact CD2-CB 3.88Å; Y66-F69 HydrophobicContact CE2-CB 3.88Å; Y66-F69 WeakPolarHBondContact O-CA 3.18Å; Y66-F69 WeakPolarHBondContact O-CB 3.37Å; Y66-F69 PolarHBondContact O-N 3.13Å; L67-F69 VanDerWaalsContact C-N 3.27Å; L67-F69 PolarHBondContact O-N 3.48Å; F69-P71 VanDerWaalsContact O-CD 3.27Å; F69-P71 WeakPolarHBondContact O-CD 3.3Å
70H95.4Very high95.7Very high23 Ų2340.9 Ų40.911%0.10623%0.234CC..  trans-67.2119.2179.6-177.6-125.5000111.6Y66 L67 G72 G73 I77Y66-H70 HydrophobicContact CE1-CB 4.06Å; Y66-H70 PolarHBondContact O-N 3.4Å; L67-H70 PolarHBondContact O-N 3.33Å; H70-G72 PolarHBondContact O-N 2.88Å; H70-G72 VanDerWaalsContact O-N 3.13Å; H70-G73 PolarHBondContact ND1-O 3.32Å; H70-G73 PolarHBondContact O-N 3.47Å; H70-I77 HydrophobicContact CB-CD1 3.49Å; H70-I77 VanDerWaalsContact CB-CD1 3.49Å; H70-I77 HydrophobicContact CB-CG1 4.23Å; H70-I77 VanDerWaalsContact CG-CD1 3.45Å
71P93.4Very high95.7Very high76 Ų7641.1 Ų41.149%0.49424%0.236SC..THydrogen-bonded Turntrans-61.7-26.3-176.6-26.436.3000114.6L11 F69 G73L11-P71 HydrophobicContact CD2-CB 4.25Å; F69-P71 VanDerWaalsContact O-CD 3.27Å; F69-P71 WeakPolarHBondContact O-CD 3.3Å; P71-G73 PolarHBondContact O-N 2.96Å
72G91.3Very high95.7Very high35 Ų3541 Ų4136%0.36124%0.236SC..THydrogen-bonded Turntrans-76.6-4.3175.200000114.5H70 S76H70-G72 PolarHBondContact O-N 2.88Å; H70-G72 VanDerWaalsContact O-N 3.13Å; G72-S76 PolarHBondContact O-OG 3.32Å
73G91.8Very high95.7Very high24 Ų2444.9 Ų44.925%0.24725%0.248CC..  trans86.3161.2-172.400000112.8H70 P71 D75H70-G73 PolarHBondContact ND1-O 3.32Å; H70-G73 PolarHBondContact O-N 3.47Å; P71-G73 PolarHBondContact O-N 2.96Å; G73-D75 VanDerWaalsContact C-N 3.34Å; G73-D75 PolarHBondContact O-N 3.25Å
74K94Very high95.7Very high87 Ų8746.3 Ų46.338%0.37826%0.255SS..Hα-helixtrans-63-37.7-174.467.1173.3-171.2160.90113.4E49 S76 I77 L78E49-K74 IonicContact OE1-NZ 2.78Å; E49-K74 PolarHBondContact OE1-NZ 3.09Å; E49-K74 IonicContact OE2-NZ 3.66Å; E49-K74 PolarHBondContact OE2-NZ 2.85Å; K74-S76 PolarHBondContact O-N 2.79Å; K74-I77 PolarHBondContact O-N 2.92Å; K74-L78 HydrophobicContact CB-CD1 4.3Å; K74-L78 HydrophobicContact CD-CD1 4.19Å; K74-L78 HydrophobicContact CG-CD1 4.11Å; K74-L78 WeakPolarHBondContact O-CG 3.47Å; K74-L78 PolarHBondContact O-N 2.93Å
75D94Very high95.7Very high117 Ų11745.1 Ų45.163%0.62625%0.249SC*.Hα-helixtrans-61-32.3-173.7-62.8-19.1000112.1G73 I77 L78 S79G73-D75 VanDerWaalsContact C-N 3.34Å; G73-D75 PolarHBondContact O-N 3.25Å; D75-I77 PolarHBondContact O-N 3.44Å; D75-L78 PolarHBondContact O-N 3.21Å; D75-S79 WeakPolarHBondContact O-CB 3.29Å; D75-S79 PolarHBondContact O-N 3.32Å
76S93.7Very high95.8Very high61 Ų6143.9 Ų43.943%0.42724%0.239SC..Hα-helixtrans-64.1-39.9176.5-59.40000112.5G72 K74 S79G72-S76 PolarHBondContact O-OG 3.32Å; K74-S76 PolarHBondContact O-N 2.79Å; S76-S79 PolarHBondContact O-OG 3.43Å
