A0A087Y8I7_POEFO Loading...

Heteroous nuclear ribonucleoprotein U like 1

AlphaFold DB , UniProt , Accession A0A087Y8I7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 897 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
1T40.8Very low74.1Confident167 Ų167112.2 Ų112.2100%1.02558%0.584SS**  0151.8031.80000110.2
2M39.8Very low75.2Confident184 Ų184112.5 Ų112.591%0.90659%0.587SS**  trans-93.1127.4170.6-80.5-171.3174.200109.1L4M2-L4 PolarHBondContact O-N 2.59Å
3S52.6Low76.3Confident128 Ų128108.7 Ų108.790%0.89557%0.565SS**  trans-69118177.3-175.10000110.8
4L77.1Confident77.4Confident92 Ų92100.9 Ų100.948%0.48252%0.524SS..  trans-85112.2177.6-80164.5000110.1M2 V6M2-L4 PolarHBondContact O-N 2.59Å; L4-V6 PolarHBondContact O-N 2.99Å
5D81.9Confident78.3Confident69 Ų6998.7 Ų98.737%0.36951%0.509SS..  trans-7487.6176.3-173.7-13.7000111.5K7 K8D5-K7 PolarHBondContact O-N 2.82Å; D5-K7 VanDerWaalsContact O-N 3.09Å; D5-K7 WeakPolarHBondContact OD1-CB 3.49Å; D5-K7 PolarHBondContact OD1-N 2.82Å; D5-K7 VanDerWaalsContact OD1-N 3.09Å; D5-K8 HydrophobicContact CB-CB 4.5Å; D5-K8 HydrophobicContact CB-CD 4.37Å; D5-K8 HydrophobicContact CB-CG 4.39Å; D5-K8 PolarHBondContact O-N 2.65Å; D5-K8 WeakPolarHBondContact OD2-CD 2.96Å; D5-K8 WeakPolarHBondContact OD2-CE 3.22Å; D5-K8 WeakPolarHBondContact OD2-CG 3.42Å; D5-K8 IonicContact OD2-NZ 3.3Å; D5-K8 PolarHBondContact OD2-NZ 2.67Å
6V84.8Confident79.2Confident17 Ų17100.9 Ų100.910%0.10352%0.516CS..THydrogen-bonded Turntrans-52.5-30179.8-179.20000112.9L4 K8 L9 L14 M33 L36 L40L4-V6 PolarHBondContact O-N 2.99Å; V6-K8 PolarHBondContact O-N 2.7Å; V6-L9 PolarHBondContact O-N 3.41Å; V6-L14 HydrophobicContact CG1-CD2 3.89Å; V6-M33 HydrophobicContact CG1-CB 3.83Å; V6-M33 HydrophobicContact CG1-CG 4.01Å; V6-L36 HydrophobicContact CG1-CB 4.49Å; V6-L36 HydrophobicContact CG1-CD2 4.35Å; V6-L36 HydrophobicContact CG2-CD2 4.41Å; V6-L36 HydrophobicContact CG2-CG 4.49Å; V6-L40 HydrophobicContact CG2-CD1 3.7Å
7K84.6Confident79.7Confident176 Ų17696.9 Ų96.977%0.76550%0.495SS*.THydrogen-bonded Turntrans-69.9-33.2-178.7-65.3-178.5178.4177.60112D5 K29D5-K7 PolarHBondContact O-N 2.82Å; D5-K7 VanDerWaalsContact O-N 3.09Å; D5-K7 WeakPolarHBondContact OD1-CB 3.49Å; D5-K7 PolarHBondContact OD1-N 2.82Å; D5-K7 VanDerWaalsContact OD1-N 3.09Å; K7-K29 PolarHBondContact O-NZ 2.75Å
8K87.1Confident80.4Confident166 Ų16691.5 Ų91.572%0.72247%0.467SS*.THydrogen-bonded Turntrans-75.9-21.3179.9-70.6-173.6177.396.10113.8D5 V6D5-K8 HydrophobicContact CB-CB 4.5Å; D5-K8 HydrophobicContact CB-CD 4.37Å; D5-K8 HydrophobicContact CB-CG 4.39Å; D5-K8 PolarHBondContact O-N 2.65Å; D5-K8 WeakPolarHBondContact OD2-CD 2.96Å; D5-K8 WeakPolarHBondContact OD2-CE 3.22Å; D5-K8 WeakPolarHBondContact OD2-CG 3.42Å; D5-K8 IonicContact OD2-NZ 3.3Å; D5-K8 PolarHBondContact OD2-NZ 2.67Å; V6-K8 PolarHBondContact O-N 2.7Å
9L87.4Confident81Confident36 Ų3694.1 Ų94.119%0.18848%0.477CS..  trans-65.7146.5-178.8-61.1179.2000112.7V6 E13 L14 K29 L36V6-L9 PolarHBondContact O-N 3.41Å; L9-E13 WeakPolarHBondContact CA-OE2 3.48Å; L9-E13 HydrophobicContact CB-CB 4.29Å; L9-E13 HydrophobicContact CD2-CB 4.32Å; L9-L14 HydrophobicContact CB-CD2 3.83Å; L9-L14 HydrophobicContact CB-CG 3.82Å; L9-L14 HydrophobicContact CD1-CD2 3.88Å; L9-L14 HydrophobicContact CG-CD2 4.48Å; L9-K29 WeakPolarHBondContact O-CE 3.43Å; L9-K29 PolarHBondContact O-NZ 2.82Å; L9-L36 HydrophobicContact CD1-CD2 3.98Å
10K90.9Very high81.4Confident137 Ų13798.7 Ų98.760%0.59649%0.488SS*.  trans-84.3163.7172.9-56.9-174.1-157.593.70111.2N12 E13 L14K10-N12 PolarHBondContact O-N 3.13Å; K10-N12 VanDerWaalsContact O-N 3.16Å; K10-E13 HydrophobicContact CB-CG 4.34Å; K10-E13 WeakPolarHBondContact CD-OE1 3.44Å; K10-E13 WeakPolarHBondContact CG-OE1 3.1Å; K10-E13 PolarHBondContact N-OE2 3.15Å; K10-E13 IonicContact NZ-OE1 3.98Å; K10-E13 PolarHBondContact NZ-OE1 2.96Å; K10-E13 PolarHBondContact O-N 3.1Å; K10-E13 VanDerWaalsContact O-N 3.12Å; K10-L14 WeakPolarHBondContact O-CG 3.47Å; K10-L14 PolarHBondContact O-N 3.37Å
11V87.9Confident81.7Confident62 Ų6297.1 Ų97.138%0.37648%0.477SS..Hα-helixtrans-55.4-36.2-178.4179.60000112.8K15 K29 L32V11-K15 HydrophobicContact CG1-CD 4.46Å; V11-K15 VanDerWaalsContact O-CG 3.31Å; V11-K15 WeakPolarHBondContact O-CG 3.48Å; V11-K15 PolarHBondContact O-N 3.46Å; V11-K29 HydrophobicContact CG2-CB 4.03Å; V11-K29 HydrophobicContact CG2-CD 4.36Å; V11-K29 HydrophobicContact CG2-CG 3.9Å; V11-L32 HydrophobicContact CG1-CD1 4.25Å
12N87.2Confident84Confident116 Ų11692.6 Ų92.662%0.6246%0.463SS*.Hα-helixtrans-71.6-46.5178.1-63.10.8000111.5K10 L14 K15 E16K10-N12 PolarHBondContact O-N 3.13Å; K10-N12 VanDerWaalsContact O-N 3.16Å; N12-L14 VanDerWaalsContact C-N 3.32Å; N12-L14 PolarHBondContact O-N 3.32Å; N12-K15 PolarHBondContact O-N 2.75Å; N12-E16 WeakPolarHBondContact O-CG 3.49Å; N12-E16 PolarHBondContact O-N 3.49Å
13E90.3Very high86.4Confident63 Ų6386.9 Ų86.929%0.29444%0.436SS..Hα-helixtrans-59.9-42.6178.9-62.7153.9-160.900110.6L9 K10 K15 E16 E17L9-E13 WeakPolarHBondContact CA-OE2 3.48Å; L9-E13 HydrophobicContact CB-CB 4.29Å; L9-E13 HydrophobicContact CD2-CB 4.32Å; K10-E13 HydrophobicContact CB-CG 4.34Å; K10-E13 WeakPolarHBondContact CD-OE1 3.44Å; K10-E13 WeakPolarHBondContact CG-OE1 3.1Å; K10-E13 PolarHBondContact N-OE2 3.15Å; K10-E13 IonicContact NZ-OE1 3.98Å; K10-E13 PolarHBondContact NZ-OE1 2.96Å; K10-E13 PolarHBondContact O-N 3.1Å; K10-E13 VanDerWaalsContact O-N 3.12Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-K15 PolarHBondContact O-N 2.9Å; E13-E16 PolarHBondContact O-N 3Å; E13-E17 WeakPolarHBondContact O-CB 3.43Å; E13-E17 PolarHBondContact O-N 3.23Å
14L90.5Very high88.1Confident0 Ų084.9 Ų84.90%042%0.415CS..Hα-helixtrans-60.1-40.3172.7-70.2166.3000112.9V6 L9 K10 N12 L18 K29 L32 M33 L36V6-L14 HydrophobicContact CG1-CD2 3.89Å; L9-L14 HydrophobicContact CB-CD2 3.83Å; L9-L14 HydrophobicContact CB-CG 3.82Å; L9-L14 HydrophobicContact CD1-CD2 3.88Å; L9-L14 HydrophobicContact CG-CD2 4.48Å; K10-L14 WeakPolarHBondContact O-CG 3.47Å; K10-L14 PolarHBondContact O-N 3.37Å; N12-L14 VanDerWaalsContact C-N 3.32Å; N12-L14 PolarHBondContact O-N 3.32Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 WeakPolarHBondContact O-CD1 3.2Å; L14-L18 VanDerWaalsContact O-CG 3.24Å; L14-L18 WeakPolarHBondContact O-CG 3.3Å; L14-L18 PolarHBondContact O-N 2.97Å; L14-K29 HydrophobicContact CD1-CD 4.37Å; L14-K29 HydrophobicContact CD1-CG 3.72Å; L14-L32 HydrophobicContact CB-CB 4.31Å; L14-M33 HydrophobicContact CD1-CG 3.46Å; L14-M33 VanDerWaalsContact CD1-CG 3.46Å; L14-M33 HydrophobicContact CD1-SD 4.42Å; L14-M33 HydrophobicContact CD2-CG 3.85Å; L14-M33 HydrophobicContact CG-CG 4.32Å; L14-L36 HydrophobicContact CD2-CD2 3.75Å
15K91.6Very high88.9Confident68 Ų6882.5 Ų82.530%0.29641%0.405SS..Hα-helixtrans-73-38178.7-72.4-178.5-172-135.40112.3V11 N12 E13 E17 Q19 T25 L32V11-K15 HydrophobicContact CG1-CD 4.46Å; V11-K15 VanDerWaalsContact O-CG 3.31Å; V11-K15 WeakPolarHBondContact O-CG 3.48Å; V11-K15 PolarHBondContact O-N 3.46Å; N12-K15 PolarHBondContact O-N 2.75Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-K15 PolarHBondContact O-N 2.9Å; K15-E17 VanDerWaalsContact C-N 3.34Å; K15-Q19 WeakPolarHBondContact O-CB 3.34Å; K15-Q19 PolarHBondContact O-N 3.36Å; K15-T25 HydrophobicContact CB-CG2 4.07Å; K15-T25 WeakPolarHBondContact CE-O 3.31Å; K15-T25 HydrophobicContact CG-CG2 4.37Å; K15-T25 PolarHBondContact NZ-O 3.03Å; K15-T25 VanDerWaalsContact O-CG2 3.3Å; K15-T25 WeakPolarHBondContact O-CG2 3.23Å; K15-L32 HydrophobicContact CD-CD1 4.42Å; K15-L32 VanDerWaalsContact CE-CD1 3.44Å; K15-L32 HydrophobicContact CG-CD1 4.03Å; K15-L32 HydrophobicContact CG-CD2 4.31Å
16E91.9Very high89.1Confident134 Ų13488.4 Ų88.463%0.62642%0.422SS*.Hα-helixtrans-64.1-40.9174.8-72.7175.2-169.900111N12 E13 Q19 R20N12-E16 WeakPolarHBondContact O-CG 3.49Å; N12-E16 PolarHBondContact O-N 3.49Å; E13-E16 PolarHBondContact O-N 3Å; E16-Q19 PolarHBondContact O-N 3.24Å; E16-R20 WeakPolarHBondContact O-CB 3.28Å; E16-R20 PolarHBondContact O-N 3.46Å
17E88.6Confident89.3Confident32 Ų3289.4 Ų89.415%0.1544%0.436CS..Hα-helixtrans-75.7-33.5-179.3-155.660.4-149.100113.3E13 K15 R20 R21 L36E13-E17 WeakPolarHBondContact O-CB 3.43Å; E13-E17 PolarHBondContact O-N 3.23Å; K15-E17 VanDerWaalsContact C-N 3.34Å; E17-R20 IonicContact OE1-CZ 3.61Å; E17-R20 IonicContact OE1-NH1 2.64Å; E17-R20 PolarHBondContact OE1-NH1 2.54Å; E17-R20 IonicContact OE2-CZ 2.67Å; E17-R20 IonicContact OE2-NH1 2.61Å; E17-R20 PolarHBondContact OE2-NH1 3.01Å; E17-R21 PolarHBondContact O-N 3.25Å; E17-R21 IonicContact OE1-CZ 2.6Å; E17-R21 IonicContact OE1-NH1 3.47Å; E17-R21 PolarHBondContact OE1-NH1 3.38Å; E17-L36 HydrophobicContact CB-CD1 4.19Å; E17-L36 HydrophobicContact CB-CD2 4Å; E17-L36 HydrophobicContact CG-CD1 3.95Å; E17-L36 HydrophobicContact CG-CD2 4.14Å
18L91.9Very high89.6Confident0 Ų087.4 Ų87.40%043%0.433CS..Hα-helixtrans-65.7-43.4166.9-76.7168.4000111.7L14 R20 R21 G22 L23 T25 L32 R35 L36L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 WeakPolarHBondContact O-CD1 3.2Å; L14-L18 VanDerWaalsContact O-CG 3.24Å; L14-L18 WeakPolarHBondContact O-CG 3.3Å; L14-L18 PolarHBondContact O-N 2.97Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.77Å; L18-R21 CarbonylContact O-C 3.54Å; L18-R21 WeakPolarHBondContact O-CA 3.47Å; L18-R21 PolarHBondContact O-N 2.96Å; L18-R21 VanDerWaalsContact O-N 3.07Å; L18-G22 PolarHBondContact O-N 3.07Å; L18-G22 VanDerWaalsContact O-N 3.09Å; L18-L23 HydrophobicContact CB-CB 4.28Å; L18-L23 HydrophobicContact CD2-CB 3.77Å; L18-L23 HydrophobicContact CD2-CD1 3.76Å; L18-L23 HydrophobicContact CD2-CG 4.43Å; L18-L23 PolarHBondContact O-N 3.3Å; L18-T25 HydrophobicContact CB-CG2 4.2Å; L18-L32 HydrophobicContact CD1-CB 3.96Å; L18-L32 HydrophobicContact CD1-CD2 3.49Å; L18-L32 VanDerWaalsContact CD1-CD2 3.49Å; L18-L32 HydrophobicContact CD1-CG 4.33Å; L18-R35 HydrophobicContact CD2-CB 4.08Å; L18-R35 HydrophobicContact CD2-CG 3.87Å; L18-L36 HydrophobicContact CD2-CB 3.96Å; L18-L36 HydrophobicContact CD2-CD1 4.33Å; L18-L36 HydrophobicContact CG-CB 4.19Å; L18-L36 HydrophobicContact CG-CD1 4.48Å
19Q91.1Very high89.6Confident140 Ų14083 Ų8365%0.65441%0.413SS*.Hα-helixtrans-66.8-34.4179.4-173.4171.33.300111.9K15 E16 R21 G22 T25K15-Q19 WeakPolarHBondContact O-CB 3.34Å; K15-Q19 PolarHBondContact O-N 3.36Å; E16-Q19 PolarHBondContact O-N 3.24Å; Q19-R21 PolarHBondContact O-N 3.06Å; Q19-G22 PolarHBondContact O-N 3.11Å; Q19-G22 VanDerWaalsContact O-N 3.09Å; Q19-T25 HydrophobicContact CB-CG2 3.99Å
20R89.4Confident89.7Confident186 Ų18684 Ų8470%0.70243%0.427SS*.Hα-helixtrans-58.5-35.7170.1177.5-179.7-74.2150.12.8112E16 E17 L18E16-R20 WeakPolarHBondContact O-CB 3.28Å; E16-R20 PolarHBondContact O-N 3.46Å; E17-R20 IonicContact OE1-CZ 3.61Å; E17-R20 IonicContact OE1-NH1 2.64Å; E17-R20 PolarHBondContact OE1-NH1 2.54Å; E17-R20 IonicContact OE2-CZ 2.67Å; E17-R20 IonicContact OE2-NH1 2.61Å; E17-R20 PolarHBondContact OE2-NH1 3.01Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.77Å
21R88Confident89.6Confident67 Ų6780 Ų8025%0.25341%0.412SS..THydrogen-bonded Turntrans-87.93.9175.8-70.9173.6168.769.98.5114.1E17 L18 Q19 L23 E43E17-R21 PolarHBondContact O-N 3.25Å; E17-R21 IonicContact OE1-CZ 2.6Å; E17-R21 IonicContact OE1-NH1 3.47Å; E17-R21 PolarHBondContact OE1-NH1 3.38Å; L18-R21 CarbonylContact O-C 3.54Å; L18-R21 WeakPolarHBondContact O-CA 3.47Å; L18-R21 PolarHBondContact O-N 2.96Å; L18-R21 VanDerWaalsContact O-N 3.07Å; Q19-R21 PolarHBondContact O-N 3.06Å; R21-L23 HydrophobicContact CB-CD1 3.94Å; R21-L23 HydrophobicContact CB-CG 4.11Å; R21-L23 PolarHBondContact O-N 2.97Å; R21-E43 WeakPolarHBondContact CD-OE1 3.17Å; R21-E43 IonicContact CZ-OE1 2.79Å; R21-E43 IonicContact CZ-OE2 3.91Å; R21-E43 VanDerWaalsContact NE-CD 3.34Å; R21-E43 IonicContact NE-OE1 3.83Å; R21-E43 PolarHBondContact NE-OE1 2.98Å; R21-E43 IonicContact NE-OE2 2.96Å; R21-E43 PolarHBondContact NE-OE2 3.1Å; R21-E43 IonicContact NH2-OE1 3.96Å; R21-E43 PolarHBondContact NH2-OE1 3.24Å; R21-E43 IonicContact NH2-OE2 2.64Å; R21-E43 PolarHBondContact NH2-OE2 2.93Å
22G90.1Very high89.8Confident71 Ų7177.1 Ų77.173%0.73240%0.395SS*.THydrogen-bonded Turntrans71.511-178.800000115.4L18 Q19L18-G22 PolarHBondContact O-N 3.07Å; L18-G22 VanDerWaalsContact O-N 3.09Å; Q19-G22 PolarHBondContact O-N 3.11Å; Q19-G22 VanDerWaalsContact O-N 3.09Å
23L89.8Confident90Very high65 Ų6573.8 Ų73.834%0.3438%0.376SS..  trans-86.8155.8-175.8-62.8169.7000112.1L18 R21 T25 A39L18-L23 HydrophobicContact CB-CB 4.28Å; L18-L23 HydrophobicContact CD2-CB 3.77Å; L18-L23 HydrophobicContact CD2-CD1 3.76Å; L18-L23 HydrophobicContact CD2-CG 4.43Å; L18-L23 PolarHBondContact O-N 3.3Å; R21-L23 HydrophobicContact CB-CD1 3.94Å; R21-L23 HydrophobicContact CB-CG 4.11Å; R21-L23 PolarHBondContact O-N 2.97Å; L23-T25 PolarHBondContact O-N 2.76Å; L23-A39 HydrophobicContact CD1-CB 3.57Å
24D88.3Confident90.1Very high85 Ų8577.4 Ų77.446%0.45539%0.393SS..  trans-64.2135.8-179.4-173.115.6000111.7R26 R35D24-R26 VanDerWaalsContact OD1-CG 3.32Å; D24-R26 WeakPolarHBondContact OD1-CG 3.4Å; D24-R26 PolarHBondContact OD1-N 2.58Å; D24-R26 WeakPolarHBondContact OD2-CB 3.39Å; D24-R35 PolarHBondContact O-NH1 2.76Å
25T92.7Very high90.2Very high42 Ų4281 Ų8126%0.25841%0.407SS..  trans-1039.5-177.756.60000113K15 L18 Q19 L23K15-T25 HydrophobicContact CB-CG2 4.07Å; K15-T25 WeakPolarHBondContact CE-O 3.31Å; K15-T25 HydrophobicContact CG-CG2 4.37Å; K15-T25 PolarHBondContact NZ-O 3.03Å; K15-T25 VanDerWaalsContact O-CG2 3.3Å; K15-T25 WeakPolarHBondContact O-CG2 3.23Å; L18-T25 HydrophobicContact CB-CG2 4.2Å; Q19-T25 HydrophobicContact CB-CG2 3.99Å; L23-T25 PolarHBondContact O-N 2.76Å
26R87.4Confident90.3Very high193 Ų19377.9 Ų77.973%0.72839%0.393SS*.  trans-87145.6172.6-60.9168.3-179-161.70.8111.2D24 R35D24-R26 VanDerWaalsContact OD1-CG 3.32Å; D24-R26 WeakPolarHBondContact OD1-CG 3.4Å; D24-R26 PolarHBondContact OD1-N 2.58Å; D24-R26 WeakPolarHBondContact OD2-CB 3.39Å; R26-R35 PolarHBondContact O-NH1 3.42Å
27G88.6Confident90.2Very high38 Ų3876.3 Ų76.339%0.39238%0.384SS..SBendtrans132.4172.8-176.100000113.6D31G27-D31 WeakPolarHBondContact CA-OD2 3.37Å
28L90.6Very high90.3Very high134 Ų13477.4 Ų77.470%0.70240%0.398SS*.  trans-77.7174.7165.9-63.9172.8000110.4A30 D31 L32L28-A30 VanDerWaalsContact C-N 3.26Å; L28-A30 PolarHBondContact O-N 2.85Å; L28-D31 PolarHBondContact N-OD2 3.42Å; L28-D31 PolarHBondContact O-N 3.39Å; L28-L32 WeakPolarHBondContact O-CD1 3.45Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.13Å; L28-L32 PolarHBondContact O-N 2.72Å
29K88.1Confident90.3Very high74 Ų7478.3 Ų78.332%0.32241%0.406SS..Hα-helixtrans-58.8-38.5-179.1-163.9-166.3179.7-160.30111.9K7 L9 V11 L14 L32 M33K7-K29 PolarHBondContact O-NZ 2.75Å; L9-K29 WeakPolarHBondContact O-CE 3.43Å; L9-K29 PolarHBondContact O-NZ 2.82Å; V11-K29 HydrophobicContact CG2-CB 4.03Å; V11-K29 HydrophobicContact CG2-CD 4.36Å; V11-K29 HydrophobicContact CG2-CG 3.9Å; L14-K29 HydrophobicContact CD1-CD 4.37Å; L14-K29 HydrophobicContact CD1-CG 3.72Å; K29-L32 PolarHBondContact O-N 2.97Å; K29-M33 HydrophobicContact CD-CE 4.13Å; K29-M33 HydrophobicContact CD-SD 4Å; K29-M33 VanDerWaalsContact CE-SD 3.52Å; K29-M33 HydrophobicContact CG-CE 4.09Å; K29-M33 HydrophobicContact CG-CG 4.29Å; K29-M33 HydrophobicContact CG-SD 4.14Å; K29-M33 WeakPolarHBondContact O-CG 3.22Å; K29-M33 PolarHBondContact O-N 2.9Å
30A88.8Confident90.2Very high58 Ų5873.8 Ų73.848%0.47939%0.386SS..Hα-helixtrans-58-57.9-179.700000111.3L28 L32 M33 E34L28-A30 VanDerWaalsContact C-N 3.26Å; L28-A30 PolarHBondContact O-N 2.85Å; A30-L32 PolarHBondContact O-N 2.81Å; A30-L32 VanDerWaalsContact O-N 3.15Å; A30-M33 PolarHBondContact O-N 3.1Å; A30-E34 WeakPolarHBondContact O-CB 3.32Å; A30-E34 PolarHBondContact O-N 3.5Å
31D88.7Confident90Very high53 Ų5369.3 Ų69.328%0.28337%0.373SS..Hα-helixtrans-59.2-30.2-177.9-4.6-27.2000112.3G27 L28 R35G27-D31 WeakPolarHBondContact CA-OD2 3.37Å; L28-D31 PolarHBondContact N-OD2 3.42Å; L28-D31 PolarHBondContact O-N 3.39Å; D31-R35 WeakPolarHBondContact O-CB 3.21Å; D31-R35 PolarHBondContact O-N 3Å; D31-R35 VanDerWaalsContact O-N 3.1Å
32L91.9Very high89.8Confident0 Ų068.3 Ų68.30%038%0.379CS..Hα-helixtrans-78.5-36.5176.2-61.5164.6000112.5V11 L14 K15 L18 L28 K29 A30 L36V11-L32 HydrophobicContact CG1-CD1 4.25Å; L14-L32 HydrophobicContact CB-CB 4.31Å; K15-L32 HydrophobicContact CD-CD1 4.42Å; K15-L32 VanDerWaalsContact CE-CD1 3.44Å; K15-L32 HydrophobicContact CG-CD1 4.03Å; K15-L32 HydrophobicContact CG-CD2 4.31Å; L18-L32 HydrophobicContact CD1-CB 3.96Å; L18-L32 HydrophobicContact CD1-CD2 3.49Å; L18-L32 VanDerWaalsContact CD1-CD2 3.49Å; L18-L32 HydrophobicContact CD1-CG 4.33Å; L28-L32 WeakPolarHBondContact O-CD1 3.45Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.13Å; L28-L32 PolarHBondContact O-N 2.72Å; K29-L32 PolarHBondContact O-N 2.97Å; A30-L32 PolarHBondContact O-N 2.81Å; A30-L32 VanDerWaalsContact O-N 3.15Å; L32-L36 WeakPolarHBondContact O-CB 3.34Å; L32-L36 PolarHBondContact O-N 2.96Å; L32-L36 VanDerWaalsContact O-N 3.13Å
33M91.6Very high89.5Confident46 Ų4668.6 Ų68.623%0.22736%0.361CS..Hα-helixtrans-68.1-43.4172.8-71.4-177.4-56.100111.2V6 L14 K29 A30 L36 K37V6-M33 HydrophobicContact CG1-CB 3.83Å; V6-M33 HydrophobicContact CG1-CG 4.01Å; L14-M33 HydrophobicContact CD1-CG 3.46Å; L14-M33 VanDerWaalsContact CD1-CG 3.46Å; L14-M33 HydrophobicContact CD1-SD 4.42Å; L14-M33 HydrophobicContact CD2-CG 3.85Å; L14-M33 HydrophobicContact CG-CG 4.32Å; K29-M33 HydrophobicContact CD-CE 4.13Å; K29-M33 HydrophobicContact CD-SD 4Å; K29-M33 VanDerWaalsContact CE-SD 3.52Å; K29-M33 HydrophobicContact CG-CE 4.09Å; K29-M33 HydrophobicContact CG-CG 4.29Å; K29-M33 HydrophobicContact CG-SD 4.14Å; K29-M33 WeakPolarHBondContact O-CG 3.22Å; K29-M33 PolarHBondContact O-N 2.9Å; A30-M33 PolarHBondContact O-N 3.1Å; M33-L36 PolarHBondContact O-N 2.96Å; M33-K37 VanDerWaalsContact O-CB 3.26Å; M33-K37 WeakPolarHBondContact O-CB 3.38Å; M33-K37 PolarHBondContact O-N 2.75Å
34E92.5Very high89.1Confident140 Ų14067.8 Ų67.865%0.65436%0.364SS*.Hα-helixtrans-61.8-49.2177.9-175.8174.7-158.100111.3A30 L36 K37 A38A30-E34 WeakPolarHBondContact O-CB 3.32Å; A30-E34 PolarHBondContact O-N 3.5Å; E34-L36 VanDerWaalsContact C-N 3.33Å; E34-L36 PolarHBondContact O-N 2.93Å; E34-K37 PolarHBondContact O-N 2.83Å; E34-A38 WeakPolarHBondContact O-CB 3.31Å; E34-A38 PolarHBondContact O-N 3.47Å
35R93.3Very high88.3Confident76 Ų7670.4 Ų70.429%0.28737%0.374SS..Hα-helixtrans-64.1-34.1178.2-167.4178.2-55.4136.812.9113.4L18 D24 R26 D31 A39L18-R35 HydrophobicContact CD2-CB 4.08Å; L18-R35 HydrophobicContact CD2-CG 3.87Å; D24-R35 PolarHBondContact O-NH1 2.76Å; R26-R35 PolarHBondContact O-NH1 3.42Å; D31-R35 WeakPolarHBondContact O-CB 3.21Å; D31-R35 PolarHBondContact O-N 3Å; D31-R35 VanDerWaalsContact O-N 3.1Å; R35-A39 PolarHBondContact O-N 2.99Å
36L92.1Very high87.2Confident1 Ų174.8 Ų74.81%0.00539%0.391CS..Hα-helixtrans-75.3-38.1175.1-176.761.4000111.6V6 L9 L14 E17 L18 L32 M33 E34 A39 L40V6-L36 HydrophobicContact CG1-CB 4.49Å; V6-L36 HydrophobicContact CG1-CD2 4.35Å; V6-L36 HydrophobicContact CG2-CD2 4.41Å; V6-L36 HydrophobicContact CG2-CG 4.49Å; L9-L36 HydrophobicContact CD1-CD2 3.98Å; L14-L36 HydrophobicContact CD2-CD2 3.75Å; E17-L36 HydrophobicContact CB-CD1 4.19Å; E17-L36 HydrophobicContact CB-CD2 4Å; E17-L36 HydrophobicContact CG-CD1 3.95Å; E17-L36 HydrophobicContact CG-CD2 4.14Å; L18-L36 HydrophobicContact CD2-CB 3.96Å; L18-L36 HydrophobicContact CD2-CD1 4.33Å; L18-L36 HydrophobicContact CG-CB 4.19Å; L18-L36 HydrophobicContact CG-CD1 4.48Å; L32-L36 WeakPolarHBondContact O-CB 3.34Å; L32-L36 PolarHBondContact O-N 2.96Å; L32-L36 VanDerWaalsContact O-N 3.13Å; M33-L36 PolarHBondContact O-N 2.96Å; E34-L36 VanDerWaalsContact C-N 3.33Å; E34-L36 PolarHBondContact O-N 2.93Å; L36-A39 PolarHBondContact O-N 2.94Å; L36-L40 HydrophobicContact CG-CD1 4.23Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.48Å
37K91.4Very high86Confident102 Ų10271 Ų7144%0.44338%0.382SS..Hα-helixtrans-63.7-47.4176.7-177-179.2172.5-72.60111.2M33 E34 A39 L40 E41M33-K37 VanDerWaalsContact O-CB 3.26Å; M33-K37 WeakPolarHBondContact O-CB 3.38Å; M33-K37 PolarHBondContact O-N 2.75Å; E34-K37 PolarHBondContact O-N 2.83Å; K37-A39 VanDerWaalsContact C-N 3.27Å; K37-A39 PolarHBondContact O-N 3Å; K37-L40 PolarHBondContact O-N 2.95Å; K37-L40 VanDerWaalsContact O-N 3.15Å; K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 IonicContact NZ-OE1 2.7Å; K37-E41 PolarHBondContact NZ-OE1 2.97Å; K37-E41 IonicContact NZ-OE2 2.68Å; K37-E41 PolarHBondContact NZ-OE2 2.59Å; K37-E41 WeakPolarHBondContact O-CG 3.49Å; K37-E41 PolarHBondContact O-N 3.29Å
38A91Very high84.3Confident54 Ų5473.7 Ų73.745%0.44639%0.391SS..Hα-helixtrans-60.2-35.6176.700000112.8E34 E41 A42E34-A38 WeakPolarHBondContact O-CB 3.31Å; E34-A38 PolarHBondContact O-N 3.47Å; A38-E41 PolarHBondContact O-N 2.72Å; A38-A42 WeakPolarHBondContact O-CB 3.47Å; A38-A42 PolarHBondContact O-N 3.34Å
39A90.3Very high82.5Confident19 Ų1970.7 Ų70.716%0.15738%0.381CS..Hα-helixtrans-68.3-40.8174.900000112.7L23 R35 L36 K37 E41 A42 E43L23-A39 HydrophobicContact CD1-CB 3.57Å; R35-A39 PolarHBondContact O-N 2.99Å; L36-A39 PolarHBondContact O-N 2.94Å; K37-A39 VanDerWaalsContact C-N 3.27Å; K37-A39 PolarHBondContact O-N 3Å; A39-E41 VanDerWaalsContact C-N 3.3Å; A39-E41 PolarHBondContact O-N 3Å; A39-A42 PolarHBondContact O-N 2.92Å; A39-E43 WeakPolarHBondContact O-CB 3.31Å; A39-E43 WeakPolarHBondContact O-CG 3.32Å; A39-E43 PolarHBondContact O-N 2.72Å
40L89.4Confident80.7Confident45 Ų4575 Ų7524%0.23640%0.402CS..Hα-helixtrans-68.9-28175.7-70.5168.3000112.9V6 L36 K37 A44V6-L40 HydrophobicContact CG2-CD1 3.7Å; L36-L40 HydrophobicContact CG-CD1 4.23Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.48Å; K37-L40 PolarHBondContact O-N 2.95Å; K37-L40 VanDerWaalsContact O-N 3.15Å; L40-A44 PolarHBondContact O-N 3.42Å
41E84.5Confident78.6Confident92 Ų9280.2 Ų80.243%0.4342%0.417SS..Hα-helixtrans-76.6-40.8174.8-73.3171.9147.100111.2K37 A38 A39 A44 E45K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 IonicContact NZ-OE1 2.7Å; K37-E41 PolarHBondContact NZ-OE1 2.97Å; K37-E41 IonicContact NZ-OE2 2.68Å; K37-E41 PolarHBondContact NZ-OE2 2.59Å; K37-E41 WeakPolarHBondContact O-CG 3.49Å; K37-E41 PolarHBondContact O-N 3.29Å; A38-E41 PolarHBondContact O-N 2.72Å; A39-E41 VanDerWaalsContact C-N 3.3Å; A39-E41 PolarHBondContact O-N 3Å; E41-A44 PolarHBondContact O-N 3.36Å; E41-E45 PolarHBondContact O-N 3.18Å
42A85.4Confident76.1Confident47 Ų4783.3 Ų83.339%0.38844%0.438SS..Hα-helixtrans-62.7-41.8171.500000113A38 A39 A44 E45 E46A38-A42 WeakPolarHBondContact O-CB 3.47Å; A38-A42 PolarHBondContact O-N 3.34Å; A39-A42 PolarHBondContact O-N 2.92Å; A42-A44 VanDerWaalsContact C-N 3.25Å; A42-A44 PolarHBondContact O-N 3.05Å; A42-E45 PolarHBondContact O-N 3.16Å; A42-E46 PolarHBondContact O-N 3.21Å
43E84.1Confident73.6Confident76 Ų7686.3 Ų86.336%0.35547%0.469SS..Hα-helixtrans-60.2-34.5174-77.4169.5-170.500112.1R21 A39 E47R21-E43 WeakPolarHBondContact CD-OE1 3.17Å; R21-E43 IonicContact CZ-OE1 2.79Å; R21-E43 IonicContact CZ-OE2 3.91Å; R21-E43 VanDerWaalsContact NE-CD 3.34Å; R21-E43 IonicContact NE-OE1 3.83Å; R21-E43 PolarHBondContact NE-OE1 2.98Å; R21-E43 IonicContact NE-OE2 2.96Å; R21-E43 PolarHBondContact NE-OE2 3.1Å; R21-E43 IonicContact NH2-OE1 3.96Å; R21-E43 PolarHBondContact NH2-OE1 3.24Å; R21-E43 IonicContact NH2-OE2 2.64Å; R21-E43 PolarHBondContact NH2-OE2 2.93Å; A39-E43 WeakPolarHBondContact O-CB 3.31Å; A39-E43 WeakPolarHBondContact O-CG 3.32Å; A39-E43 PolarHBondContact O-N 2.72Å; E43-E47 PolarHBondContact O-N 3.46Å; E43-E47 VanDerWaalsContact O-N 3.16Å
44A80.3Confident70.9Confident49 Ų4992.8 Ų92.841%0.40550%0.499SS..Hα-helixtrans-75.6-36.1176.400000112.8L40 E41 A42 E47 T48L40-A44 PolarHBondContact O-N 3.42Å; E41-A44 PolarHBondContact O-N 3.36Å; A42-A44 VanDerWaalsContact C-N 3.25Å; A42-A44 PolarHBondContact O-N 3.05Å; A44-E47 PolarHBondContact O-N 3.18Å; A44-T48 PolarHBondContact O-N 3.12Å
45E71.9Confident68Low140 Ų14095.7 Ų95.765%0.65451%0.512SS*.Hα-helixtrans-64-43.7173.4-73.7175.6-173.200111E41 A42 T48 S49E41-E45 PolarHBondContact O-N 3.18Å; A42-E45 PolarHBondContact O-N 3.16Å; E45-T48 PolarHBondContact O-N 3.11Å; E45-T48 PolarHBondContact O-OG1 3.09Å; E45-S49 PolarHBondContact O-N 2.9Å; E45-S49 VanDerWaalsContact O-N 3.14Å
46E68.8Low65Low134 Ų134101 Ų10163%0.62654%0.54SS*.Hα-helixtrans-60.3-46.7173.6-71.8-174.3161.400112.3A42 T48 S49 E50A42-E46 PolarHBondContact O-N 3.21Å; E46-T48 PolarHBondContact O-N 3.43Å; E46-S49 PolarHBondContact O-N 3.34Å; E46-S49 PolarHBondContact O-OG 3.07Å; E46-E50 PolarHBondContact O-N 3.18Å
47E62.1Low62.1Low113 Ų113111.2 Ų111.253%0.52858%0.58SS.*Hα-helixtrans-56.4-33.3175.4-82.3-168.5165.300112.6E43 A44E43-E47 PolarHBondContact O-N 3.46Å; E43-E47 VanDerWaalsContact O-N 3.16Å; A44-E47 PolarHBondContact O-N 3.18Å