77I95.9Very high95.8Very high20 Ų2047.4 Ų47.410%0.10327%0.267CS..Hα-helixtrans-77.9-40.5176.8-61.5-177.6000110.6L52 V54 V63 Y66 L67 H70 K74 D75 S79 V80 A81L52-I77 HydrophobicContact CD1-CG2 3.91Å; L52-I77 HydrophobicContact CD2-CG2 4.2Å; V54-I77 HydrophobicContact CG1-CG2 4.46Å; V63-I77 HydrophobicContact CG2-CG2 3.87Å; Y66-I77 HydrophobicContact CD1-CD1 3.88Å; Y66-I77 HydrophobicContact CE1-CD1 3.97Å; L67-I77 HydrophobicContact CD2-CB 3.67Å; L67-I77 HydrophobicContact CD2-CD1 4.37Å; L67-I77 HydrophobicContact CD2-CG2 3.67Å; H70-I77 HydrophobicContact CB-CD1 3.49Å; H70-I77 VanDerWaalsContact CB-CD1 3.49Å; H70-I77 HydrophobicContact CB-CG1 4.23Å; H70-I77 VanDerWaalsContact CG-CD1 3.45Å; K74-I77 PolarHBondContact O-N 2.92Å; D75-I77 PolarHBondContact O-N 3.44Å; I77-S79 PolarHBondContact O-N 3.18Å; I77-S79 VanDerWaalsContact O-N 3.15Å; I77-V80 CarbonylContact O-C 3.59Å; I77-V80 WeakPolarHBondContact O-CG2 3.27Å; I77-V80 PolarHBondContact O-N 3.16Å; I77-A81 PolarHBondContact O-N 3.44Å
78L97.3Very high95.8Very high40 Ų4050.6 Ų50.621%0.20928%0.284CS..Hα-helixtrans-56.9-32176.2-71.1168.1000111.9E49 L52 L67 K74 D75 V80 A81E49-L78 HydrophobicContact CB-CD2 3.84Å; E49-L78 HydrophobicContact CG-CD2 4.32Å; L52-L78 HydrophobicContact CD1-CD2 3.66Å; L52-L78 HydrophobicContact CD1-CG 4.35Å; L67-L78 HydrophobicContact CD1-CD2 4.43Å; L67-L78 HydrophobicContact CD2-CG 4.38Å; K74-L78 HydrophobicContact CB-CD1 4.3Å; K74-L78 HydrophobicContact CD-CD1 4.19Å; K74-L78 HydrophobicContact CG-CD1 4.11Å; K74-L78 WeakPolarHBondContact O-CG 3.47Å; K74-L78 PolarHBondContact O-N 2.93Å; D75-L78 PolarHBondContact O-N 3.21Å; L78-V80 PolarHBondContact O-N 3.35Å; L78-V80 VanDerWaalsContact O-N 3.11Å; L78-A81 WeakPolarHBondContact O-CB 3.16Å; L78-A81 PolarHBondContact O-N 2.88Å
79S96.3Very high96.1Very high64 Ų6446 Ų4645%0.44827%0.268SS..THydrogen-bonded Turntrans-62.6-15.3175.782.40000115D75 S76 I77 R83D75-S79 WeakPolarHBondContact O-CB 3.29Å; D75-S79 PolarHBondContact O-N 3.32Å; S76-S79 PolarHBondContact O-OG 3.43Å; I77-S79 PolarHBondContact O-N 3.18Å; I77-S79 VanDerWaalsContact O-N 3.15Å; S79-R83 PolarHBondContact O-NH1 3.1Å; S79-R83 PolarHBondContact O-NH2 3.24Å
80V97.1Very high96.2Very high17 Ų1749.7 Ų49.710%0.10329%0.288CS..THydrogen-bonded Turntrans-123.415.8177.8-62.20000112.8V54 I77 L78 G82 R83 A85 L88V54-V80 HydrophobicContact CG1-CG2 4.2Å; I77-V80 CarbonylContact O-C 3.59Å; I77-V80 WeakPolarHBondContact O-CG2 3.27Å; I77-V80 PolarHBondContact O-N 3.16Å; L78-V80 PolarHBondContact O-N 3.35Å; L78-V80 VanDerWaalsContact O-N 3.11Å; V80-G82 PolarHBondContact O-N 3.38Å; V80-R83 WeakPolarHBondContact O-CB 3.47Å; V80-R83 PolarHBondContact O-N 3.11Å; V80-A85 HydrophobicContact CB-CB 4.03Å; V80-A85 HydrophobicContact CG1-CB 4.49Å; V80-A85 HydrophobicContact CG2-CB 3.83Å; V80-L88 HydrophobicContact CG1-CD1 3.45Å; V80-L88 VanDerWaalsContact CG1-CD1 3.45Å
81A98.2Very high96.3Very high6 Ų654.6 Ų54.65%0.0531%0.311CS..THydrogen-bonded Turntrans-57.2133176.400000111.4S47 L52 I77 L78 R83S47-A81 WeakPolarHBondContact O-CB 3.41Å; L52-A81 HydrophobicContact CD1-CB 4.08Å; L52-A81 HydrophobicContact CD2-CB 3.79Å; L52-A81 HydrophobicContact CG-CB 3.65Å; I77-A81 PolarHBondContact O-N 3.44Å; L78-A81 WeakPolarHBondContact O-CB 3.16Å; L78-A81 PolarHBondContact O-N 2.88Å; A81-R83 VanDerWaalsContact C-N 3.29Å; A81-R83 PolarHBondContact O-N 3.25Å; A81-R83 PolarHBondContact O-NE 2.84Å