48T53.6Low59.1Low94 Ų94112.9 Ų112.958%0.57759%0.594SS**Hα-helixtrans-77-25.3174.859.80000114.2A44 E45 E46A44-T48 PolarHBondContact O-N 3.12Å; E45-T48 PolarHBondContact O-N 3.11Å; E45-T48 PolarHBondContact O-OG1 3.09Å; E46-T48 PolarHBondContact O-N 3.43Å
49S53.2Low56.3Low71 Ų71118.9 Ų118.950%0.49761%0.613SS.*Hα-helixtrans-76.6-34.8178.774.40000112.7E45 E46 T52E45-S49 PolarHBondContact O-N 2.9Å; E45-S49 VanDerWaalsContact O-N 3.14Å; E46-S49 PolarHBondContact O-N 3.34Å; E46-S49 PolarHBondContact O-OG 3.07Å; S49-T52 PolarHBondContact O-N 3.44Å; S49-T52 PolarHBondContact O-OG1 2.95Å; S49-T52 VanDerWaalsContact O-OG1 3.1Å
50E50.4Low53.4Low164 Ų164126.3 Ų126.377%0.76664%0.644SS**Hα-helixtrans-73.9-27179.2-66.3-160.3140.800113E46 T52 G53E46-E50 PolarHBondContact O-N 3.18Å; E50-T52 VanDerWaalsContact C-N 3.27Å; E50-T52 PolarHBondContact O-N 3.23Å; E50-G53 PolarHBondContact O-N 3.35Å
51Q43.6Very low50.8Low169 Ų169131.9 Ų131.979%0.7967%0.674SS**THydrogen-bonded Turntrans-74.6-10177.9-71-171.45.800114.7
52T37.8Very low49.4Very low117 Ų117131.9 Ų131.972%0.71868%0.682SS**THydrogen-bonded Turntrans-100.74.1177.546.80000113.6S49 E50S49-T52 PolarHBondContact O-N 3.44Å; S49-T52 PolarHBondContact O-OG1 2.95Å; S49-T52 VanDerWaalsContact O-OG1 3.1Å; E50-T52 VanDerWaalsContact C-N 3.27Å; E50-T52 PolarHBondContact O-N 3.23Å
53G38.6Very low46.8Very low64 Ų64137.7 Ų137.766%0.6670%0.701SS**SBendtrans-91.36.5-178.900000116.7E50E50-G53 PolarHBondContact O-N 3.35Å
54Q35.5Very low44.5Very low182 Ų182142.5 Ų142.585%0.8572%0.724SS**SBendtrans-138.450.1-175.6-71.9-158.9-39.100114.9
55E31.6Very low42.4Very low200 Ų200148.7 Ų148.794%0.93574%0.744SS**  trans-159107.6156.1-114.5158.7-139.700110.3
56E28.7Very low40.6Very low187 Ų187150.6 Ų150.687%0.87475%0.753SS**  trans-135.894.5173.4-175.5-179.9-133.200109.4
57Y31.8Very low38.6Very low217 Ų217152.9 Ų152.985%0.85176%0.764SS**  trans-156.3133.9157.6-97.5-70.7000110.1
58D29.3Very low37.1Very low136 Ų136151.3 Ų151.373%0.72777%0.77SS**  trans67.787.8157.9-53.7-13.9000121.3
59E31.3Very low37.3Very low181 Ų181152.2 Ų152.285%0.84678%0.778SS**  74.3134.5125.1-74.3-175.3151.500125.5
60E29.2Very low36.3Very low175 Ų175154.1 Ų154.182%0.81878%0.783SS**  trans70.998.1148.4-66.6-166.4158.900124.8
61N34.3Very low35.7Very low162 Ų162153 Ų15387%0.86678%0.777SS**  67.4167.8126.7-10316.4000121.8
62P56.1Low35.3Very low92 Ų92152.3 Ų152.360%0.59777%0.774SS**  trans-132.4-139.8-141.842.5-19.9000114.4
63E31.5Very low35Very low169 Ų169155.1 Ų155.179%0.7978%0.779SS**  trans73.6149.7178.2-62.1159-162.800114
64E36Very low34.8Very low176 Ų176158 Ų15882%0.82278%0.78SS**  cis-145.8-177.8-12.9-115.6175.2169.500106
65E35.1Very low34.7Very low180 Ų180157.1 Ų157.184%0.84178%0.775SS**  cis-144.3-132.121.2-162.9174.8-157.700108.7
66E33.7Very low34.8Very low180 Ų180154.5 Ų154.584%0.84177%0.768SS**  trans-120.8-149-179.5-49.9-167143.100112.8
67E27.6Very low35.1Very low181 Ų181155.3 Ų155.385%0.84676%0.764SS**  cis-158.6167.623.9-154.8-178.7-162.200111.9
68A29.7Very low35.1Very low80 Ų80151 Ų15166%0.66176%0.76SS**  trans-127-157.4176.900000109.3
69P57.6Low35Very low114 Ų114148 Ų14874%0.7476%0.761SS**  cis-116.7-120.4-1725.90000110.8
70D33.8Very low35Very low111 Ų111146.6 Ų146.659%0.59476%0.76SS**  cis-161.7148.8-2.7-145.529.6000112.9
71Q37.3Very low35.2Very low140 Ų140145.9 Ų145.965%0.65476%0.761SS**  trans23.1164.5135.5-63.3-179.375.500122.8
72Q34.9Very low34.9Very low154 Ų154141.6 Ų141.672%0.7276%0.756SS**  cis-137.6-1596.9-129.5153.551.700108.4
73E30.9Very low33.7Very low176 Ų176145 Ų14582%0.82277%0.769SS**  cis-150.7-158.411.2-151.1178.5168.700109.3
74D36Very low33.8Very low126 Ų126144.8 Ų144.867%0.67477%0.773SS**  trans-121.2153.2-162.7-90.6-62000118
75Q32.3Very low33.7Very low162 Ų162140.1 Ų140.176%0.75777%0.765SS**  trans45.9149.7137.4-61.7172.570.900121
76D34.8Very low33.4Very low146 Ų146138.5 Ų138.578%0.78177%0.766SS**  -168.4171.462.3-142.6-16.2000116.9
77Y34.3Very low33.3Very low203 Ų203137.3 Ų137.380%0.79677%0.766SS**  trans-26.8134.4-174-107.8-129.9000128.2
78V31.3Very low33.5Very low127 Ų127133.3 Ų133.377%0.7776%0.764SS**  74.3132.8124.6162.80000126.2
79G27Very low33.6Very low72 Ų72137.2 Ų137.274%0.74277%0.774SS**  trans125.4148.4147.700000115.4
80D32.4Very low32.3Very low153 Ų153139.6 Ų139.682%0.81878%0.78SS**  cis-167.2166.7-20.1-163.525.1000108.8
81D32Very low32.4Very low159 Ų159138.3 Ų138.385%0.8579%0.785SS**  trans-16.4150.1-178.5-73.9-19.7000123.4
82G28.3Very low32.1Very low73 Ų73138.7 Ų138.775%0.75380%0.797SS**  trans171.2120.1159.700000117.3
83D32.3Very low32.1Very low164 Ų164139.2 Ų139.288%0.87780%0.804SS**  trans-70.7172.1174.1-51.2-83.7000112.7
84D32Very low32.2Very low164 Ų164135.7 Ų135.788%0.87781%0.806SS**  cis-168-177.945.2-152.2-22.8000111.8
85A33.6Very low32.2Very low78 Ų78137.7 Ų137.765%0.64582%0.816SS**  trans-100.7162-172.700000115.9
86V29.4Very low32.2Very low145 Ų145137.6 Ų137.688%0.87982%0.821SS**  trans-173.2165.2138-95.10000113
87D31.8Very low32.2Very low155 Ų155135 Ų13583%0.82982%0.819SS**  trans-72.2165.1179.3-40.5-98.8000115.8
88A31Very low32.1Very low98 Ų98132 Ų13281%0.8182%0.822SS**  trans-167.9148.9135.700000113
89D33Very low32.3Very low161 Ų161133.8 Ų133.886%0.86183%0.827SS**  trans-75.3167.5171.2-43.7-86.6000112.9
90D30.8Very low32.8Very low165 Ų165134.6 Ų134.688%0.88283%0.827SS**  -162.4165.6122.6-137-24.3000113.4
91A35.1Very low32.7Very low84 Ų84135 Ų13569%0.69483%0.829SS**  trans-149146.4175.700000112.4
92V32Very low32.9Very low148 Ų148134.1 Ų134.190%0.89783%0.825SS**  trans-151.4139.9169.1-92.10000112.4
93D34.5Very low33Very low164 Ų164134.8 Ų134.888%0.87782%0.823SS**  trans-84.6161.7170.3-61.4-66.5000112.5
94A32.4Very low32.7Very low103 Ų103130.9 Ų130.985%0.85182%0.821SS**  trans-158.396.8153.800000111.1
95D36Very low32.5Very low167 Ų167126.7 Ų126.789%0.89382%0.817SS**  trans-79.2149.3157.6-76.3-43.7000109.5
96D33.2Very low32.2Very low161 Ų161131.4 Ų131.486%0.86183%0.831SS**  trans-149.3144.8157.6-151-9.6000110.9
97A33.4Very low32Very low90 Ų90128 Ų12874%0.74483%0.825SS**  trans-152.7145.9-172.600000111.8
98V32.7Very low31.8Very low141 Ų141128.7 Ų128.786%0.85583%0.829SS**  trans-139.4130.5-178-74.40000112.8
99D35.5Very low31.6Very low165 Ų165131.1 Ų131.188%0.88283%0.828SS**  trans-71.8172.5164.9-58.3-70.1000110.8
100A36.8Very low32.3Very low89 Ų89127.6 Ų127.674%0.73681%0.814SS**  cis-140.3-142.514.500000110.9
101D31.9Very low32.2Very low160 Ų160127.6 Ų127.686%0.85681%0.809SS**  cis-155.5-176.913-148.6-19.7000111.8
102D34.3Very low31.8Very low142 Ų142132 Ų13276%0.75982%0.815SS**  trans-96.8163-166.7177.446.2000116.3
103A30.8Very low31.9Very low86 Ų86133.7 Ų133.771%0.71181%0.813SS**  156.699.3126.400000116.7
104G27.5Very low31.6Very low82 Ų82133.7 Ų133.785%0.84581%0.813SS**  trans75.4159.9150.100000119.8
105G26Very low31.5Very low76 Ų76137.6 Ų137.678%0.78481%0.814SS**  cis177.3151.2-7.200000113.5
106D27.2Very low31.1Very low178 Ų178132.9 Ų132.995%0.95280%0.804SS**  trans21.3142.8166.8-78.9-38.6000123.6
107G26.4Very low30.9Very low72 Ų72136.6 Ų136.674%0.74281%0.807SS**  trans153.884.1146.500000120.5
108N26.3Very low30.7Very low170 Ų170139.3 Ų139.391%0.90981%0.808SS**  trans42.6131.6149.7-69.6-4.5000124.1
109N27.4Very low30.6Very low150 Ų150138.2 Ų138.280%0.80281%0.807SS**  trans-128.6168.7147.5-155.619.1000105.1
110P47.6Very low30.2Very low87 Ų87134.3 Ų134.357%0.56581%0.805SS**  cis-140.3179-2.445.2-27.6000116.9
111Q29.1Very low29.7Very low164 Ų164133.3 Ų133.377%0.76680%0.804SS**  trans60.6172137.1-80.5179.9-85.900124.5
112E27.6Very low29.5Very low178 Ų178135.5 Ų135.583%0.83280%0.802SS**  trans77.5114173.9-57.1-179.9-179.100114.1
113E32.7Very low29.4Very low182 Ų182139.3 Ų139.385%0.8581%0.807SS**  cis67.7108.147.6-63.5-173.3-149.700114.5
114D29.9Very low29.4Very low164 Ų164143 Ų14388%0.87781%0.81SS**  trans-158170143.9-152-4.3000111.6
115E29.2Very low29.5Very low185 Ų185147.8 Ų147.886%0.86481%0.81SS**  trans-86.2163.1-161.5-58.7177.1172.700117.3
116G27.8Very low29.7Very low68 Ų68152.8 Ų152.870%0.70181%0.813SS**  138.2118.4123.200000121.2
117R28.6Very low29.9Very low240 Ų240152.9 Ų152.991%0.90681%0.808SS**  trans65.3115146.1-72.3-177.3172.8-174.8-3120.2
118D30.5Very low30Very low146 Ų146154.4 Ų154.478%0.78181%0.813SS**  93142.982-166.318000113.3
119S29.7Very low30.4Very low119 Ų119155.6 Ų155.683%0.83281%0.813SS**  trans61.1152.5-170.173.50000117
120G27.2Very low30.5Very low82 Ų82153.3 Ų153.385%0.84582%0.815SS**  cis161.7129.7-9.300000112.7
121G26.6Very low29.9Very low69 Ų69157.3 Ų157.371%0.71183%0.826SS**  trans134127.9-175.600000109.5
122Y28Very low30.9Very low205 Ų205154.9 Ų154.980%0.80483%0.825SS**  cis54.8106.239.5-76.8-82.6000113.7
123Y30.7Very low31Very low223 Ų223154.9 Ų154.988%0.87582%0.818SS**  -154.1145.396.2-94-76000111
124E30.6Very low31Very low162 Ų162152.8 Ų152.876%0.75781%0.808SS**  trans-108.2151163.7-65166.1119.600107.8
125E30Very low31.3Very low183 Ų183148.3 Ų148.386%0.85579%0.79SS**  trans-178.9106.3156.7-104.8164.4-15300104.8
126E30.9Very low31.7Very low181 Ų181148.8 Ų148.885%0.84678%0.784SS**  82.1147.461.6-77.6-157.6142.900116.2
127E31.8Very low32Very low181 Ų181152 Ų15285%0.84678%0.781SS**  trans-30152.5-172.1-52-174.2147.700121.7
128A28.8Very low32.1Very low103 Ų103146.2 Ų146.285%0.85177%0.772SS**  -161.5130.6124.300000112.5
129E34Very low32.4Very low196 Ų196144 Ų14492%0.91677%0.768SS**  trans-88.7149.6157.9-66.7-169150.600110.6
130A29.1Very low32.4Very low101 Ų101145.2 Ų145.284%0.83577%0.765SS**  trans176.3128.9138.100000114.6
131E34.6Very low32.7Very low172 Ų172146.4 Ų146.480%0.80476%0.761SS**  trans-68.8169.5149.7-81.4-91.4167.900110.3
132P50.8Low32.8Very low113 Ų113146.3 Ų146.373%0.73476%0.759SS**  cis-149.7-177.925.144.3-23.8000119.5
133Y29.1Very low33.2Very low177 Ų177145.9 Ų145.969%0.69477%0.765SS**  trans97.6151.2137.7-161.7-97.1000122
134E32.8Very low33.2Very low138 Ų138146.4 Ų146.465%0.64577%0.765SS**  trans-67-179.3-170.2-49.3-173.8144.600115.8
135S36.9Very low33.2Very low70 Ų70146.7 Ų146.749%0.4977%0.766SS.*  cis-176.315937.885.40000118.6
136R36.7Very low33.3Very low195 Ų195146.4 Ų146.474%0.73677%0.767SS**  trans74152.4147.2-65.4167.3-171.7-114.22.6118.9
137Q34.7Very low33.2Very low137 Ų137145.9 Ų145.964%0.6477%0.765SS**  cis-168.1165.9-10.2-113.4177.7-108.700106.6
138T30.6Very low33Very low117 Ų117147.8 Ų147.872%0.71876%0.764SS**  cis-152.3-1753.9-14.70000105.9
139S36.8Very low32.9Very low100 Ų100148 Ų14870%0.69976%0.759SS**  cis-160.6-172.83.545.60000106.8
140D29.3Very low32.6Very low145 Ų145143.6 Ų143.678%0.77575%0.75SS**  cis-152.6-137.913.5-161.170.5000112.7
141S34.3Very low32.6Very low107 Ų107143.3 Ų143.375%0.74875%0.748SS**  trans-64.8152.4-174.441.30000118
142G29.2Very low32.3Very low66 Ų66141.4 Ų141.468%0.6875%0.747SS**  cis160.5139.1-14.200000116.4
143H34.7Very low31.2Very low197 Ų197140.6 Ų140.691%0.91274%0.744SS**  trans67.3152.9159.4-76.6-33.7000119.9
144R30.9Very low31.2Very low234 Ų234141 Ų14188%0.88375%0.753SS**  cis-164.4163.5-2.6163.5177.5-171.6173.44.7111.4
145E31.9Very low31.3Very low167 Ų167142.9 Ų142.978%0.7876%0.761SS**  trans-81170.9-179.8-55.3176100.300117.5
146M30.6Very low31.1Very low177 Ų177145.5 Ų145.587%0.87277%0.766SS**  trans123.7159.8140.4-83.7-159.1173.100120
147Q29.7Very low31Very low171 Ų171140.7 Ų140.780%0.79976%0.762SS**  trans-86153.2-163-53.9165.3-1000114.9
148R27.4Very low31.1Very low221 Ų221141.5 Ų141.583%0.83476%0.764SS**  150.7151.4119.8-84.9-177.3168.7-143.6-2.2114.7
149S27.2Very low31.1Very low107 Ų107142.6 Ų142.675%0.74876%0.764SS**  trans61.8156.4144.851.30000121.2
150S27.1Very low31.1Very low104 Ų104145 Ų14573%0.72777%0.765SS**  cis-177.8134.2-28.654.40000111.8
151A28.7Very low31.3Very low95 Ų95143.3 Ų143.379%0.78576%0.76SS**  trans60.2176.9159.800000116.8
152V29.3Very low31.1Very low131 Ų131145.1 Ų145.179%0.79476%0.761SS**  cis-145.61575.1-142.60000111.9
153S27.7Very low31.2Very low96 Ų96149 Ų14967%0.67176%0.764SS**  trans16.3141.9147.261.80000125.4
154E30Very low31.1Very low187 Ų187147.8 Ų147.887%0.87476%0.759SS**  -151.2130.2124.9-94.9163.1-163.700104.5
155E33.6Very low31Very low176 Ų176143.4 Ų143.482%0.82275%0.753SS**  69.1137.553.5-69.5-159.8147.100114.4
156E33.5Very low30.8Very low126 Ų126140.1 Ų140.159%0.58975%0.749SS**  cis-154.9145.514.6-141.2-146.4134.700115.1K158E156-K158 IonicContact OE1-NZ 2.59Å; E156-K158 PolarHBondContact OE1-NZ 2.88Å
157S34.2Very low30.7Very low94 Ų94136.5 Ų136.566%0.65775%0.747SS**  trans76.1156.9135.994.40000122.3
158K36.8Very low30.6Very low154 Ų154137.1 Ų137.167%0.6775%0.75SS**  cis-164.1170.2-6.8-126.7163.8-158.5140.30114.6E156E156-K158 IonicContact OE1-NZ 2.59Å; E156-K158 PolarHBondContact OE1-NZ 2.88Å
159L30.8Very low30.6Very low139 Ų139132.3 Ų132.373%0.72875%0.75SS**  trans70.4164.2174.7-85.661.2000115.9
160E35.8Very low30.7Very low152 Ų152134.8 Ų134.871%0.7176%0.755SS**  cis-176.4172.6-46.9-106.8165.5-116.700108.4
161T33.8Very low31.5Very low109 Ų109134.9 Ų134.967%0.66975%0.753SS**  cis-150.1-178.511.4-14.90000112.9
162N31Very low31.4Very low144 Ų144136.8 Ų136.877%0.7776%0.755SS**  trans-46.4168.1172.7-47.1-29.6000117.5
163I30.3Very low31.1Very low147 Ų147134 Ų13475%0.75475%0.753SS**  cis-148.6162.841.7-70.1175.6000113.4
164E32.8Very low31.1Very low173 Ų173139.1 Ų139.181%0.80877%0.766SS**  trans-33.4172.4169.6-48.5153.5150.800118.3
165D30.1Very low31Very low141 Ų141141.5 Ų141.575%0.75477%0.767SS**  cis-161.3159.916.4-157.75.5000115.9
166S27Very low30.7Very low98 Ų98141 Ų14169%0.68577%0.77SS**  trans51.3152.8147.884.90000127.3
167A28.8Very low30.3Very low101 Ų101140.2 Ų140.284%0.83578%0.778SS**  trans96.9144.4142.600000122.2
168Q28Very low30Very low185 Ų185145.4 Ų145.486%0.86479%0.789SS**  trans-101.3148.9-164.1-57.6159-22.800113.7
169S27.1Very low29.6Very low120 Ų120149.2 Ų149.284%0.83980%0.799SS**  163.6152.3119.950.60000115.2
170N28.9Very low29.5Very low158 Ų158148.7 Ų148.785%0.84580%0.804SS**  trans-89.2167.7164.7-85.6-31.3000109.5
171P43.3Very low29.2Very low106 Ų106149.6 Ų149.669%0.68881%0.813SS**  cis-148.9-178.327.339.4-16.4000118.9
172T26.2Very low28.9Very low135 Ų135152.6 Ų152.683%0.82882%0.824SS**  trans57.7103.1148.846.20000121.9
173G24.2Very low28.6Very low73 Ų73157.3 Ų157.375%0.75383%0.831SS**  94117.810100000120.6
174Q26.9Very low28.5Very low204 Ų204161.4 Ų161.495%0.95384%0.837SS**  -168.6168.7126.7-107.2177.749.200112.2
175R28.2Very low28.3Very low237 Ų237160.5 Ų160.589%0.89484%0.836SS**  trans-65.5142.2178.7-67.5170.3166.1179.4-5.6111.8
176L27.3Very low28Very low166 Ų166165 Ų16587%0.86984%0.843SS**  trans-135.3138.6143.4-80.1-178.9000110.8
177S25.5Very low28.2Very low109 Ų109168.9 Ų168.976%0.76286%0.855SS**  trans-113.3132179.655.50000110
178F26.6Very low27.9Very low202 Ų202167.7 Ų167.789%0.88685%0.852SS**  trans-98.6134.1168.5-85.7-92.7000111.1
179R28.3Very low28Very low234 Ų234168.4 Ų168.488%0.88386%0.855SS**  trans-127.9127.4172.3-93.4-175.4165.7-173.2-3.9108.6
180P30.5Very low27.9Very low128 Ų128172 Ų17283%0.83186%0.861SS**  trans-67.5157.5164.1-20.934.7000112.3
181L27.4Very low27.7Very low171 Ų171169.2 Ų169.290%0.89585%0.854SS**  trans-76.2140.2-169.8-68.7119.2000114.2
182L27.6Very low26.9Very low172 Ų172170.7 Ų170.790%0.90186%0.856SS**  trans-115.8112.6158.8-111.9165.8000108.2R184L182-R184 PolarHBondContact O-N 3.47Å
183R26.3Very low26.9Very low244 Ų244171.8 Ų171.892%0.92186%0.856SS**  trans-74.8117.9176-83.8-173.5172.7-178.1-1.3110.2
184R26.9Very low27.8Very low232 Ų232173.6 Ų173.688%0.87585%0.854SS**  trans-126.1122.4165.7179-179.9-75.1-177.1-4.6108.2L182L182-R184 PolarHBondContact O-N 3.47Å
185I28.7Very low27.7Very low155 Ų155170.4 Ų170.480%0.79584%0.839SS**  trans-87.9129.4178.1-60.4173.9000109.3
186R24.8Very low27.5Very low236 Ų236164.7 Ų164.789%0.89183%0.83SS**  trans-141.8149.6150.6-82.7-164.3176.1178.7-1.1108.6
187L29.7Very low27.4Very low179 Ų179165.4 Ų165.494%0.93782%0.822SS**  trans-76.9149.6176.8-68.3159.2000110.5
188G24.1Very low27.3Very low75 Ų75168.2 Ų168.277%0.77383%0.827SS**  trans-170.8135.1173.200000108.6
189E28.7Very low27.2Very low201 Ų201164.7 Ų164.794%0.93982%0.817SS**  trans-80.5151.7-174-60.1162.611400111.9
190M25.7Very low27.1Very low196 Ų196162.4 Ų162.497%0.96681%0.813SS**  trans-156.3151.6147.4-126.5171.617600111.5
191S24.8Very low26.9Very low98 Ų98163.6 Ų163.669%0.68581%0.811SS**  trans-112156.7-17942.90000110.9
192D27Very low26.8Very low137 Ų137159.7 Ų159.773%0.73380%0.798SS**  166.9109.3125.5-84.9-15.1000113.3
193L26.6Very low26.7Very low159 Ų159158.8 Ų158.883%0.83279%0.794SS**  47.5171.8126.8-65.6171000121.7
194P41.3Very low26.6Very low110 Ų110155.7 Ų155.771%0.71479%0.79SS**  cis-132.21730.142.5-26.7000117.4
195E25.2Very low28.1Very low137 Ų137149.9 Ų149.964%0.6478%0.782SS**  trans36.3158.9152-81.8-162109.800122.8R197E195-R197 IonicContact OE1-CZ 3.05Å; E195-R197 IonicContact OE1-NE 2.71Å; E195-R197 PolarHBondContact OE1-NE 2.8Å; E195-R197 IonicContact OE1-NH2 3.77Å; E195-R197 PolarHBondContact OE1-NH2 3.09Å
196V24Very low28Very low117 Ų117151 Ų15171%0.70978%0.784SS**  cis-147.5127.728.6-178.70000113.9
197R26.1Very low28.2Very low182 Ų182143.9 Ų143.969%0.68777%0.771SS**  trans24.2137.4143.2-45.8166.3-158.9-178.74124.9E195E195-R197 IonicContact OE1-CZ 3.05Å; E195-R197 IonicContact OE1-NE 2.71Å; E195-R197 PolarHBondContact OE1-NE 2.8Å; E195-R197 IonicContact OE1-NH2 3.77Å; E195-R197 PolarHBondContact OE1-NH2 3.09Å
198L23.6Very low28.1Very low168 Ų168142.5 Ų142.588%0.8876%0.764SS**  trans-170.498.5132.8-104.4145.2000108.8
199L24.5Very low28.5Very low127 Ų127145.6 Ų145.667%0.66576%0.762SS**  80.792.475.2-75.9176.5000118.5
200K26.2Very low28.5Very low187 Ų187141.9 Ų141.981%0.81374%0.744SS**  trans66.2155.4141.3-55.3-176.5179.2-175.30118
201I25.2Very low28.9Very low152 Ų152139.4 Ų139.478%0.77973%0.734SS**  cis-149.913438.9-69.2170.8000107.4
202S25.3Very low29Very low89 Ų89141 Ų14162%0.62273%0.728SS**  71.4138.374.2131.80000114.5
203D27Very low29.1Very low153 Ų153139.8 Ų139.882%0.81873%0.726SS**  cis-152.7-155-2.5-80.4-42.4000112.4
204Q24Very low29Very low179 Ų179140.7 Ų140.784%0.83672%0.723SS**  trans-102.3-163.2-179.4-46.8-176.4-1000113.4
205P57.2Low28.5Very low110 Ų110142.4 Ų142.471%0.71473%0.725SS**  cis-130.1179.3-40.227.7-6.8000113.9
206E27.6Very low28.6Very low178 Ų178143.3 Ų143.383%0.83273%0.727SS**  trans179.7141.3143.2-99.6-179.5-163.700109.4
207S27.8Very low28.9Very low88 Ų88143.3 Ų143.362%0.61573%0.727SS**  78.1136.462.5108.90000113.3
208L27.8Very low29.2Very low149 Ų149139.8 Ų139.878%0.7872%0.718SS**  cis-149.8178.35.3-74.1175.4000107.6
209L32.4Very low29.5Very low141 Ų141138.3 Ų138.374%0.73871%0.711SS**  cis-168.5161.9-9.8-106.8164.8000105.6
210E30.1Very low29.8Very low122 Ų122141 Ų14157%0.5772%0.721SS**  cis-130.6-98-8.2-168.5-167.7163.800110.4K212E210-K212 VanDerWaalsContact OE1-CE 3.3Å; E210-K212 WeakPolarHBondContact OE1-CE 3.26Å; E210-K212 WeakPolarHBondContact OE1-CG 3.4Å; E210-K212 IonicContact OE1-NZ 3.21Å; E210-K212 PolarHBondContact OE1-NZ 2.77Å; E210-K212 IonicContact OE2-NZ 3.02Å; E210-K212 PolarHBondContact OE2-NZ 3.07Å
211I32.3Very low30Very low145 Ų145135.6 Ų135.674%0.74471%0.711SS**  cis-161.4144.9-21.5-150.1163.3000106.8
212K28.7Very low30.1Very low131 Ų131136.8 Ų136.857%0.5771%0.713SS**  cis-156.1143.4-32.5-113.3-173171.977.40109.1E210E210-K212 VanDerWaalsContact OE1-CE 3.3Å; E210-K212 WeakPolarHBondContact OE1-CE 3.26Å; E210-K212 WeakPolarHBondContact OE1-CG 3.4Å; E210-K212 IonicContact OE1-NZ 3.21Å; E210-K212 PolarHBondContact OE1-NZ 2.77Å; E210-K212 IonicContact OE2-NZ 3.02Å; E210-K212 PolarHBondContact OE2-NZ 3.07Å
213T27.3Very low31.1Very low111 Ų111136.9 Ų136.968%0.68171%0.711SS**  trans65.3145.1156.258.10000120.6
214K25.3Very low31.2Very low178 Ų178136.4 Ų136.477%0.77471%0.714SS**  cis-153.2142.6-1.4-102.6150.7-177.4178.90107.5
215I30.5Very low31.3Very low147 Ų147130.9 Ų130.975%0.75470%0.704SS**  78.2129.150.2-64.9168000112.1
216K28Very low29.9Very low156 Ų156130.1 Ų130.168%0.67871%0.708SS**  cis-130.5-160.65.3-134.9168.1-179.7-129.40109.1E218K216-E218 WeakPolarHBondContact CD-OE2 3.41Å; K216-E218 VanDerWaalsContact CE-CD 3.43Å; K216-E218 WeakPolarHBondContact CE-OE1 3.48Å; K216-E218 WeakPolarHBondContact CE-OE2 3.49Å; K216-E218 WeakPolarHBondContact CG-OE2 3.43Å; K216-E218 IonicContact NZ-OE1 2.74Å; K216-E218 PolarHBondContact NZ-OE1 2.95Å; K216-E218 IonicContact NZ-OE2 3.82Å; K216-E218 PolarHBondContact NZ-OE2 2.86Å
217T29.7Very low30Very low117 Ų117129 Ų12972%0.71870%0.702SS**  cis-143.6173.315.544.20000109
218E32Very low30.1Very low107 Ų107131.3 Ų131.350%0.570%0.704SS.*  cis83.2131.923.8-58.9164.2154.400113.9K216K216-E218 WeakPolarHBondContact CD-OE2 3.41Å; K216-E218 VanDerWaalsContact CE-CD 3.43Å; K216-E218 WeakPolarHBondContact CE-OE1 3.48Å; K216-E218 WeakPolarHBondContact CE-OE2 3.49Å; K216-E218 WeakPolarHBondContact CG-OE2 3.43Å; K216-E218 IonicContact NZ-OE1 2.74Å; K216-E218 PolarHBondContact NZ-OE1 2.95Å; K216-E218 IonicContact NZ-OE2 3.82Å; K216-E218 PolarHBondContact NZ-OE2 2.86Å
219D30.6Very low30.1Very low137 Ų137131 Ų13173%0.73370%0.698SS**  cis-146.8151.61.2-79.1-30.5000109.8
220E31.1Very low29.7Very low185 Ų185132.6 Ų132.686%0.86470%0.702SS**  72.6139.957.5-66.6-131.2170.400115.9
221A30.3Very low29.6Very low73 Ų73130.7 Ų130.760%0.60371%0.707SS**  cis-170.8165.6-13.700000113.2
222E27.6Very low29.3Very low177 Ų177131.4 Ų131.483%0.82771%0.707SS**  trans64.4175.4146.2-71.8-84.298.300120.9
223P46.4Very low29.1Very low90 Ų90132.7 Ų132.758%0.58472%0.715SS**  -144.5-175.8-52.443-26.4000117.8
224V27.8Very low29.1Very low144 Ų144131.1 Ų131.187%0.87371%0.713SS**  trans66.5141.7162.3-170.30000118.1
225G27Very low29.1Very low62 Ų62130.9 Ų130.964%0.63972%0.715SS**  cis149.3166.1-6.400000113.2
226A28.5Very low28.9Very low95 Ų95133 Ų13379%0.78572%0.722SS**  trans64.6153.9172.500000117.5
227E29.2Very low28.9Very low153 Ų153134.8 Ų134.872%0.71573%0.732SS**  cis-165.8148.5-14.1-114-172.8131.800110
228Q28.9Very low28.7Very low138 Ų138132.3 Ų132.365%0.64573%0.73SS**  trans58.5164.3151.2-58.8179.334.400118
229Q27.6Very low28.4Very low141 Ų141136.6 Ų136.666%0.65975%0.75SS**  cis-154.9137.9-20.1-117.9168.2-1.500109.4
230E25.2Very low28.2Very low175 Ų175134 Ų13482%0.81875%0.748SS**  trans43.5170.2132.3-71.3-176.313600125.3
231A26.7Very low27.9Very low82 Ų82133.9 Ų133.968%0.67875%0.747SS**  trans69.1126.2-17000000115.1
232Q26.1Very low27.8Very low161 Ų161135.5 Ų135.575%0.75275%0.749SS**  70.813650.5-63.7176.2-75.900112.4
233E25.6Very low27.7Very low158 Ų158135.7 Ų135.774%0.73875%0.747SS**  cis-160.5-177.58.7-136.5161-13900112.6
234A26.5Very low26.7Very low78 Ų78137 Ų13765%0.64575%0.754SS**  trans49114.9155.200000119.8
235E26.1Very low26.8Very low172 Ų172138.9 Ų138.980%0.80475%0.753SS**  55.1119.385.3-68.8-157.1139.800116.9
236Q26.8Very low26.9Very low193 Ų193142.7 Ų142.790%0.90276%0.759SS**  -172.7179.8108.2-101.8-177.424.100113.7
237Q26.6Very low26.8Very low192 Ų192144 Ų14490%0.89776%0.763SS**  trans-117.2159.7-162.5-56.2173.4300113.8
238G26.1Very low26.8Very low65 Ų65146.5 Ų146.567%0.6777%0.771SS**  trans158.1127.1168.900000110
239Q25.2Very low26.8Very low197 Ų197143.8 Ų143.892%0.92178%0.78SS**  cis62.1127.438.5-62-163.715.400113.7
240A26.9Very low26.9Very low83 Ų83140.9 Ų140.969%0.68679%0.788SS**  cis-163.4-179.7-5.700000112.3
241E25.3Very low27Very low182 Ų182140.3 Ų140.385%0.8579%0.79SS**  trans67.8158.7154.4-71.5-157.9150.700121
242V27.4Very low27Very low107 Ų107141.1 Ų141.165%0.64879%0.791SS**  cis-170.6175.4-38.9106.50000109.7
243K25.8Very low27.3Very low181 Ų181145.3 Ų145.379%0.78780%0.8SS**  trans73.5147.5168.9-85153.2-172.1167.20117.8
244T26.2Very low27.6Very low118 Ų118147.5 Ų147.572%0.72481%0.807SS**  cis-157.8-158-22.613.60000106.9
245E28.3Very low27.7Very low183 Ų183155.7 Ų155.786%0.85582%0.821SS**  cis-140.9-113.513-67.8178.7169.500112.4
246D29.8Very low28Very low142 Ų142153 Ų15376%0.75982%0.819SS**  trans-142.3145.2-151.6-111.6-41.3000114.6
247S27.6Very low28Very low123 Ų123151.7 Ų151.786%0.8681%0.813SS**  178152124.6-84.40000115.7
248K28.7Very low28.2Very low206 Ų206149.9 Ų149.990%0.89680%0.804SS**  trans-90.9152.3-158.2-63.1157.6-179.21630115.8
249G29.1Very low28.2Very low80 Ų80154.6 Ų154.683%0.82581%0.808SS**  trans-179.5108.1160.300000115
250G28.4Very low28.2Very low80 Ų80150.5 Ų150.583%0.82579%0.793SS**  trans-84.2169.9169.800000112.5
251N27.5Very low28.4Very low163 Ų163157.1 Ų157.187%0.87280%0.8SS**  cis-153.8-179.221.8-1634000111.5
252S28.2Very low28.5Very low100 Ų100154.5 Ų154.570%0.69980%0.802SS**  trans79.979.5169.6-53.40000118.1
253R32.1Very low28.7Very low249 Ų249159.3 Ų159.394%0.9481%0.81SS**  trans-152.7162.2152.2-109.1160.4-159.4-166.84.4112