82G98.3Very high96.5Very high1 Ų154.5 Ų54.51%0.0130%0.303CS..THydrogen-bonded Turntrans63.926.3-178.600000115L43 H46 W53 V80L43-G82 WeakPolarHBondContact O-CA 3.42Å; H46-G82 PolarHBondContact O-N 3.49Å; W53-G82 WeakPolarHBondContact O-CA 3.31Å; W53-G82 PolarHBondContact O-N 3.25Å; V80-G82 PolarHBondContact O-N 3.38Å
83R98.3Very high96.7Very high122 Ų12255.5 Ų55.546%0.4630%0.298SS..EExtended strand (participates in β ladder)trans-135167.3-174.3-70.8176.9-97.1176.7-5.9113.3L55 S79 V80 A81 A85L55-R83 PolarHBondContact N-O 3.46Å; S79-R83 PolarHBondContact O-NH1 3.1Å; S79-R83 PolarHBondContact O-NH2 3.24Å; V80-R83 WeakPolarHBondContact O-CB 3.47Å; V80-R83 PolarHBondContact O-N 3.11Å; A81-R83 VanDerWaalsContact C-N 3.29Å; A81-R83 PolarHBondContact O-N 3.25Å; A81-R83 PolarHBondContact O-NE 2.84Å; R83-A85 PolarHBondContact O-N 2.91Å
84D98.6Very high96.9Very high34 Ų3458 Ų5818%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-71.8108.3166.3-165.6-20.2000109.6L55 T86 R114 P115L55-D84 HydrophobicContact CB-CB 4.44Å; L55-D84 HydrophobicContact CD2-CB 3.88Å; L55-D84 HydrophobicContact CG-CB 4.2Å; D84-T86 WeakPolarHBondContact OD1-CB 3.42Å; D84-T86 PolarHBondContact OD1-N 3.4Å; D84-T86 PolarHBondContact OD1-OG1 3.3Å; D84-R114 WeakPolarHBondContact OD2-CD 3.47Å; D84-R114 IonicContact OD2-NH1 2.81Å; D84-P115 HydrophobicContact CB-CG 4.27Å
85A98.3Very high97.1Very high7 Ų763.7 Ų63.76%0.05834%0.335CS..  trans-93.40.7178.600000112.4V54 L55 L56 V80 R83 S87 L88 F89V54-A85 HydrophobicContact CB-CB 4.33Å; L55-A85 PolarHBondContact O-N 2.87Å; L56-A85 HydrophobicContact CD2-CB 3.89Å; V80-A85 HydrophobicContact CB-CB 4.03Å; V80-A85 HydrophobicContact CG1-CB 4.49Å; V80-A85 HydrophobicContact CG2-CB 3.83Å; R83-A85 PolarHBondContact O-N 2.91Å; A85-S87 PolarHBondContact O-N 2.92Å; A85-L88 PolarHBondContact O-N 3.16Å; A85-F89 VanDerWaalsContact O-CB 3.25Å; A85-F89 WeakPolarHBondContact O-CB 3.25Å; A85-F89 PolarHBondContact O-N 3.43Å
86T98.5Very high97.2Very high13 Ų1360.2 Ų60.28%0.0832%0.318CS..Hα-helixtrans-56.4-49.6-170-54.80000112.6N57 D84 F89 N90N57-T86 HydrophobicContact CB-CG2 4.46Å; N57-T86 PolarHBondContact N-OG1 3.15Å; D84-T86 WeakPolarHBondContact OD1-CB 3.42Å; D84-T86 PolarHBondContact OD1-N 3.4Å; D84-T86 PolarHBondContact OD1-OG1 3.3Å; T86-F89 PolarHBondContact O-N 2.84Å; T86-N90 WeakPolarHBondContact O-CB 3.27Å; T86-N90 VanDerWaalsContact O-CG 3.25Å; T86-N90 PolarHBondContact O-N 3.34Å; T86-N90 PolarHBondContact O-ND2 3.33Å
87S97.8Very high97.4Very high99 Ų9962.1 Ų62.169%0.69232%0.324SS*.Hα-helixtrans-65.3-45.6-177.1-60.30000112A85 N90 E91A85-S87 PolarHBondContact O-N 2.92Å; S87-N90 PolarHBondContact O-N 2.94Å; S87-E91 PolarHBondContact O-N 3.19Å
88L96.8Very high97.5Very high79 Ų7962.8 Ų62.841%0.41433%0.325SS..Hα-helixtrans-66.4-40.1177.2-75.4169.8000111.5V80 A85 N90 E91 F92V80-L88 HydrophobicContact CG1-CD1 3.45Å; V80-L88 VanDerWaalsContact CG1-CD1 3.45Å; A85-L88 PolarHBondContact O-N 3.16Å; L88-N90 VanDerWaalsContact C-N 3.34Å; L88-N90 PolarHBondContact O-N 2.78Å; L88-E91 PolarHBondContact O-N 3.11Å; L88-F92 HydrophobicContact CD2-CE2 4.09Å; L88-F92 VanDerWaalsContact O-CD2 3.25Å; L88-F92 WeakPolarHBondContact O-CD2 3.35Å; L88-F92 PolarHBondContact O-N 3.05Å; L88-F92 VanDerWaalsContact O-N 3.13Å