254K30.8Very low28.8Very low204 Ų204154.3 Ų154.389%0.88781%0.81SS**PPolyproline II helixtrans-63.3135.3-176.4-59.4173.7-178.6177.50110.6P256K254-P256 WeakPolarHBondContact O-CD 3.26Å
255R28.1Very low29.2Very low249 Ų249158.1 Ų158.194%0.9481%0.812SS**PPolyproline II helixtrans-88.6125.6174.6-72.9-175.1175-170.8-2.9112
256P34.1Very low29.4Very low117 Ų117160 Ų16076%0.7681%0.813SS**PPolyproline II helixtrans-92.9172.2144.236.5-30.8000111.4K254K254-P256 WeakPolarHBondContact O-CD 3.26Å
257H26.1Very low29.7Very low165 Ų165162 Ų16276%0.76482%0.818SS**  trans80.1169163.1-142.323.8000119
258E30.4Very low30Very low154 Ų154165.9 Ų165.972%0.7282%0.822SS**  trans-46.4158.6-160-82162.4-156.800118.6
259E25.5Very low30.2Very low163 Ų163166.9 Ų166.976%0.76282%0.82SS**  -151.1151.852.7-101.2-160109.300117.6
260N25.6Very low30.7Very low112 Ų112168.5 Ų168.560%0.59981%0.806SS**  trans41.6136138.8-106.2-44.5000124.2
261R31.1Very low30.9Very low222 Ų222173.3 Ų173.384%0.83881%0.807SS**  trans69.5101.1150.7-60.3170.9-170.7175.11.5119.9
262S27.3Very low31.4Very low126 Ų126175.8 Ų175.888%0.88181%0.81SS**  -143.9131.5118.2-165.30000112.4
263Y32.5Very low31.8Very low209 Ų209175 Ų17582%0.8281%0.805SS**  trans-73.8115.4-167.8-146.2-121.3000112Y265Y263-Y265 HydrophobicContact CD1-CD2 4.18Å; Y263-Y265 AromaticContact CE1-CD2 3.93Å; Y263-Y265 HydrophobicContact CE1-CD2 3.93Å; Y263-Y265 HydrophobicContact CE1-CE2 4.45Å
264G28.1Very low32.3Very low76 Ų76171.6 Ų171.678%0.78479%0.792SS**  trans-99.799.7174.900000112Y266G264-Y266 PolarHBondContact O-N 3.16Å; G264-Y266 VanDerWaalsContact O-N 3.09Å
265Y33.8Very low32.9Very low198 Ų198165.4 Ų165.478%0.77678%0.775SS**THydrogen-bonded Turntrans-87.158.7-160.5-169.8-101.7000114.9Y263Y263-Y265 HydrophobicContact CD1-CD2 4.18Å; Y263-Y265 AromaticContact CE1-CD2 3.93Å; Y263-Y265 HydrophobicContact CE1-CD2 3.93Å; Y263-Y265 HydrophobicContact CE1-CE2 4.45Å
266Y33.3Very low33.6Very low221 Ų221163.3 Ų163.387%0.86777%0.767SS**THydrogen-bonded Turntrans-147.2-4.6-180-113.5-76.4000121.6G264G264-Y266 PolarHBondContact O-N 3.16Å; G264-Y266 VanDerWaalsContact O-N 3.09Å
267E34.8Very low33.9Very low186 Ų186162.8 Ų162.887%0.86976%0.762SS**SBendtrans-97.5-15.3-173.9-70.2-173.2142.400116.6R269E267-R269 PolarHBondContact O-N 2.83Å
268H33.6Very low34.5Very low204 Ų204160.5 Ų160.594%0.94476%0.761SS**SBendtrans-96.729.8-173.3-83.8-34.3000116.5
269R34.8Very low35.2Very low227 Ų227158.2 Ų158.286%0.85775%0.751SS**SBendtrans-124.6-4.2-175.6-140.7-163.9163.8169.3-3.3119.2E267E267-R269 PolarHBondContact O-N 2.83Å
270E37.8Very low36.2Very low114 Ų114154 Ų15453%0.53374%0.737SS.*SBendtrans-126.1-0.9-173.5-68.3-140.3133.900118.2R274E270-R274 IonicContact OE1-CZ 3.79Å; E270-R274 IonicContact OE1-NH1 3.95Å; E270-R274 IonicContact OE1-NH2 2.93Å; E270-R274 PolarHBondContact OE1-NH2 3.29Å; E270-R274 IonicContact OE2-CZ 3.2Å; E270-R274 IonicContact OE2-NH1 2.7Å; E270-R274 PolarHBondContact OE2-NH1 2.66Å; E270-R274 IonicContact OE2-NH2 2.83Å; E270-R274 PolarHBondContact OE2-NH2 2.82Å
271E33.7Very low37.2Very low181 Ų181153.9 Ų153.985%0.84674%0.743SS**SBendtrans-90.4-28.2178.3-64.3-162.9134.700114.6S273E271-S273 PolarHBondContact O-N 2.95Å
272K37.8Very low38Very low214 Ų214147.9 Ų147.993%0.9374%0.741SS**THydrogen-bonded Turntrans-76.10.9-178-97.3-178.5176.31770115.3
273S37.5Very low39.3Very low85 Ų85144.5 Ų144.559%0.59471%0.711SS**THydrogen-bonded Turntrans-129-6.8-167.752.30000116.2E271E271-S273 PolarHBondContact O-N 2.95Å
274R42Very low40Very low176 Ų176141.4 Ų141.466%0.66471%0.708SS**SBendtrans-107.82.8-179.3-66.4-167.4178.9114.35.5115.3E270E270-R274 IonicContact OE1-CZ 3.79Å; E270-R274 IonicContact OE1-NH1 3.95Å; E270-R274 IonicContact OE1-NH2 2.93Å; E270-R274 PolarHBondContact OE1-NH2 3.29Å; E270-R274 IonicContact OE2-CZ 3.2Å; E270-R274 IonicContact OE2-NH1 2.7Å; E270-R274 PolarHBondContact OE2-NH1 2.66Å; E270-R274 IonicContact OE2-NH2 2.83Å; E270-R274 PolarHBondContact OE2-NH2 2.82Å
275S42.3Very low41.2Very low75 Ų75145.7 Ų145.752%0.52471%0.708SS.*SBendtrans-107.4-19.5-172.8510000114.9T277S275-T277 PolarHBondContact O-N 3.34Å
276R43.1Very low42.3Very low204 Ų204140.7 Ų140.777%0.7769%0.692SS**  trans-8092.4168.3-86.4-175.9167.6176.6-5.7110.3
277T41.7Very low43.4Very low107 Ų107136 Ų13666%0.65668%0.678SS**PPolyproline II helixtrans-46.5138.1137.2-50.50000107.1S275 Q279S275-T277 PolarHBondContact O-N 3.34Å; T277-Q279 PolarHBondContact O-N 2.77Å
278P37.3Very low44.6Very low116 Ų116135.3 Ų135.375%0.75368%0.68SS**PPolyproline II helixtrans-50.9122.6172-25.234.2000108.4
279Q46.6Very low46.2Very low107 Ų107127.6 Ų127.650%0.565%0.647SS.*PPolyproline II helixtrans-54.8135.7166.4-84.2175-34.300105.9T277 E605T277-Q279 PolarHBondContact O-N 2.77Å; Q279-E605 PolarHBondContact NE2-OE2 3.36Å
280P46.3Very low48.1Very low74 Ų74121 Ų12148%0.48163%0.629SS.*PPolyproline II helixtrans-52.3147.3172.225.3-33.6000107.7A282P280-A282 PolarHBondContact O-N 2.75Å
281P44.8Very low50.1Low110 Ų110119.3 Ų119.371%0.71462%0.624SS**  trans-44139.2179.7-30.235.6000110.7E283P281-E283 PolarHBondContact O-N 3.28Å
282A49.2Very low52.3Low96 Ų96112.5 Ų112.579%0.79360%0.596SS**  trans-46.1143.217700000109.1P280 D284P280-A282 PolarHBondContact O-N 2.75Å; A282-D284 PolarHBondContact O-N 3.34Å
283E53.9Low54.6Low55 Ų55105.8 Ų105.826%0.25757%0.569SS.*  trans-49.4136-174.5-47.3-161.3121.300109.1P281 E285 K501 R582P281-E283 PolarHBondContact O-N 3.28Å; E283-E285 VanDerWaalsContact C-N 3.27Å; E283-E285 PolarHBondContact O-N 2.69Å; E283-K501 VanDerWaalsContact CD-NZ 3.34Å; E283-K501 WeakPolarHBondContact OE1-CE 3.49Å; E283-K501 IonicContact OE1-NZ 2.72Å; E283-K501 PolarHBondContact OE1-NZ 2.83Å; E283-K501 VanDerWaalsContact OE2-CE 3.27Å; E283-K501 WeakPolarHBondContact OE2-CE 3.41Å; E283-K501 IonicContact OE2-NZ 3.39Å; E283-R582 IonicContact OE2-CZ 3.85Å; E283-R582 IonicContact OE2-NE 2.98Å; E283-R582 PolarHBondContact OE2-NE 3.22Å; E283-R582 IonicContact OE2-NH2 2.72Å; E283-R582 PolarHBondContact OE2-NH2 3.36Å
284D47.6Very low57.2Low143 Ų143101.7 Ų101.777%0.76554%0.54SS*.  trans-52.5108.9150.1-64.4-71000103.8A282 E286A282-D284 PolarHBondContact O-N 3.34Å; D284-E286 PolarHBondContact O-N 3.14Å; D284-E286 VanDerWaalsContact O-N 3.08Å
285E53.6Low59.7Low166 Ų16693.4 Ų93.478%0.77651%0.509SS*.  trans-54.6122.9-179.2-65.2-173.7149.900106.1E283 E287E283-E285 VanDerWaalsContact C-N 3.27Å; E283-E285 PolarHBondContact O-N 2.69Å; E285-E287 VanDerWaalsContact C-N 3.3Å; E285-E287 PolarHBondContact O-N 2.97Å
286E57.2Low62.2Low93 Ų9390 Ų9044%0.43549%0.485SS..  trans-59.4102.5177.4-82.8-168106.500106.6D284 N288 T298D284-E286 PolarHBondContact O-N 3.14Å; D284-E286 VanDerWaalsContact O-N 3.08Å; E286-N288 PolarHBondContact O-N 3.48Å; E286-T298 VanDerWaalsContact OE1-CB 3.26Å; E286-T298 WeakPolarHBondContact OE1-CB 3.46Å; E286-T298 PolarHBondContact OE1-OG1 3.05Å
287E56.1Low64.5Low123 Ų12380.8 Ų80.858%0.57545%0.451SS*.  trans-53.6132.4-167.2-68.4178-179.100108.4E285 V289E285-E287 VanDerWaalsContact C-N 3.3Å; E285-E287 PolarHBondContact O-N 2.97Å; E287-V289 HydrophobicContact CB-CG2 4.36Å; E287-V289 PolarHBondContact O-N 2.85Å
288N59.3Low66.9Low172 Ų17277.4 Ų77.492%0.9243%0.43SS*.  trans-70.664.6-179.8-73.2-59.6000110.1E286E286-N288 PolarHBondContact O-N 3.48Å
289V66.9Low69.4Low42 Ų4273 Ų7326%0.25540%0.399SS..  trans-63.7133.4173173.50000107.8E287 D291 M293 T295E287-V289 HydrophobicContact CB-CG2 4.36Å; E287-V289 PolarHBondContact O-N 2.85Å; V289-D291 PolarHBondContact O-N 2.9Å; V289-M293 HydrophobicContact CG1-CB 4.42Å; V289-M293 HydrophobicContact CG1-SD 4.45Å; V289-T295 HydrophobicContact CG1-CG2 4.22Å
290D75.6Confident71.6Confident89 Ų8968.3 Ų68.348%0.47638%0.377SS..  trans-49.4128.3-179.4-176.22.3000111.6S292 M293D290-S292 PolarHBondContact O-N 2.76Å; D290-S292 VanDerWaalsContact O-N 3.16Å; D290-S292 WeakPolarHBondContact OD1-CB 3.36Å; D290-S292 PolarHBondContact OD1-N 2.77Å; D290-S292 PolarHBondContact OD1-OG 3.49Å; D290-S292 VanDerWaalsContact OD2-CB 3.32Å; D290-S292 WeakPolarHBondContact OD2-CB 3.36Å; D290-S292 PolarHBondContact OD2-OG 2.83Å; D290-M293 HydrophobicContact CB-CG 4.27Å; D290-M293 PolarHBondContact O-N 2.84Å
291D79.4Confident73.8Confident78 Ų7864.9 Ų64.942%0.41736%0.355SS..THydrogen-bonded Turntrans-63.8-15.9176.5-89.9-38.7000112.5V289 M293 H333 R493 K496V289-D291 PolarHBondContact O-N 2.9Å; D291-M293 VanDerWaalsContact C-N 3.26Å; D291-M293 PolarHBondContact O-N 3.28Å; D291-H333 PolarHBondContact O-CE1 3.12Å; D291-H333 PolarHBondContact O-NE2 2.87Å; D291-R493 PolarHBondContact O-NH1 3.25Å; D291-R493 IonicContact OD1-CZ 3.69Å; D291-R493 IonicContact OD1-NE 3.5Å; D291-R493 IonicContact OD1-NH1 3.83Å; D291-R493 PolarHBondContact OD1-NH1 2.62Å; D291-R493 IonicContact OD1-NH2 2.96Å; D291-R493 PolarHBondContact OD1-NH2 2.87Å; D291-K496 IonicContact OD1-NZ 2.65Å; D291-K496 PolarHBondContact OD1-NZ 2.84Å; D291-K496 IonicContact OD2-NZ 3.3Å; D291-K496 PolarHBondContact OD2-NZ 2.86Å
292S80.4Confident76.2Confident37 Ų3760.1 Ų60.126%0.25932%0.324SS..THydrogen-bonded Turntrans-65.3-26.5171.487.60000113.6D290D290-S292 PolarHBondContact O-N 2.76Å; D290-S292 VanDerWaalsContact O-N 3.16Å; D290-S292 WeakPolarHBondContact OD1-CB 3.36Å; D290-S292 PolarHBondContact OD1-N 2.77Å; D290-S292 PolarHBondContact OD1-OG 3.49Å; D290-S292 VanDerWaalsContact OD2-CB 3.32Å; D290-S292 WeakPolarHBondContact OD2-CB 3.36Å; D290-S292 PolarHBondContact OD2-OG 2.83Å
293M85.8Confident78.4Confident73 Ų7356 Ų5636%0.3629%0.288SS..SBendtrans-85.2133.5-170.2-68.1-169.7179.400112.7V289 D290 D291 T295 T332 H333V289-M293 HydrophobicContact CG1-CB 4.42Å; V289-M293 HydrophobicContact CG1-SD 4.45Å; D290-M293 HydrophobicContact CB-CG 4.27Å; D290-M293 PolarHBondContact O-N 2.84Å; D291-M293 VanDerWaalsContact C-N 3.26Å; D291-M293 PolarHBondContact O-N 3.28Å; M293-T295 HydrophobicContact CB-CG2 4.12Å; M293-T295 PolarHBondContact O-N 3.3Å; M293-T332 PolarHBondContact O-OG1 3.47Å; M293-H333 PolarHBondContact O-CE1 3.13Å
294V91.6Very high80.3Confident0 Ų053.6 Ų53.60%028%0.277CS..  trans-85.985.3176.3-1760000108.7Y312 A331 H333 F466 F483 K491V294-Y312 WeakPolarHBondContact O-CE1 3.46Å; V294-A331 HydrophobicContact CG1-CB 4.45Å; V294-H333 HydrophobicContact CG2-CB 4.49Å; V294-F466 HydrophobicContact CB-CB 4.37Å; V294-F466 HydrophobicContact CB-CG 4.47Å; V294-F466 HydrophobicContact CG1-CB 4.09Å; V294-F466 HydrophobicContact CG1-CD1 3.97Å; V294-F466 HydrophobicContact CG1-CD2 4.19Å; V294-F466 HydrophobicContact CG1-CE1 4.5Å; V294-F466 HydrophobicContact CG1-CG 3.81Å; V294-F466 WeakPolarHBondContact O-CD2 3.43Å; V294-F483 HydrophobicContact CB-CD1 4.26Å; V294-F483 HydrophobicContact CG1-CD1 3.55Å; V294-F483 HydrophobicContact CG1-CE1 3.96Å; V294-F483 HydrophobicContact CG1-CG 4.26Å; V294-F483 HydrophobicContact CG2-CD1 3.78Å; V294-F483 HydrophobicContact CG2-CE1 4.18Å; V294-K491 HydrophobicContact CG2-CD 4.26Å
295T94Very high82.6Confident2 Ų246.8 Ų46.81%0.01224%0.241CC..  trans-104.8169.5174.976.10000112.1V289 M293 R311 Y312 A331 T332V289-T295 HydrophobicContact CG1-CG2 4.22Å; M293-T295 HydrophobicContact CB-CG2 4.12Å; M293-T295 PolarHBondContact O-N 3.3Å; T295-R311 WeakPolarHBondContact CB-O 3.08Å; T295-R311 HydrophobicContact CG2-CB 4.14Å; T295-R311 PolarHBondContact OG1-NE 3.28Å; T295-R311 VanDerWaalsContact OG1-NE 3.14Å; T295-R311 PolarHBondContact OG1-NH2 3Å; T295-Y312 HydrophobicContact CG2-CE1 4.2Å; T295-A331 CarbonylContact O-C 3.46Å; T295-A331 WeakPolarHBondContact O-CA 3.42Å; T295-T332 PolarHBondContact N-OG1 2.93Å; T295-T332 VanDerWaalsContact N-OG1 3.12Å; T295-T332 WeakPolarHBondContact O-CG2 2.8Å; T295-T332 PolarHBondContact O-N 3.19Å; T295-T332 PolarHBondContact O-OG1 3.26Å
296I94.9Very high84.6Confident3 Ų343.9 Ų43.92%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-55.4141.9158.4-55.9167.3000108.6F305 V307 R311 A329 F464I296-F305 HydrophobicContact CG2-CE1 4.36Å; I296-V307 HydrophobicContact CB-CG1 4.16Å; I296-V307 HydrophobicContact CD1-CG1 4.34Å; I296-V307 HydrophobicContact CG2-CG1 4.3Å; I296-V307 HydrophobicContact CG2-CG2 3.83Å; I296-R311 WeakPolarHBondContact CB-O 3.41Å; I296-R311 VanDerWaalsContact CG1-O 3.3Å; I296-R311 WeakPolarHBondContact CG1-O 3.29Å; I296-R311 PolarHBondContact N-O 3.22Å; I296-A329 HydrophobicContact CG2-CB 4.03Å; I296-F464 HydrophobicContact CD1-CD2 3.83Å; I296-F464 HydrophobicContact CD1-CE2 4.15Å; I296-F464 HydrophobicContact CG1-CD2 4.04Å; I296-F464 HydrophobicContact CG1-CE2 4.47Å
297D92.8Very high86.3Confident11 Ų1140.8 Ų40.86%0.05921%0.213CC..EExtended strand (participates in β ladder)trans-93.4120.1-177-168.8-40.7000111.5Y299 N300 C301 R330 T332D297-Y299 VanDerWaalsContact C-N 3.27Å; D297-Y299 PolarHBondContact O-N 2.9Å; D297-Y299 VanDerWaalsContact OD1-CA 3.31Å; D297-Y299 WeakPolarHBondContact OD1-CA 3.35Å; D297-Y299 VanDerWaalsContact OD1-CB 3.29Å; D297-Y299 WeakPolarHBondContact OD1-CB 3.27Å; D297-Y299 PolarHBondContact OD1-N 2.77Å; D297-N300 HydrophobicContact CB-CB 4.02Å; D297-N300 PolarHBondContact OD1-N 2.77Å; D297-N300 PolarHBondContact OD2-ND2 3.45Å; D297-C301 WeakPolarHBondContact O-CB 3.3Å; D297-C301 PolarHBondContact O-SG 3.15Å; D297-R330 WeakPolarHBondContact CB-O 3.35Å; D297-R330 PolarHBondContact N-O 3.08Å; D297-T332 HydrophobicContact CB-CG2 3.92Å
298T90.7Very high88.1Confident35 Ų3536.4 Ų36.422%0.21520%0.196CC..EExtended strand (participates in β ladder)trans-74.5-14.2179.1590000113.5E286 C301 R583E286-T298 VanDerWaalsContact OE1-CB 3.26Å; E286-T298 WeakPolarHBondContact OE1-CB 3.46Å; E286-T298 PolarHBondContact OE1-OG1 3.05Å; T298-C301 PolarHBondContact O-SG 2.81Å; T298-R583 PolarHBondContact O-NH2 3.36Å
299Y91.1Very high89.4Confident23 Ų2337.8 Ų37.89%0.0919%0.188CC..EExtended strand (participates in β ladder)trans-93.5-50.7173.5-173.8-102000111.5D297 C301 T495 K531 K532 R583D297-Y299 VanDerWaalsContact C-N 3.27Å; D297-Y299 PolarHBondContact O-N 2.9Å; D297-Y299 VanDerWaalsContact OD1-CA 3.31Å; D297-Y299 WeakPolarHBondContact OD1-CA 3.35Å; D297-Y299 VanDerWaalsContact OD1-CB 3.29Å; D297-Y299 WeakPolarHBondContact OD1-CB 3.27Å; D297-Y299 PolarHBondContact OD1-N 2.77Å; Y299-C301 PolarHBondContact O-N 2.82Å; Y299-T495 VanDerWaalsContact CD1-O 3.29Å; Y299-T495 WeakPolarHBondContact CD1-O 3.47Å; Y299-T495 HydrophobicContact CE1-CG2 4.11Å; Y299-K531 PolarHBondContact OH-O 3.12Å; Y299-K532 HydrophobicContact CE1-CB 4.46Å; Y299-K532 HydrophobicContact CE1-CD 4.24Å; Y299-R583 HydrophobicContact CD2-CB 4.41Å; Y299-R583 HydrophobicContact CD2-CG 3.74Å; Y299-R583 HydrophobicContact CE2-CB 3.89Å; Y299-R583 HydrophobicContact CE2-CG 3.74Å; Y299-R583 PolarHBondContact O-NE 2.88Å; Y299-R583 PolarHBondContact O-NH1 2.78Å; Y299-R583 PolarHBondContact O-NH2 3.06Å
300N91.9Very high90.4Very high9 Ų939.9 Ų39.95%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-83.943.7-179.3-64.1-72.3000113.6D297 R330 T495 K532D297-N300 HydrophobicContact CB-CB 4.02Å; D297-N300 PolarHBondContact OD1-N 2.77Å; D297-N300 PolarHBondContact OD2-ND2 3.45Å; N300-R330 HydrophobicContact CB-CB 4.47Å; N300-R330 PolarHBondContact O-N 2.87Å; N300-R330 VanDerWaalsContact O-N 3.12Å; N300-T495 PolarHBondContact ND2-O 3.03Å; N300-K532 PolarHBondContact OD1-NZ 3.31Å
301C93.6Very high91.2Very high3 Ų337.2 Ų37.22%0.0218%0.181CC..EExtended strand (participates in β ladder)trans-136.7159.2173.162.30000112.6D297 T298 Y299 F305 G328 A329 R583D297-C301 WeakPolarHBondContact O-CB 3.3Å; D297-C301 PolarHBondContact O-SG 3.15Å; T298-C301 PolarHBondContact O-SG 2.81Å; Y299-C301 PolarHBondContact O-N 2.82Å; C301-F305 HydrophobicContact CB-CB 4.39Å; C301-F305 HydrophobicContact CB-CD1 4.46Å; C301-G328 CarbonylContact C-O 3.48Å; C301-G328 VanDerWaalsContact CA-O 3.3Å; C301-G328 WeakPolarHBondContact CA-O 3.29Å; C301-A329 HydrophobicContact CB-CB 3.55Å; C301-R583 PolarHBondContact O-NH1 3.49Å; C301-R583 PolarHBondContact O-NH2 3.46Å; C301-R583 PolarHBondContact SG-NH2 2.96Å; C301-R583 VanDerWaalsContact SG-NH2 3.37Å
302D95.1Very high91.9Very high10 Ų1035.1 Ų35.15%0.05317%0.168CC..  trans-58.8146.3172.3-97.8-61.1000112H304 F305 A327 G328 T376 K544D302-H304 VanDerWaalsContact C-N 3.26Å; D302-H304 PolarHBondContact O-N 3.32Å; D302-H304 IonicContact OD1-CE1 3.21Å; D302-H304 PolarHBondContact OD1-CE1 3.04Å; D302-H304 IonicContact OD1-ND1 2.6Å; D302-F305 HydrophobicContact CB-CB 4.28Å; D302-F305 WeakPolarHBondContact O-CB 3.45Å; D302-F305 PolarHBondContact O-N 2.86Å; D302-A327 HydrophobicContact CB-CB 4.18Å; D302-G328 PolarHBondContact N-O 3.26Å; D302-G328 PolarHBondContact OD2-N 2.93Å; D302-T376 WeakPolarHBondContact OD2-CB 3.44Å; D302-T376 PolarHBondContact OD2-OG1 3.19Å; D302-K544 IonicContact OD1-NZ 3.32Å; D302-K544 PolarHBondContact OD1-NZ 3.44Å; D302-K544 IonicContact OD2-NZ 3.97Å
303L94.2Very high92.6Very high9 Ų934.5 Ų34.55%0.04716%0.163CC..THydrogen-bonded Turntrans-61.1-36.8-177.1-71.4-179.7000112.8F305 L536 L574 I577 A578 K581 Y585L303-F305 VanDerWaalsContact C-N 3.34Å; L303-L536 HydrophobicContact CD1-CD1 4.33Å; L303-L536 HydrophobicContact CD1-CD2 3.64Å; L303-L574 HydrophobicContact CB-CD2 3.7Å; L303-L574 HydrophobicContact CD1-CD2 4.35Å; L303-I577 HydrophobicContact CB-CG2 4.36Å; L303-A578 HydrophobicContact CD1-CB 4.06Å; L303-K581 HydrophobicContact CD2-CD 3.81Å; L303-K581 PolarHBondContact O-NZ 3.43Å; L303-Y585 HydrophobicContact CD1-CE1 3.93Å; L303-Y585 HydrophobicContact CD2-CE1 3.99Å; L303-Y585 WeakPolarHBondContact CD2-OH 3.4Å; L303-Y585 HydrophobicContact CG-CE1 4.48Å
304H94.6Very high93.1Very high4 Ų431 Ų312%0.01915%0.147CC..THydrogen-bonded Turntrans-86.23.5175.758.9-67.2000113.8D302 P316 L317 F322 W326 A327 L574D302-H304 VanDerWaalsContact C-N 3.26Å; D302-H304 PolarHBondContact O-N 3.32Å; D302-H304 IonicContact OD1-CE1 3.21Å; D302-H304 PolarHBondContact OD1-CE1 3.04Å; D302-H304 IonicContact OD1-ND1 2.6Å; H304-P316 CarbonylContact O-C 3.51Å; H304-P316 WeakPolarHBondContact O-CA 3.35Å; H304-L317 HydrophobicContact CB-CB 4.3Å; H304-L317 HydrophobicContact CB-CD1 4Å; H304-L317 HydrophobicContact CB-CG 4.15Å; H304-L317 PolarHBondContact O-N 2.89Å; H304-F322 HydrophobicContact CB-CD1 3.77Å; H304-F322 HydrophobicContact CB-CE1 3.68Å; H304-W326 PolarHBondContact NE2-O 2.65Å; H304-A327 WeakPolarHBondContact NE2-CB 3.47Å; H304-L574 HydrophobicContact CB-CD2 4.01Å
305F96.1Very high93.3Very high1 Ų135.1 Ų35.10%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-79.8121.1159.7-163.2-93.4000108.3I296 C301 D302 L303 V307 A327 A329 V455 V457 V462I296-F305 HydrophobicContact CG2-CE1 4.36Å; C301-F305 HydrophobicContact CB-CB 4.39Å; C301-F305 HydrophobicContact CB-CD1 4.46Å; D302-F305 HydrophobicContact CB-CB 4.28Å; D302-F305 WeakPolarHBondContact O-CB 3.45Å; D302-F305 PolarHBondContact O-N 2.86Å; L303-F305 VanDerWaalsContact C-N 3.34Å; F305-V307 HydrophobicContact CD1-CG2 3.86Å; F305-V307 HydrophobicContact CE1-CG2 4.06Å; F305-A327 HydrophobicContact CB-CB 4.09Å; F305-A327 HydrophobicContact CD2-CB 3.95Å; F305-A329 HydrophobicContact CD1-CB 3.7Å; F305-A329 HydrophobicContact CD2-CB 4.3Å; F305-A329 HydrophobicContact CE1-CB 3.69Å; F305-A329 HydrophobicContact CE2-CB 4.31Å; F305-A329 HydrophobicContact CG-CB 4.02Å; F305-A329 HydrophobicContact CZ-CB 4.01Å; F305-V455 HydrophobicContact CE2-CG1 4.49Å; F305-V455 HydrophobicContact CZ-CG1 4.47Å; F305-V457 HydrophobicContact CE2-CB 4.48Å; F305-V457 HydrophobicContact CE2-CG2 4.16Å; F305-V462 HydrophobicContact CZ-CG2 4.35Å
306K94.7Very high93.4Very high104 Ų10435.1 Ų35.145%0.45216%0.162SC..EExtended strand (participates in β ladder)trans-99.7113.3175.1-178.4175.4167.2-164.70108.8G314 Y315K306-G314 CarbonylContact O-C 3.24Å; K306-G314 WeakPolarHBondContact O-CA 3.23Å; K306-Y315 HydrophobicContact CB-CD2 4.32Å; K306-Y315 HydrophobicContact CB-CE2 4.2Å; K306-Y315 HydrophobicContact CD-CE2 3.81Å; K306-Y315 WeakPolarHBondContact CE-OH 3.24Å; K306-Y315 HydrophobicContact CG-CE2 4.41Å; K306-Y315 PolarHBondContact N-O 2.98Å; K306-Y315 PolarHBondContact NZ-OH 3.17Å; K306-Y315 PolarHBondContact O-N 2.69Å
307V94.1Very high93.4Very high28 Ų2836.7 Ų36.717%0.1717%0.171CC..EExtended strand (participates in β ladder)trans-81.4144.5170.3-171.40000108.6I296 F305 R311I296-V307 HydrophobicContact CB-CG1 4.16Å; I296-V307 HydrophobicContact CD1-CG1 4.34Å; I296-V307 HydrophobicContact CG2-CG1 4.3Å; I296-V307 HydrophobicContact CG2-CG2 3.83Å; F305-V307 HydrophobicContact CD1-CG2 3.86Å; F305-V307 HydrophobicContact CE1-CG2 4.06Å; V307-R311 HydrophobicContact CG1-CB 4.01Å; V307-R311 HydrophobicContact CG1-CG 4.28Å
308S92.5Very high93.4Very high32 Ų3237.3 Ų37.322%0.22418%0.175CC..  trans-80.3170.4172.9560000111.8D310 R311 S313S308-D310 VanDerWaalsContact C-N 3.35Å; S308-D310 PolarHBondContact O-N 2.99Å; S308-D310 PolarHBondContact OG-OD1 2.85Å; S308-R311 PolarHBondContact O-N 3.27Å; S308-R311 VanDerWaalsContact O-N 3.1Å; S308-S313 WeakPolarHBondContact CB-O 3.4Å; S308-S313 PolarHBondContact N-O 2.9Å; S308-S313 VanDerWaalsContact OG-C 3.31Å; S308-S313 WeakPolarHBondContact OG-CA 3.49Å; S308-S313 WeakPolarHBondContact OG-CB 3.24Å; S308-S313 PolarHBondContact OG-N 2.91Å; S308-S313 PolarHBondContact OG-O 3.31Å
309R87.8Confident93.3Very high201 Ų20141.1 Ų41.176%0.75819%0.193SC*.THydrogen-bonded Turntrans-66.2-34.7-177.7-74.7-174.5172.2177-6.2113.3R311R309-R311 WeakPolarHBondContact O-CG 3.03Å; R309-R311 PolarHBondContact O-N 2.85Å
310D87.8Confident93Very high85 Ų8544.6 Ų44.646%0.45521%0.21SC..THydrogen-bonded Turntrans-65.7-18.4173.759.652.1000113.3S308 Y312 S313S308-D310 VanDerWaalsContact C-N 3.35Å; S308-D310 PolarHBondContact O-N 2.99Å; S308-D310 PolarHBondContact OG-OD1 2.85Å; D310-Y312 HydrophobicContact CB-CD2 4.12Å; D310-Y312 WeakPolarHBondContact O-CD2 3.34Å; D310-Y312 VanDerWaalsContact O-CE2 3.24Å; D310-Y312 WeakPolarHBondContact O-CE2 3.36Å; D310-Y312 PolarHBondContact O-N 2.89Å; D310-Y312 WeakPolarHBondContact OD1-CA 3.29Å; D310-Y312 PolarHBondContact OD1-N 2.94Å; D310-S313 PolarHBondContact OD1-N 2.6Å
311R91.4Very high92.8Very high34 Ų3444.2 Ų44.213%0.12821%0.208CC..SBendtrans57.921.2-175.7-42.9-155-44.4-1515.5115T295 I296 V307 S308 R309T295-R311 WeakPolarHBondContact CB-O 3.08Å; T295-R311 HydrophobicContact CG2-CB 4.14Å; T295-R311 PolarHBondContact OG1-NE 3.28Å; T295-R311 VanDerWaalsContact OG1-NE 3.14Å; T295-R311 PolarHBondContact OG1-NH2 3Å; I296-R311 WeakPolarHBondContact CB-O 3.41Å; I296-R311 VanDerWaalsContact CG1-O 3.3Å; I296-R311 WeakPolarHBondContact CG1-O 3.29Å; I296-R311 PolarHBondContact N-O 3.22Å; V307-R311 HydrophobicContact CG1-CB 4.01Å; V307-R311 HydrophobicContact CG1-CG 4.28Å; S308-R311 PolarHBondContact O-N 3.27Å; S308-R311 VanDerWaalsContact O-N 3.1Å; R309-R311 WeakPolarHBondContact O-CG 3.03Å; R309-R311 PolarHBondContact O-N 2.85Å
312Y94.7Very high92.7Very high33 Ų3344.5 Ų44.513%0.12921%0.209CC..SBendtrans-108.5-21.5170.2-60.9-68.4000112.6V294 T295 D310 F464 F466 Q468V294-Y312 WeakPolarHBondContact O-CE1 3.46Å; T295-Y312 HydrophobicContact CG2-CE1 4.2Å; D310-Y312 HydrophobicContact CB-CD2 4.12Å; D310-Y312 WeakPolarHBondContact O-CD2 3.34Å; D310-Y312 VanDerWaalsContact O-CE2 3.24Å; D310-Y312 WeakPolarHBondContact O-CE2 3.36Å; D310-Y312 PolarHBondContact O-N 2.89Å; D310-Y312 WeakPolarHBondContact OD1-CA 3.29Å; D310-Y312 PolarHBondContact OD1-N 2.94Å; Y312-F464 WeakPolarHBondContact O-CD2 3.31Å; Y312-F464 PolarHBondContact O-N 3.29Å; Y312-F466 AromaticContact CD1-CD2 3.92Å; Y312-F466 HydrophobicContact CD1-CD2 3.92Å; Y312-F466 HydrophobicContact CD1-CE2 4.21Å; Y312-F466 HydrophobicContact CE1-CD2 4.05Å; Y312-Q468 VanDerWaalsContact CD1-CD 3.42Å; Y312-Q468 HydrophobicContact CD1-CG 3.97Å; Y312-Q468 HydrophobicContact CD2-CG 4.14Å; Y312-Q468 HydrophobicContact CE1-CB 4.21Å; Y312-Q468 VanDerWaalsContact CE1-CD 3.45Å; Y312-Q468 HydrophobicContact CE1-CG 3.61Å; Y312-Q468 HydrophobicContact CE2-CG 3.83Å; Y312-Q468 HydrophobicContact CG-CG 4.22Å; Y312-Q468 VanDerWaalsContact CG-NE2 3.33Å
313S95.5Very high92.5Very high24 Ų2444 Ų4417%0.16821%0.206CC..EExtended strand (participates in β ladder)trans-109155.9172.4-51.60000113.7S308 D310 V462 E463S308-S313 WeakPolarHBondContact CB-O 3.4Å; S308-S313 PolarHBondContact N-O 2.9Å; S308-S313 VanDerWaalsContact OG-C 3.31Å; S308-S313 WeakPolarHBondContact OG-CA 3.49Å; S308-S313 WeakPolarHBondContact OG-CB 3.24Å; S308-S313 PolarHBondContact OG-N 2.91Å; S308-S313 PolarHBondContact OG-O 3.31Å; D310-S313 PolarHBondContact OD1-N 2.6Å; S313-V462 CarbonylContact C-O 3.59Å; S313-V462 VanDerWaalsContact CA-O 3.29Å; S313-V462 WeakPolarHBondContact CA-O 3.05Å; S313-E463 WeakPolarHBondContact OG-CG 3.28Å
314G95.9Very high92.2Very high1 Ų144.5 Ų44.51%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-167164.9172.500000115.4K306 V462K306-G314 CarbonylContact O-C 3.24Å; K306-G314 WeakPolarHBondContact O-CA 3.23Å; G314-V462 PolarHBondContact N-O 2.78Å; G314-V462 WeakPolarHBondContact O-CG2 3.24Å; G314-V462 PolarHBondContact O-N 2.82Å