89F97.9Very high97.5Very high33 Ų3365.3 Ų65.315%0.14534%0.336CS..Hα-helixtrans-59.3-47.6174.5-178.7-85.5000110.7L56 A85 T86 E91 F92 H93 V96 Y98L56-F89 HydrophobicContact CD2-CB 3.72Å; L56-F89 HydrophobicContact CD2-CD2 4.3Å; L56-F89 HydrophobicContact CD2-CG 3.98Å; A85-F89 VanDerWaalsContact O-CB 3.25Å; A85-F89 WeakPolarHBondContact O-CB 3.25Å; A85-F89 PolarHBondContact O-N 3.43Å; T86-F89 PolarHBondContact O-N 2.84Å; F89-E91 VanDerWaalsContact C-N 3.31Å; F89-E91 PolarHBondContact O-N 2.7Å; F89-F92 PolarHBondContact O-N 3.3Å; F89-H93 HydrophobicContact CD1-CB 4.33Å; F89-H93 HydrophobicContact CD2-CB 3.99Å; F89-H93 HydrophobicContact CE1-CB 3.99Å; F89-H93 WeakPolarHBondContact CE1-O 3.33Å; F89-H93 HydrophobicContact CE2-CB 3.65Å; F89-H93 HydrophobicContact CG-CB 4.32Å; F89-H93 HydrophobicContact CZ-CB 3.65Å; F89-H93 CarbonylContact O-C 3.03Å; F89-H93 VanDerWaalsContact O-CA 3.27Å; F89-H93 WeakPolarHBondContact O-CA 3.47Å; F89-H93 WeakPolarHBondContact O-CB 3.23Å; F89-H93 PolarHBondContact O-N 3.28Å; F89-V96 HydrophobicContact CZ-CB 3.91Å; F89-V96 HydrophobicContact CZ-CG1 4.19Å; F89-Y98 HydrophobicContact CD1-CD1 4.02Å; F89-Y98 HydrophobicContact CD1-CE1 4.28Å; F89-Y98 AromaticContact CE1-CD1 3.31Å; F89-Y98 HydrophobicContact CE1-CD1 3.31Å; F89-Y98 AromaticContact CE1-CE1 3.87Å; F89-Y98 HydrophobicContact CE1-CE1 3.87Å; F89-Y98 HydrophobicContact CE1-CG 4.27Å; F89-Y98 HydrophobicContact CE2-CD1 4.25Å; F89-Y98 HydrophobicContact CE2-CG 4.47Å; F89-Y98 AromaticContact CZ-CD1 3.43Å; F89-Y98 HydrophobicContact CZ-CD1 3.43Å; F89-Y98 VanDerWaalsContact CZ-CD1 3.43Å; F89-Y98 HydrophobicContact CZ-CE1 4.42Å; F89-Y98 HydrophobicContact CZ-CG 4Å
90N98Very high97.6Very high85 Ų8565.5 Ų65.546%0.45534%0.341SS..Hα-helixtrans-66.3-32.6179.2-70.6-22.5000112.6T86 S87 L88 A94T86-N90 WeakPolarHBondContact O-CB 3.27Å; T86-N90 VanDerWaalsContact O-CG 3.25Å; T86-N90 PolarHBondContact O-N 3.34Å; T86-N90 PolarHBondContact O-ND2 3.33Å; S87-N90 PolarHBondContact O-N 2.94Å; L88-N90 VanDerWaalsContact C-N 3.34Å; L88-N90 PolarHBondContact O-N 2.78Å; N90-A94 WeakPolarHBondContact O-CB 3.39Å
91E97.1Very high97.6Very high127 Ų12765.8 Ų65.859%0.59334%0.342SS*.Hα-helixtrans-63.1-43.3174.9-174.8-178.5156.600112S87 L88 F89S87-E91 PolarHBondContact O-N 3.19Å; L88-E91 PolarHBondContact O-N 3.11Å; F89-E91 VanDerWaalsContact C-N 3.31Å; F89-E91 PolarHBondContact O-N 2.7Å
92F96.4Very high97.6Very high74 Ų7466 Ų6633%0.32534%0.342SS..Hα-helixtrans-103.7-16.7-171.3-67.7-71.4000115.2L88 F89 W95L88-F92 HydrophobicContact CD2-CE2 4.09Å; L88-F92 VanDerWaalsContact O-CD2 3.25Å; L88-F92 WeakPolarHBondContact O-CD2 3.35Å; L88-F92 PolarHBondContact O-N 3.05Å; L88-F92 VanDerWaalsContact O-N 3.13Å; F89-F92 PolarHBondContact O-N 3.3Å; F92-W95 WeakPolarHBondContact O-CH2 3.37Å; F92-W95 WeakPolarHBondContact O-CZ2 3.49Å; F92-W95 VanDerWaalsContact O-CZ3 3.25Å; F92-W95 WeakPolarHBondContact O-CZ3 3.25Å
93H96.8Very high97.6Very high56 Ų5667.2 Ų67.226%0.25936%0.355SS..Hα-helixtrans-146.325.4-166-56.198.3000113.1F89 W95 V96F89-H93 HydrophobicContact CD1-CB 4.33Å; F89-H93 HydrophobicContact CD2-CB 3.99Å; F89-H93 HydrophobicContact CE1-CB 3.99Å; F89-H93 WeakPolarHBondContact CE1-O 3.33Å; F89-H93 HydrophobicContact CE2-CB 3.65Å; F89-H93 HydrophobicContact CG-CB 4.32Å; F89-H93 HydrophobicContact CZ-CB 3.65Å; F89-H93 CarbonylContact O-C 3.03Å; F89-H93 VanDerWaalsContact O-CA 3.27Å; F89-H93 WeakPolarHBondContact O-CA 3.47Å; F89-H93 WeakPolarHBondContact O-CB 3.23Å; F89-H93 PolarHBondContact O-N 3.28Å; H93-W95 PolarHBondContact O-N 2.79Å; H93-V96 HydrophobicContact CB-CB 4.1Å; H93-V96 HydrophobicContact CB-CG2 3.92Å; H93-V96 WeakPolarHBondContact O-CB 3.44Å; H93-V96 PolarHBondContact O-N 3.28Å
94A96.3Very high97.6Very high75 Ų7565 Ų6562%0.6235%0.346SS*.THydrogen-bonded Turntrans-52.6-23.9178.900000114.5N90N90-A94 WeakPolarHBondContact O-CB 3.39Å
95W96.7Very high97.6Very high207 Ų20763.8 Ų63.878%0.78434%0.34SS*.THydrogen-bonded Turntrans-86.3-6.6177.565.487.7000114.3F92 H93F92-W95 WeakPolarHBondContact O-CH2 3.37Å; F92-W95 WeakPolarHBondContact O-CZ2 3.49Å; F92-W95 VanDerWaalsContact O-CZ3 3.25Å; F92-W95 WeakPolarHBondContact O-CZ3 3.25Å; H93-W95 PolarHBondContact O-N 2.79Å
96V97.3Very high97.6Very high44 Ų4464.7 Ų64.727%0.26735%0.346SS..  trans-92.5123.2-176.11780000109.7F89 H93 Y98F89-V96 HydrophobicContact CZ-CB 3.91Å; F89-V96 HydrophobicContact CZ-CG1 4.19Å; H93-V96 HydrophobicContact CB-CB 4.1Å; H93-V96 HydrophobicContact CB-CG2 3.92Å; H93-V96 WeakPolarHBondContact O-CB 3.44Å; H93-V96 PolarHBondContact O-N 3.28Å; V96-Y98 PolarHBondContact O-N 2.93Å
97N97.4Very high97.6Very high102 Ų10265.1 Ų65.155%0.54535%0.348SS..  trans-7786.8169.4-175-11.4000110.1E99 A100 L101N97-E99 VanDerWaalsContact C-N 3.25Å; N97-E99 PolarHBondContact O-N 3.38Å; N97-E99 PolarHBondContact OD1-N 3.14Å; N97-E99 VanDerWaalsContact OD1-N 3.15Å; N97-A100 HydrophobicContact CB-CB 4.25Å; N97-A100 PolarHBondContact O-N 3.38Å; N97-A100 PolarHBondContact OD1-N 3.41Å; N97-L101 PolarHBondContact O-N 2.87Å
98Y97.9Very high97.6Very high34 Ų3460.7 Ų60.713%0.13332%0.318CS..Hα-helixtrans-67-24.7177.362.1-92.3000112.9L56 N57 Y61 F89 V96 L101 L102L56-Y98 HydrophobicContact CB-CD2 4.33Å; L56-Y98 HydrophobicContact CB-CE2 3.99Å; L56-Y98 HydrophobicContact CD1-CD2 3.88Å; L56-Y98 HydrophobicContact CD1-CE2 4.38Å; L56-Y98 HydrophobicContact CD1-CG 4.11Å; N57-Y98 WeakPolarHBondContact CB-OH 3.33Å; Y61-Y98 HydrophobicContact CE2-CD2 4.4Å; Y61-Y98 HydrophobicContact CE2-CE2 4.32Å; F89-Y98 HydrophobicContact CD1-CD1 4.02Å; F89-Y98 HydrophobicContact CD1-CE1 4.28Å; F89-Y98 AromaticContact CE1-CD1 3.31Å; F89-Y98 HydrophobicContact CE1-CD1 3.31Å; F89-Y98 AromaticContact CE1-CE1 3.87Å; F89-Y98 HydrophobicContact CE1-CE1 3.87Å; F89-Y98 HydrophobicContact CE1-CG 4.27Å; F89-Y98 HydrophobicContact CE2-CD1 4.25Å; F89-Y98 HydrophobicContact CE2-CG 4.47Å; F89-Y98 AromaticContact CZ-CD1 3.43Å; F89-Y98 HydrophobicContact CZ-CD1 3.43Å; F89-Y98 VanDerWaalsContact CZ-CD1 3.43Å; F89-Y98 HydrophobicContact CZ-CE1 4.42Å; F89-Y98 HydrophobicContact CZ-CG 4Å; V96-Y98 PolarHBondContact O-N 2.93Å; Y98-L101 PolarHBondContact O-N 2.99Å; Y98-L102 WeakPolarHBondContact O-CA 3.44Å; Y98-L102 VanDerWaalsContact O-CB 3.29Å; Y98-L102 WeakPolarHBondContact O-CB 3.49Å; Y98-L102 PolarHBondContact O-N 3.47Å