315Y96.4Very high92Very high86 Ų8644.3 Ų44.334%0.33721%0.207SC..EExtended strand (participates in β ladder)trans-151.1152.1179.651.3-92.9000112.5K306 I350K306-Y315 HydrophobicContact CB-CD2 4.32Å; K306-Y315 HydrophobicContact CB-CE2 4.2Å; K306-Y315 HydrophobicContact CD-CE2 3.81Å; K306-Y315 WeakPolarHBondContact CE-OH 3.24Å; K306-Y315 HydrophobicContact CG-CE2 4.41Å; K306-Y315 PolarHBondContact N-O 2.98Å; K306-Y315 PolarHBondContact NZ-OH 3.17Å; K306-Y315 PolarHBondContact O-N 2.69Å; Y315-I350 HydrophobicContact CD2-CD1 4.47Å; Y315-I350 HydrophobicContact CG-CD1 4.34Å
316P95.7Very high91.9Very high1 Ų146 Ų461%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-69.5151.3167.430.6-31.9000110.6H304 T318 A327 V457 C460H304-P316 CarbonylContact O-C 3.51Å; H304-P316 WeakPolarHBondContact O-CA 3.35Å; P316-T318 HydrophobicContact CG-CG2 4.48Å; P316-T318 PolarHBondContact O-N 2.91Å; P316-A327 HydrophobicContact CB-CB 3.81Å; P316-V457 HydrophobicContact CG-CG1 4.12Å; P316-C460 WeakPolarHBondContact CD-O 3.34Å
317L94.8Very high91.9Very high36 Ų3641 Ų4119%0.18819%0.191CC..  trans-59.8137158.2-62179.8000109.1H304 F322 I577H304-L317 HydrophobicContact CB-CB 4.3Å; H304-L317 HydrophobicContact CB-CD1 4Å; H304-L317 HydrophobicContact CB-CG 4.15Å; H304-L317 PolarHBondContact O-N 2.89Å; L317-F322 HydrophobicContact CB-CB 3.99Å; L317-F322 HydrophobicContact CB-CD1 4.32Å; L317-F322 HydrophobicContact CB-CD2 4.3Å; L317-F322 HydrophobicContact CB-CG 3.98Å; L317-F322 HydrophobicContact CD1-CD2 4.49Å; L317-F322 HydrophobicContact CD1-CE1 4.47Å; L317-F322 HydrophobicContact CD1-CE2 4.32Å; L317-F322 HydrophobicContact CD1-CZ 4.3Å; L317-F322 WeakPolarHBondContact O-CB 3.37Å; L317-I577 HydrophobicContact CD1-CD1 3.82Å
318T92.4Very high91.9Very high25 Ų2539.7 Ų39.715%0.15318%0.183CC..  trans-118.82.2-179.658.90000113P316 A323 I350 V352 H354 N459P316-T318 HydrophobicContact CG-CG2 4.48Å; P316-T318 PolarHBondContact O-N 2.91Å; T318-A323 WeakPolarHBondContact O-CB 3.25Å; T318-I350 HydrophobicContact CG2-CB 4.1Å; T318-I350 HydrophobicContact CG2-CD1 4.07Å; T318-I350 HydrophobicContact CG2-CG2 3.86Å; T318-V352 HydrophobicContact CG2-CG1 4.22Å; T318-H354 PolarHBondContact O-CE1 3.41Å; T318-H354 PolarHBondContact O-NE2 3.38Å; T318-N459 HydrophobicContact CG2-CB 4.3Å; T318-N459 WeakPolarHBondContact CG2-OD1 3.37Å
319I88.6Confident92.1Very high115 Ų11538.3 Ų38.359%0.5917%0.174SC*.SBendtrans-72.4133-176.6-59.2170.9000110G321 F322I319-G321 PolarHBondContact O-N 2.88Å; I319-F322 WeakPolarHBondContact O-CB 3.31Å; I319-F322 WeakPolarHBondContact O-CD2 3.18Å; I319-F322 PolarHBondContact O-N 3.19Å; I319-F322 VanDerWaalsContact O-N 3.11Å
320E85.3Confident92.5Very high96 Ų9629.3 Ų29.345%0.44914%0.14SC..G310 helixtrans49.4-127.7177.8-64.6-177.1157.600111.2F322 A323 H354 Q569E320-F322 PolarHBondContact O-N 3.2Å; E320-A323 PolarHBondContact O-N 3.12Å; E320-H354 PolarHBondContact O-NE2 3.2Å; E320-Q569 VanDerWaalsContact CD-NE2 3.25Å; E320-Q569 PolarHBondContact OE1-NE2 3.37Å; E320-Q569 PolarHBondContact OE2-NE2 2.94Å
321G87.1Confident92.9Very high0 Ų025.4 Ų25.40%012%0.12CC..G310 helixtrans-66.1-16.2-176.200000115.2I319 A323 Y324 L325 Q566I319-G321 PolarHBondContact O-N 2.88Å; G321-A323 PolarHBondContact O-N 3.04Å; G321-Y324 PolarHBondContact O-N 3.2Å; G321-Y324 VanDerWaalsContact O-N 3.12Å; G321-L325 WeakPolarHBondContact O-CD1 3.45Å; G321-Q566 VanDerWaalsContact CA-OE1 3.27Å
322F92.2Very high93.1Very high10 Ų1023.9 Ų23.94%0.04411%0.114CC..G310 helixtrans-65.5-23.6178.4-71.1-77.7000112.4H304 L317 I319 E320 Y324 L325 C570 R573 L574H304-F322 HydrophobicContact CB-CD1 3.77Å; H304-F322 HydrophobicContact CB-CE1 3.68Å; L317-F322 HydrophobicContact CB-CB 3.99Å; L317-F322 HydrophobicContact CB-CD1 4.32Å; L317-F322 HydrophobicContact CB-CD2 4.3Å; L317-F322 HydrophobicContact CB-CG 3.98Å; L317-F322 HydrophobicContact CD1-CD2 4.49Å; L317-F322 HydrophobicContact CD1-CE1 4.47Å; L317-F322 HydrophobicContact CD1-CE2 4.32Å; L317-F322 HydrophobicContact CD1-CZ 4.3Å; L317-F322 WeakPolarHBondContact O-CB 3.37Å; I319-F322 WeakPolarHBondContact O-CB 3.31Å; I319-F322 WeakPolarHBondContact O-CD2 3.18Å; I319-F322 PolarHBondContact O-N 3.19Å; I319-F322 VanDerWaalsContact O-N 3.11Å; E320-F322 PolarHBondContact O-N 3.2Å; F322-Y324 PolarHBondContact O-N 3.49Å; F322-Y324 VanDerWaalsContact O-N 3.14Å; F322-L325 HydrophobicContact CD1-CD2 4.28Å; F322-L325 WeakPolarHBondContact O-CB 3.48Å; F322-L325 PolarHBondContact O-N 2.89Å; F322-C570 HydrophobicContact CD1-CB 4.35Å; F322-C570 HydrophobicContact CE1-CB 3.94Å; F322-C570 HydrophobicContact CE2-CB 4.14Å; F322-C570 HydrophobicContact CZ-CB 3.84Å; F322-C570 WeakPolarHBondContact CZ-O 3.49Å; F322-C570 PolarHBondContact N-SG 3.41Å; F322-C570 VanDerWaalsContact N-SG 3.43Å; F322-R573 HydrophobicContact CE2-CB 3.9Å; F322-R573 HydrophobicContact CE2-CG 3.94Å; F322-R573 HydrophobicContact CZ-CB 4Å; F322-R573 HydrophobicContact CZ-CG 4.17Å; F322-L574 HydrophobicContact CE1-CD1 4.43Å; F322-L574 HydrophobicContact CE1-CD2 3.85Å; F322-L574 HydrophobicContact CE1-CG 3.9Å; F322-L574 HydrophobicContact CZ-CD2 4.15Å; F322-L574 HydrophobicContact CZ-CG 4.02Å
323A91.1Very high93.1Very high0 Ų022.7 Ų22.70%011%0.11CC..G310 helixtrans-64-14.6173.700000114.8T318 E320 G321 V352 H354 L355 N459T318-A323 WeakPolarHBondContact O-CB 3.25Å; E320-A323 PolarHBondContact O-N 3.12Å; G321-A323 PolarHBondContact O-N 3.04Å; A323-V352 HydrophobicContact CB-CB 4.16Å; A323-V352 HydrophobicContact CB-CG1 3.75Å; A323-H354 WeakPolarHBondContact CB-NE2 3.21Å; A323-L355 HydrophobicContact CB-CD1 4.02Å; A323-L355 HydrophobicContact CB-CD2 3.76Å; A323-L355 HydrophobicContact CB-CG 3.98Å; A323-N459 WeakPolarHBondContact CA-OD1 3.23Å; A323-N459 PolarHBondContact O-ND2 3.22Å
324Y88.1Confident93.1Very high18 Ų1821.5 Ų21.57%0.07110%0.102CC..G310 helixtrans-91.3-8.2171.6-62.2-75.4000113.6G321 F322 L355 P356 M545 L563G321-Y324 PolarHBondContact O-N 3.2Å; G321-Y324 VanDerWaalsContact O-N 3.12Å; F322-Y324 PolarHBondContact O-N 3.49Å; F322-Y324 VanDerWaalsContact O-N 3.14Å; Y324-L355 HydrophobicContact CD1-CD2 3.88Å; Y324-L355 HydrophobicContact CD2-CD2 4.09Å; Y324-L355 HydrophobicContact CE1-CD2 3.52Å; Y324-L355 HydrophobicContact CE2-CD2 3.72Å; Y324-L355 HydrophobicContact CG-CD2 4.17Å; Y324-L355 VanDerWaalsContact CZ-CD2 3.42Å; Y324-P356 VanDerWaalsContact OH-CD 3.27Å; Y324-P356 WeakPolarHBondContact OH-CD 3.45Å; Y324-M545 WeakPolarHBondContact O-CA 3.45Å; Y324-L563 HydrophobicContact CE2-CD2 4.39Å
325L90.7Very high93.1Very high1 Ų121.5 Ų21.51%0.00510%0.101CC..  trans-95.1141.4-176.8-86.177.5000111.5G321 F322 I541 K544 M545G321-L325 WeakPolarHBondContact O-CD1 3.45Å; F322-L325 HydrophobicContact CD1-CD2 4.28Å; F322-L325 WeakPolarHBondContact O-CB 3.48Å; F322-L325 PolarHBondContact O-N 2.89Å; L325-I541 HydrophobicContact CD1-CG2 4.05Å; L325-I541 HydrophobicContact CD2-CG2 4.29Å; L325-K544 HydrophobicContact CG-CB 4.47Å; L325-M545 HydrophobicContact CD1-CE 3.49Å; L325-M545 VanDerWaalsContact CD1-CE 3.49Å; L325-M545 HydrophobicContact CD1-CG 3.53Å; L325-M545 HydrophobicContact CD1-SD 4.35Å; L325-M545 HydrophobicContact CG-CG 4.19Å
326W92.3Very high93Very high35 Ų3519.3 Ų19.313%0.13310%0.097CC..  trans-80.2149.8157.6-58.784.2000110.4H304 V364 L456 V457 K458H304-W326 PolarHBondContact NE2-O 2.65Å; W326-V364 HydrophobicContact CH2-CB 3.56Å; W326-V364 HydrophobicContact CH2-CG1 3.64Å; W326-V364 HydrophobicContact CH2-CG2 4.11Å; W326-V364 HydrophobicContact CZ3-CB 3.78Å; W326-V364 HydrophobicContact CZ3-CG1 3.92Å; W326-L456 HydrophobicContact CB-CD1 3.65Å; W326-L456 HydrophobicContact CB-CG 4.08Å; W326-L456 HydrophobicContact CD2-CD2 4.39Å; W326-L456 HydrophobicContact CD2-CG 4.37Å; W326-L456 HydrophobicContact CE3-CD2 4.11Å; W326-L456 HydrophobicContact CE3-CG 3.84Å; W326-V457 WeakPolarHBondContact CA-O 3.19Å; W326-K458 HydrophobicContact CD2-CB 3.89Å; W326-K458 HydrophobicContact CE3-CB 3.66Å; W326-K458 HydrophobicContact CG-CB 4.49Å; W326-K458 HydrophobicContact CH2-CB 4.45Å; W326-K458 HydrophobicContact CZ2-CD 4.36Å; W326-K458 HydrophobicContact CZ3-CB 3.97Å
327A94.8Very high92.8Very high0 Ų026 Ų260%012%0.122CC..EExtended strand (participates in β ladder)trans-131.2121.2174.500000110D302 H304 F305 P316 V457D302-A327 HydrophobicContact CB-CB 4.18Å; H304-A327 WeakPolarHBondContact NE2-CB 3.47Å; F305-A327 HydrophobicContact CB-CB 4.09Å; F305-A327 HydrophobicContact CD2-CB 3.95Å; P316-A327 HydrophobicContact CB-CB 3.81Å; A327-V457 PolarHBondContact N-O 3.39Å; A327-V457 PolarHBondContact O-N 2.88Å
328G95.8Very high92.7Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-102.3148.5-18000000113.7C301 D302 V455C301-G328 CarbonylContact C-O 3.48Å; C301-G328 VanDerWaalsContact CA-O 3.3Å; C301-G328 WeakPolarHBondContact CA-O 3.29Å; D302-G328 PolarHBondContact N-O 3.26Å; D302-G328 PolarHBondContact OD2-N 2.93Å; G328-V455 CarbonylContact C-O 3.54Å; G328-V455 WeakPolarHBondContact CA-O 3.39Å
329A96.4Very high92.9Very high4 Ų427.5 Ų27.53%0.03313%0.128CC..EExtended strand (participates in β ladder)trans-146.2141.917500000111.4I296 C301 F305 H454 V455I296-A329 HydrophobicContact CG2-CB 4.03Å; C301-A329 HydrophobicContact CB-CB 3.55Å; F305-A329 HydrophobicContact CD1-CB 3.7Å; F305-A329 HydrophobicContact CD2-CB 4.3Å; F305-A329 HydrophobicContact CE1-CB 3.69Å; F305-A329 HydrophobicContact CE2-CB 4.31Å; F305-A329 HydrophobicContact CG-CB 4.02Å; F305-A329 HydrophobicContact CZ-CB 4.01Å; A329-H454 PolarHBondContact O-CD2 3.04Å; A329-H454 VanDerWaalsContact O-CD2 3.31Å; A329-V455 HydrophobicContact CB-CG1 4.21Å; A329-V455 PolarHBondContact N-O 3.2Å; A329-V455 PolarHBondContact O-N 2.94Å
330R96.1Very high93.2Very high11 Ų1122 Ų224%0.04210%0.1CC..EExtended strand (participates in β ladder)trans-107.5161.6172.6-60.3-170.7-159.497.417.3111.9D297 N300 S370 N372 C374 S375 P453 H454D297-R330 WeakPolarHBondContact CB-O 3.35Å; D297-R330 PolarHBondContact N-O 3.08Å; N300-R330 HydrophobicContact CB-CB 4.47Å; N300-R330 PolarHBondContact O-N 2.87Å; N300-R330 VanDerWaalsContact O-N 3.12Å; R330-S370 PolarHBondContact NE-OG 2.81Å; R330-N372 PolarHBondContact NH1-O 2.85Å; R330-C374 VanDerWaalsContact NH2-C 3.34Å; R330-C374 PolarHBondContact NH2-O 2.9Å; R330-S375 VanDerWaalsContact NH2-C 3.29Å; R330-S375 PolarHBondContact NH2-O 2.83Å; R330-P453 CarbonylContact C-O 3.55Å; R330-P453 VanDerWaalsContact CA-O 3.23Å; R330-P453 WeakPolarHBondContact CA-O 3.27Å; R330-H454 HydrophobicContact CG-CB 3.99Å
331A95.9Very high93.7Very high4 Ų417.5 Ų17.53%0.0338%0.079CC..EExtended strand (participates in β ladder)trans-71.9159.2160.500000111.3V294 T295 H333 P453 F466V294-A331 HydrophobicContact CG1-CB 4.45Å; T295-A331 CarbonylContact O-C 3.46Å; T295-A331 WeakPolarHBondContact O-CA 3.42Å; A331-H333 PolarHBondContact O-N 2.7Å; A331-P453 HydrophobicContact CB-CB 3.8Å; A331-P453 HydrophobicContact CB-CG 3.94Å; A331-P453 PolarHBondContact N-O 2.6Å; A331-F466 HydrophobicContact CB-CE1 4Å; A331-F466 HydrophobicContact CB-CZ 3.88Å
332T94.7Very high94.2Very high2 Ų217.5 Ų17.51%0.0128%0.079CC..SBendtrans-64.2-22.7178.439.90000114.4M293 T295 D297 R493 G494M293-T332 PolarHBondContact O-OG1 3.47Å; T295-T332 PolarHBondContact N-OG1 2.93Å; T295-T332 VanDerWaalsContact N-OG1 3.12Å; T295-T332 WeakPolarHBondContact O-CG2 2.8Å; T295-T332 PolarHBondContact O-N 3.19Å; T295-T332 PolarHBondContact O-OG1 3.26Å; D297-T332 HydrophobicContact CB-CG2 3.92Å; T332-R493 WeakPolarHBondContact O-CD 3.42Å; T332-G494 PolarHBondContact O-N 2.86Å
333H95.4Very high94.4Very high7 Ų717.2 Ų17.23%0.0328%0.077CC..EExtended strand (participates in β ladder)trans-131.5152.5-172.9-61.596.4000111.8D291 M293 V294 A331 F452 P453 F483 K491 I492 R493D291-H333 PolarHBondContact O-CE1 3.12Å; D291-H333 PolarHBondContact O-NE2 2.87Å; M293-H333 PolarHBondContact O-CE1 3.13Å; V294-H333 HydrophobicContact CG2-CB 4.49Å; A331-H333 PolarHBondContact O-N 2.7Å; H333-F452 VanDerWaalsContact O-CD1 3.26Å; H333-F452 WeakPolarHBondContact O-CD1 3.47Å; H333-P453 WeakPolarHBondContact O-CD 3.45Å; H333-F483 HydrophobicContact CB-CE1 3.76Å; H333-F483 HydrophobicContact CB-CZ 4.29Å; H333-F483 WeakPolarHBondContact O-CZ 3.21Å; H333-K491 HydrophobicContact CB-CB 4.48Å; H333-I492 CarbonylContact C-O 3.53Å; H333-I492 WeakPolarHBondContact CA-O 3.43Å; H333-R493 PolarHBondContact CE1-NH1 3.44Å; H333-R493 WeakPolarHBondContact NE2-CD 3.32Å; H333-R493 PolarHBondContact NE2-NH1 3.44Å