99E97.8Very high97.7Very high93 Ų9361 Ų6144%0.43532%0.317SS..Hα-helixtrans-67.8-38.7177-62.6-170.3123.500111.2K59 N97 L101 G103K59-E99 IonicContact NZ-OE1 2.79Å; K59-E99 PolarHBondContact NZ-OE1 3.13Å; N97-E99 VanDerWaalsContact C-N 3.25Å; N97-E99 PolarHBondContact O-N 3.38Å; N97-E99 PolarHBondContact OD1-N 3.14Å; N97-E99 VanDerWaalsContact OD1-N 3.15Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-G103 WeakPolarHBondContact O-CA 3.42Å; E99-G103 PolarHBondContact O-N 3.03Å
100A97.4Very high97.7Very high67 Ų6760.1 Ų60.155%0.55431%0.313SS*.Hα-helixtrans-67.9-35.2172.500000112.1N97N97-A100 HydrophobicContact CB-CB 4.25Å; N97-A100 PolarHBondContact O-N 3.38Å; N97-A100 PolarHBondContact OD1-N 3.41Å
101L97.7Very high97.7Very high24 Ų2458.5 Ų58.513%0.12631%0.306CS..Hα-helixtrans-78-40.3-176.9-171.968.8000113.2L17 W20 Y66 N97 Y98 E99L17-L101 HydrophobicContact CD1-CD1 3.53Å; W20-L101 HydrophobicContact CG-CD1 4.46Å; W20-L101 WeakPolarHBondContact CZ2-O 3.46Å; W20-L101 PolarHBondContact NE1-O 2.95Å; Y66-L101 HydrophobicContact CE1-CD2 4.33Å; Y66-L101 HydrophobicContact CE2-CD1 4.27Å; Y66-L101 HydrophobicContact CE2-CD2 3.94Å; Y66-L101 HydrophobicContact CE2-CG 4.15Å; Y66-L101 WeakPolarHBondContact OH-CD2 3.47Å; N97-L101 PolarHBondContact O-N 2.87Å; Y98-L101 PolarHBondContact O-N 2.99Å; E99-L101 VanDerWaalsContact C-N 3.33Å
102L98.4Very high97.7Very high10 Ų1055.3 Ų55.35%0.05231%0.307CS..Hα-helixtrans-116.47.9-170.2-56177.8000112.4W20 L56 Y61 V63 Y66 Y98 R104 C105 C106W20-L102 HydrophobicContact CZ2-CD2 4.26Å; L56-L102 HydrophobicContact CD1-CD1 4.21Å; Y61-L102 HydrophobicContact CD1-CB 3.76Å; Y61-L102 WeakPolarHBondContact CD1-O 3.49Å; Y61-L102 HydrophobicContact CE1-CB 4.11Å; Y61-L102 HydrophobicContact CG-CB 4.45Å; V63-L102 HydrophobicContact CG1-CD1 3.85Å; V63-L102 HydrophobicContact CG1-CD2 4.19Å; Y66-L102 HydrophobicContact CD1-CD2 3.87Å; Y66-L102 HydrophobicContact CD2-CD2 4.17Å; Y66-L102 HydrophobicContact CE1-CD2 4.42Å; Y66-L102 HydrophobicContact CG-CD2 3.74Å; Y98-L102 WeakPolarHBondContact O-CA 3.44Å; Y98-L102 VanDerWaalsContact O-CB 3.29Å; Y98-L102 WeakPolarHBondContact O-CB 3.49Å; Y98-L102 PolarHBondContact O-N 3.47Å; L102-R104 VanDerWaalsContact C-N 3.26Å; L102-R104 PolarHBondContact O-N 3.49Å; L102-R104 VanDerWaalsContact O-N 3.16Å; L102-C105 HydrophobicContact CB-CB 4.34Å; L102-C105 WeakPolarHBondContact O-CA 2.83Å; L102-C105 WeakPolarHBondContact O-CB 3.25Å; L102-C105 PolarHBondContact O-N 3.25Å; L102-C106 PolarHBondContact O-N 2.79Å
103G97.9Very high97.6Very high26 Ų2657.2 Ų57.227%0.26833%0.327SS..G310 helixtrans-52-43.3-174.700000113.4S31 E99 C105 C106S31-G103 WeakPolarHBondContact CB-O 3.23Å; E99-G103 WeakPolarHBondContact O-CA 3.42Å; E99-G103 PolarHBondContact O-N 3.03Å; G103-C105 PolarHBondContact O-N 3.33Å; G103-C106 VanDerWaalsContact O-CB 3.31Å; G103-C106 WeakPolarHBondContact O-CB 3.37Å; G103-C106 PolarHBondContact O-N 3.42Å; G103-C106 VanDerWaalsContact O-N 3.16Å
104R98.3Very high97.2Very high77 Ų7762 Ų6229%0.29134%0.343SS..G310 helixtrans-71-11177.2-59.2173.663.493.7-9.6114.2I24 S25 L27 D29 Q30 L102I24-R104 HydrophobicContact CD1-CB 3.68Å; I24-R104 HydrophobicContact CD1-CG 4.13Å; I24-R104 HydrophobicContact CG1-CB 4.01Å; I24-R104 HydrophobicContact CG1-CG 4.5Å; I24-R104 PolarHBondContact O-NE 3.18Å; S25-R104 PolarHBondContact O-NH2 3.39Å; L27-R104 PolarHBondContact O-NH2 3.43Å; D29-R104 WeakPolarHBondContact OD1-CA 3.4Å; D29-R104 IonicContact OD2-NH1 3.57Å; D29-R104 PolarHBondContact OD2-NH1 3.42Å; Q30-R104 WeakPolarHBondContact CB-O 3.17Å; Q30-R104 WeakPolarHBondContact CG-O 3.48Å; Q30-R104 PolarHBondContact N-O 2.9Å; L102-R104 VanDerWaalsContact C-N 3.26Å; L102-R104 PolarHBondContact O-N 3.49Å; L102-R104 VanDerWaalsContact O-N 3.16Å
105C98.5Very high96.7Very high8 Ų862.2 Ų62.25%0.05434%0.338CS..G310 helixtrans-92.1-5.3175.3-64.50000112.5Y61 D62 L102 G103 I107Y61-C105 CarbonylContact C-O 3.56Å; Y61-C105 WeakPolarHBondContact CA-O 3.25Å; Y61-C105 HydrophobicContact CD1-CB 4.37Å; D62-C105 PolarHBondContact N-O 2.78Å; D62-C105 WeakPolarHBondContact O-CB 3.07Å; D62-C105 PolarHBondContact O-SG 3Å; D62-C105 VanDerWaalsContact O-SG 3.36Å; L102-C105 HydrophobicContact CB-CB 4.34Å; L102-C105 WeakPolarHBondContact O-CA 2.83Å; L102-C105 WeakPolarHBondContact O-CB 3.25Å; L102-C105 PolarHBondContact O-N 3.25Å; G103-C105 PolarHBondContact O-N 3.33Å; C105-I107 PolarHBondContact O-N 3.03Å
106C98.6Very high96.7Very high26 Ų2655 Ų5518%0.17632%0.315CS..EExtended strand (participates in β ladder)trans-67.9120.9-177.1-174.40000110.8Q30 S31 Y61 L102 G103Q30-C106 CarbonylContact C-O 3.59Å; Q30-C106 VanDerWaalsContact C-O 3.28Å; Q30-C106 WeakPolarHBondContact CB-O 3.32Å; S31-C106 PolarHBondContact N-O 2.91Å; Y61-C106 HydrophobicContact CD1-CB 3.96Å; Y61-C106 HydrophobicContact CE1-CB 3.77Å; L102-C106 PolarHBondContact O-N 2.79Å; G103-C106 VanDerWaalsContact O-CB 3.31Å; G103-C106 WeakPolarHBondContact O-CB 3.37Å; G103-C106 PolarHBondContact O-N 3.42Å; G103-C106 VanDerWaalsContact O-N 3.16Å
107I98.3Very high96.6Very high22 Ų2255.5 Ų55.511%0.11332%0.318CS..EExtended strand (participates in β ladder)trans-92.6-36.8-179.2-61.6-65.1000111.2Q30 I36 W53 V60 D62 C105Q30-I107 HydrophobicContact CB-CD1 4.07Å; Q30-I107 HydrophobicContact CG-CD1 4Å; I36-I107 HydrophobicContact CD1-CG2 3.54Å; I36-I107 HydrophobicContact CG1-CG2 3.54Å; I36-I107 PolarHBondContact N-O 3.31Å; W53-I107 HydrophobicContact CH2-CG2 3.81Å; W53-I107 HydrophobicContact CZ2-CD1 4.37Å; W53-I107 HydrophobicContact CZ2-CG1 4.26Å; W53-I107 HydrophobicContact CZ2-CG2 4.12Å; W53-I107 HydrophobicContact CZ3-CG2 4.12Å; V60-I107 PolarHBondContact O-N 3.5Å; D62-I107 HydrophobicContact CB-CD1 3.86Å; D62-I107 HydrophobicContact CB-CG1 3.89Å; C105-I107 PolarHBondContact O-N 3.03Å
108G98.3Very high96.6Very high6 Ų652.9 Ų52.96%0.06231%0.305CS..EExtended strand (participates in β ladder)trans160-153.9-179.100000114I36 K59 V60I36-G108 CarbonylContact O-C 3.58Å; I36-G108 WeakPolarHBondContact O-CA 3.06Å; K59-G108 WeakPolarHBondContact CA-O 3.28Å; V60-G108 PolarHBondContact N-O 3.18Å
109Q98.4Very high96.5Very high84 Ų8454.1 Ų54.139%0.39332%0.315SS..EExtended strand (participates in β ladder)trans-105.5132.5-170.5-179.861.543.500110.6I36 Y37 V38 G58I36-Q109 PolarHBondContact O-N 3.15Å; Y37-Q109 CarbonylContact C-O 3.46Å; Y37-Q109 WeakPolarHBondContact CA-O 3.33Å; Y37-Q109 HydrophobicContact CD1-CB 4.18Å; Y37-Q109 HydrophobicContact CE1-CB 4.35Å; V38-Q109 PolarHBondContact N-O 3.41Å; G58-Q109 PolarHBondContact O-NE2 3.15Å; G58-Q109 PolarHBondContact O-OE1 2.89Å
110F98.6Very high96.4Very high15 Ų1551.6 Ų51.67%0.06631%0.308CS..EExtended strand (participates in β ladder)trans-73.5139.2170.5-175.2-94000111.3V38 A40 L43 L55 G58 V60 P113 P115V38-F110 CarbonylContact O-C 3.15Å; V38-F110 VanDerWaalsContact O-CA 3.31Å; V38-F110 WeakPolarHBondContact O-CA 3.49Å; V38-F110 VanDerWaalsContact O-CD2 3.23Å; V38-F110 WeakPolarHBondContact O-CD2 3.42Å; A40-F110 HydrophobicContact CB-CE2 4.3Å; A40-F110 HydrophobicContact CB-CZ 4.03Å; L43-F110 HydrophobicContact CD2-CD2 4.36Å; L43-F110 HydrophobicContact CD2-CE2 4.17Å; L55-F110 HydrophobicContact CD1-CB 3.55Å; L55-F110 HydrophobicContact CD1-CG 4.09Å; L55-F110 HydrophobicContact CD2-CB 4Å; L55-F110 HydrophobicContact CD2-CD1 3.83Å; L55-F110 HydrophobicContact CD2-CD2 3.74Å; L55-F110 HydrophobicContact CD2-CE1 4.25Å; L55-F110 HydrophobicContact CD2-CE2 4.15Å; L55-F110 HydrophobicContact CD2-CG 3.56Å; L55-F110 HydrophobicContact CD2-CZ 4.41Å; L55-F110 HydrophobicContact CG-CB 4.4Å; L55-F110 HydrophobicContact CG-CG 4.44Å; G58-F110 WeakPolarHBondContact O-CB 3.45Å; G58-F110 PolarHBondContact O-N 3.17Å; V60-F110 HydrophobicContact CG2-CB 4.02Å; V60-F110 HydrophobicContact CG2-CD2 4.38Å; F110-P113 VanDerWaalsContact CE1-O 3.31Å; F110-P113 WeakPolarHBondContact CE1-O 3.27Å; F110-P113 VanDerWaalsContact CZ-O 3.31Å; F110-P113 WeakPolarHBondContact CZ-O 3.48Å; F110-P115 HydrophobicContact CE2-CG 4.42Å; F110-P115 HydrophobicContact CZ-CG 4.3Å
111V98.2Very high96.4Very high52 Ų5250.6 Ų50.632%0.31529%0.291SS..EExtended strand (participates in β ladder)trans-130.7141.2178.4-63.30000112Y37 V38 T39Y37-V111 HydrophobicContact CD1-CG1 3.46Å; Y37-V111 VanDerWaalsContact CD1-CG1 3.46Å; Y37-V111 HydrophobicContact CE1-CG1 4.25Å; Y37-V111 HydrophobicContact CG-CG1 4Å; V38-V111 PolarHBondContact O-N 3.44Å; T39-V111 HydrophobicContact CG2-CG2 3.95Å
112G96.3Very high96.3Very high60 Ų6052.5 Ų52.562%0.61930%0.303SS*.SBendtrans99.6-169.2-179.500000113.7
113P94.2Very high96.1Very high114 Ų11455.8 Ų55.874%0.7432%0.323SS*.SBendtrans-61.9139.8175.8-2032.4000111F110F110-P113 VanDerWaalsContact CE1-O 3.31Å; F110-P113 WeakPolarHBondContact CE1-O 3.27Å; F110-P113 VanDerWaalsContact CZ-O 3.31Å; F110-P113 WeakPolarHBondContact CZ-O 3.48Å
114R88.7Confident96Very high157 Ų15758.3 Ų58.359%0.59233%0.327SS*.  trans-65.2134.1176.3-62.7-172.4-172.6-147.28.6110.2D84D84-R114 WeakPolarHBondContact OD2-CD 3.47Å; D84-R114 IonicContact OD2-NH1 2.81Å
115P85.3Confident95.8Very high78 Ų7856.5 Ų56.551%0.50633%0.331SS..  trans-80.10-178.433.8-35000113.6A40 L43 D84 F110A40-P115 HydrophobicContact CB-CB 4.31Å; L43-P115 HydrophobicContact CD2-CG 3.99Å; D84-P115 HydrophobicContact CB-CG 4.27Å; F110-P115 HydrophobicContact CE2-CG 4.42Å; F110-P115 HydrophobicContact CZ-CG 4.3Å

Retrieved 115 of 115 residues in 78.1 ms (Link to these results)

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