334G95.8Very high94.7Very high0 Ų017.2 Ų17.20%08%0.077CC..EExtended strand (participates in β ladder)trans-132.4166.8176.600000111.2L451 I492G334-L451 CarbonylContact C-O 3.54Å; G334-L451 WeakPolarHBondContact CA-O 3.46Å; G334-I492 PolarHBondContact N-O 3.12Å; G334-I492 PolarHBondContact O-N 3.49Å
335V95.4Very high95.2Very high0 Ų018.3 Ų18.30%08%0.083CC..BIsolated β-bridgetrans-127157.6-175.8-73.80000112.4V340 I416 F418 A450 L451 F483 L486V335-V340 HydrophobicContact CB-CG2 4.46Å; V335-V340 HydrophobicContact CG1-CG2 4.25Å; V335-V340 HydrophobicContact CG2-CB 4.44Å; V335-V340 HydrophobicContact CG2-CG2 4.26Å; V335-I416 HydrophobicContact CG2-CG2 4.41Å; V335-F418 HydrophobicContact CB-CE2 4.46Å; V335-F418 HydrophobicContact CG2-CE2 3.84Å; V335-F418 HydrophobicContact CG2-CZ 4.28Å; V335-F418 WeakPolarHBondContact O-CZ 3.38Å; V335-A450 WeakPolarHBondContact O-CA 3.47Å; V335-L451 PolarHBondContact N-O 2.66Å; V335-L451 PolarHBondContact O-N 3.31Å; V335-F483 HydrophobicContact CB-CE2 4.43Å; V335-F483 HydrophobicContact CB-CZ 4.47Å; V335-F483 HydrophobicContact CG1-CE1 4.21Å; V335-F483 HydrophobicContact CG1-CE2 3.77Å; V335-F483 HydrophobicContact CG1-CZ 3.6Å; V335-F483 HydrophobicContact CG2-CE2 3.92Å; V335-F483 HydrophobicContact CG2-CZ 4.4Å; V335-L486 HydrophobicContact CG1-CD1 3.65Å
336T94.5Very high95.5Very high41 Ų4118.3 Ų18.325%0.2528%0.083SC..SBendtrans-130.6-4.8178.747.20000114.5F418 G448 A450 I492T336-F418 VanDerWaalsContact O-CD1 3.23Å; T336-F418 WeakPolarHBondContact O-CD1 3.44Å; T336-G448 WeakPolarHBondContact CG2-O 3.48Å; T336-A450 HydrophobicContact CG2-CB 3.8Å; T336-I492 HydrophobicContact CG2-CD1 3.73Å
337R92.6Very high95.7Very high140 Ų14019.3 Ų19.353%0.5289%0.09SC..SBendtrans-156.3175.5-179.863.9-177.3155.1-151.9-6.2111.2D490R337-D490 IonicContact CZ-OD1 2.99Å; R337-D490 IonicContact NE-OD1 2.82Å; R337-D490 PolarHBondContact NE-OD1 3.1Å; R337-D490 IonicContact NH2-OD1 3.35Å; R337-D490 PolarHBondContact NH2-OD1 3.23Å
338G92.4Very high95.7Very high17 Ų1723.6 Ų23.618%0.17511%0.111CC..SBendtrans82-176.7-179.100000113.4F418 E419G338-F418 WeakPolarHBondContact O-CB 3.17Å; G338-F418 WeakPolarHBondContact O-CD2 3.11Å; G338-F418 PolarHBondContact O-N 3.47Å; G338-E419 WeakPolarHBondContact CA-OE1 2.97Å
339R95Very high95.7Very high77 Ų7726.8 Ų26.829%0.29113%0.126SC..EExtended strand (participates in β ladder)trans-111.4111.2170.2-79.5172.3171.1-171.8-5.2108.9D417 E419 S420 G479 Y480 T481R339-D417 HydrophobicContact CG-CB 4.18Å; R339-D417 WeakPolarHBondContact CG-OD1 3.43Å; R339-D417 IonicContact CZ-OD1 2.74Å; R339-D417 IonicContact CZ-OD2 2.8Å; R339-D417 IonicContact NE-OD1 3.68Å; R339-D417 PolarHBondContact NE-OD1 2.9Å; R339-D417 IonicContact NE-OD2 3.57Å; R339-D417 PolarHBondContact NE-OD2 2.8Å; R339-D417 IonicContact NH2-OD1 2.82Å; R339-D417 IonicContact NH2-OD2 3.14Å; R339-D417 PolarHBondContact NH2-OD2 2.82Å; R339-E419 WeakPolarHBondContact CD-OE2 3.17Å; R339-E419 HydrophobicContact CG-CB 4.48Å; R339-E419 HydrophobicContact CG-CG 4.21Å; R339-E419 IonicContact NE-OE2 3.81Å; R339-S420 PolarHBondContact NH2-OG 2.98Å; R339-S420 VanDerWaalsContact NH2-OG 3.13Å; R339-G479 VanDerWaalsContact CB-O 3.31Å; R339-G479 WeakPolarHBondContact CB-O 3.43Å; R339-Y480 HydrophobicContact CB-CD1 3.7Å; R339-Y480 HydrophobicContact CB-CE1 3.99Å; R339-Y480 HydrophobicContact CB-CG 4.07Å; R339-Y480 HydrophobicContact CG-CD1 4.45Å; R339-Y480 HydrophobicContact CG-CE1 4.27Å; R339-T481 PolarHBondContact O-N 2.8Å
340V96Very high95.6Very high0 Ų027.7 Ų27.70%013%0.13CC..EExtended strand (participates in β ladder)trans-125.9136.4-165.1-1730000110.7V335 I416 T481 F483 L486V335-V340 HydrophobicContact CB-CG2 4.46Å; V335-V340 HydrophobicContact CG1-CG2 4.25Å; V335-V340 HydrophobicContact CG2-CB 4.44Å; V335-V340 HydrophobicContact CG2-CG2 4.26Å; V340-I416 HydrophobicContact CB-CG2 3.93Å; V340-I416 PolarHBondContact N-O 2.72Å; V340-I416 PolarHBondContact O-N 3.1Å; V340-T481 WeakPolarHBondContact CA-O 3.12Å; V340-F483 HydrophobicContact CG1-CB 4.08Å; V340-F483 HydrophobicContact CG1-CD2 3.49Å; V340-F483 VanDerWaalsContact CG1-CD2 3.49Å; V340-F483 HydrophobicContact CG1-CE2 4.17Å; V340-F483 HydrophobicContact CG1-CG 4Å; V340-L486 HydrophobicContact CB-CD1 4.46Å; V340-L486 HydrophobicContact CG1-CD1 3.79Å; V340-L486 HydrophobicContact CG2-CD1 3.79Å; V340-L486 HydrophobicContact CG2-CD2 4.33Å
341C96.4Very high95.4Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-130.9158.6174.265.70000113.1C414 Y415 T481 F483C341-C414 VanDerWaalsContact CA-O 3.3Å; C341-C414 WeakPolarHBondContact CA-O 3.34Å; C341-Y415 HydrophobicContact CB-CD1 3.64Å; C341-Y415 HydrophobicContact CB-CD2 4.26Å; C341-Y415 HydrophobicContact CB-CE1 3.5Å; C341-Y415 VanDerWaalsContact CB-CE1 3.5Å; C341-Y415 HydrophobicContact CB-CE2 4.15Å; C341-Y415 HydrophobicContact CB-CG 4Å; C341-T481 PolarHBondContact N-O 2.93Å; C341-F483 PolarHBondContact O-N 3.07Å
342Y97.3Very high95.1Very high0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-151.6158.8164.275.2-82.6000109.5I367 G368 W369 C414 P453 F464 F466Y342-I367 HydrophobicContact CE2-CD1 3.74Å; Y342-I367 HydrophobicContact CE2-CG1 4.24Å; Y342-I367 VanDerWaalsContact OH-CG1 3.3Å; Y342-I367 WeakPolarHBondContact OH-CG1 3.32Å; Y342-G368 PolarHBondContact OH-O 2.67Å; Y342-W369 AromaticContact CD1-CH2 3.54Å; Y342-W369 HydrophobicContact CD1-CH2 3.54Å; Y342-W369 AromaticContact CD1-CZ2 3.78Å; Y342-W369 HydrophobicContact CD1-CZ2 3.78Å; Y342-W369 HydrophobicContact CD1-CZ3 4.2Å; Y342-W369 HydrophobicContact CE1-CD2 4.37Å; Y342-W369 HydrophobicContact CE1-CE3 4.32Å; Y342-W369 AromaticContact CE1-CH2 3.6Å; Y342-W369 HydrophobicContact CE1-CH2 3.6Å; Y342-W369 AromaticContact CE1-CZ2 3.62Å; Y342-W369 HydrophobicContact CE1-CZ2 3.62Å; Y342-W369 AromaticContact CE1-CZ3 3.96Å; Y342-W369 HydrophobicContact CE1-CZ3 3.96Å; Y342-C414 HydrophobicContact CD1-CB 3.84Å; Y342-C414 HydrophobicContact CE1-CB 3.43Å; Y342-C414 VanDerWaalsContact CE1-CB 3.43Å; Y342-C414 HydrophobicContact CE2-CB 4.26Å; Y342-C414 HydrophobicContact CG-CB 4.41Å; Y342-C414 PolarHBondContact N-O 3.43Å; Y342-C414 VanDerWaalsContact N-O 3.09Å; Y342-C414 PolarHBondContact O-N 3.5Å; Y342-P453 HydrophobicContact CD1-CB 4.12Å; Y342-P453 HydrophobicContact CD1-CG 4Å; Y342-P453 HydrophobicContact CD2-CB 4.45Å; Y342-P453 HydrophobicContact CE1-CB 3.64Å; Y342-P453 HydrophobicContact CE1-CG 3.9Å; Y342-P453 HydrophobicContact CE2-CB 4.01Å; Y342-F464 HydrophobicContact CD2-CD1 4.06Å; Y342-F464 AromaticContact CE2-CD1 3.83Å; Y342-F464 HydrophobicContact CE2-CD1 3.83Å; Y342-F464 AromaticContact CE2-CE1 3.97Å; Y342-F464 HydrophobicContact CE2-CE1 3.97Å; Y342-F466 HydrophobicContact CD2-CD1 4.08Å; Y342-F466 AromaticContact CD2-CE1 3.83Å; Y342-F466 HydrophobicContact CD2-CE1 3.83Å; Y342-F466 HydrophobicContact CE2-CE1 4.35Å; Y342-F466 HydrophobicContact CG-CD1 4.05Å; Y342-F466 HydrophobicContact CG-CE1 4.15Å
343E96.7Very high94.7Very high4 Ų440.8 Ų40.82%0.01920%0.195CC..EExtended strand (participates in β ladder)trans-113.8158.3176.9-53.8169.1119.800111.3V411 I412 F464 N465 Y473 F474 F482E343-V411 HydrophobicContact CB-CG1 4.11Å; E343-I412 CarbonylContact C-O 3.6Å; E343-I412 WeakPolarHBondContact CA-O 3.28Å; E343-F464 WeakPolarHBondContact O-CA 3.05Å; E343-N465 HydrophobicContact CB-CB 4.23Å; E343-N465 PolarHBondContact N-O 3.35Å; E343-N465 PolarHBondContact O-N 3.3Å; E343-N465 PolarHBondContact OE2-ND2 3.28Å; E343-Y473 HydrophobicContact CB-CD2 4.46Å; E343-Y473 WeakPolarHBondContact OE1-CB 3.37Å; E343-Y473 PolarHBondContact OE1-N 3.48Å; E343-Y473 WeakPolarHBondContact OE2-CD2 3.39Å; E343-Y473 PolarHBondContact OE2-N 2.56Å; E343-F474 PolarHBondContact OE1-N 3.05Å; E343-F482 HydrophobicContact CG-CE1 4.07Å; E343-F482 HydrophobicContact CG-CZ 4.29Å
344M97.4Very high94.3Very high0 Ų045 Ų450%022%0.215CC..EExtended strand (participates in β ladder)trans-137.5132.3164.1177.7-153.466.700109.9I346 V365 I367 V411 I412 V455 V462 E463 F464M344-I346 HydrophobicContact CE-CG1 3.98Å; M344-V365 HydrophobicContact CE-CG1 3.57Å; M344-V365 HydrophobicContact SD-CG1 3.74Å; M344-I367 HydrophobicContact CB-CD1 3.3Å; M344-I367 HydrophobicContact CE-CB 4.34Å; M344-I367 HydrophobicContact CE-CD1 3.92Å; M344-I367 HydrophobicContact CE-CG2 4.36Å; M344-I367 HydrophobicContact CG-CD1 4.04Å; M344-I367 HydrophobicContact SD-CB 4.45Å; M344-I367 HydrophobicContact SD-CD1 3.67Å; M344-I367 HydrophobicContact SD-CG1 4.49Å; M344-V411 WeakPolarHBondContact O-CA 3.37Å; M344-I412 PolarHBondContact N-O 3.36Å; M344-I412 PolarHBondContact O-N 2Å; M344-V455 HydrophobicContact SD-CG2 3.84Å; M344-V462 HydrophobicContact CG-CB 4.05Å; M344-V462 HydrophobicContact CG-CG1 4.44Å; M344-V462 HydrophobicContact SD-CB 3.88Å; M344-V462 HydrophobicContact SD-CG1 3.74Å; M344-E463 CarbonylContact C-O 3.32Å; M344-E463 WeakPolarHBondContact CA-O 3.42Å; M344-E463 WeakPolarHBondContact CG-O 3.2Å; M344-F464 HydrophobicContact CB-CD1 3.87Å; M344-F464 HydrophobicContact CB-CE1 3.72Å; M344-F464 HydrophobicContact CB-CZ 4.32Å; M344-F464 HydrophobicContact CG-CD1 4.1Å; M344-F464 HydrophobicContact CG-CE1 3.69Å; M344-F464 HydrophobicContact CG-CE2 4.28Å; M344-F464 HydrophobicContact CG-CZ 3.75Å; M344-F464 HydrophobicContact SD-CE1 4.05Å; M344-F464 HydrophobicContact SD-CZ 3.83Å
345K97.5Very high93.7Very high41 Ų4145.9 Ų45.918%0.17822%0.22CC..EExtended strand (participates in β ladder)trans-96.6142.1166.4-173.7176.7174-156.30110.7N347 N409 V411 V462 E463 Y473K345-N347 VanDerWaalsContact CD-OD1 3.24Å; K345-N347 WeakPolarHBondContact CD-OD1 3.38Å; K345-N347 WeakPolarHBondContact CG-OD1 3.36Å; K345-N409 WeakPolarHBondContact CE-O 3.41Å; K345-N409 WeakPolarHBondContact CE-OD1 3.3Å; K345-N409 PolarHBondContact NZ-OD1 2.73Å; K345-V411 HydrophobicContact CB-CG2 4.05Å; K345-V411 HydrophobicContact CD-CG2 4.27Å; K345-V411 HydrophobicContact CG-CG2 3.96Å; K345-V462 WeakPolarHBondContact O-CA 3.41Å; K345-E463 PolarHBondContact N-O 2.85Å; K345-E463 PolarHBondContact O-N 2.81Å; K345-Y473 HydrophobicContact CB-CE1 4.28Å; K345-Y473 HydrophobicContact CB-CE2 4.11Å; K345-Y473 HydrophobicContact CD-CE1 3.84Å
346I97.6Very high93Very high2 Ų247.7 Ų47.71%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-87.3118.8163.1-54-175.1000108.4M344 V365 F406 G407 N409 D410 C460 V462M344-I346 HydrophobicContact CE-CG1 3.98Å; I346-V365 HydrophobicContact CD1-CB 3.82Å; I346-V365 HydrophobicContact CD1-CG2 3.61Å; I346-V365 HydrophobicContact CG1-CB 4.47Å; I346-V365 HydrophobicContact CG1-CG2 4.02Å; I346-F406 HydrophobicContact CD1-CD2 3.76Å; I346-F406 HydrophobicContact CD1-CE2 3.98Å; I346-G407 WeakPolarHBondContact CB-O 3.42Å; I346-G407 WeakPolarHBondContact CD1-O 3.23Å; I346-N409 VanDerWaalsContact O-CA 3.24Å; I346-N409 WeakPolarHBondContact O-CA 3.3Å; I346-N409 PolarHBondContact O-N 2.81Å; I346-D410 PolarHBondContact N-O 3.02Å; I346-C460 HydrophobicContact CG2-CB 4.13Å; I346-V462 HydrophobicContact CG1-CG1 4.45Å
347N95.3Very high92.3Very high55 Ų5552.2 Ų52.229%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-99-28.1-171.3-82.2-6.2000114.4K345 A461 E463K345-N347 VanDerWaalsContact CD-OD1 3.24Å; K345-N347 WeakPolarHBondContact CD-OD1 3.38Å; K345-N347 WeakPolarHBondContact CG-OD1 3.36Å; N347-A461 PolarHBondContact N-O 3.35Å; N347-E463 VanDerWaalsContact ND2-CB 3.35Å; N347-E463 WeakPolarHBondContact ND2-CB 3.1Å; N347-E463 PolarHBondContact ND2-OE2 2.69Å
348E95.3Very high91.5Very high91 Ų9149.3 Ų49.343%0.42527%0.265SS..EExtended strand (participates in β ladder)trans-158.1138179.8-171-169.8159.700110.6I350 C460 A461E348-I350 PolarHBondContact O-N 2.83Å; E348-C460 CarbonylContact O-C 3.4Å; E348-C460 VanDerWaalsContact O-CA 3.29Å; E348-C460 WeakPolarHBondContact O-CA 3.32Å; E348-A461 HydrophobicContact CB-CB 4Å; E348-A461 PolarHBondContact O-N 3.47Å
349E95.8Very high90.9Very high67 Ų6749.3 Ų49.331%0.31326%0.261SS..EExtended strand (participates in β ladder)trans-91.388.7164.1-78.1-177.2-151.200110.4P351 H363 E408E349-P351 WeakPolarHBondContact O-CD 3.34Å; E349-H363 HydrophobicContact CB-CB 4.38Å; E349-H363 VanDerWaalsContact CB-CD2 3.49Å; E349-H363 WeakPolarHBondContact CB-CD2 3.05Å; E349-H363 HydrophobicContact CG-CB 3.96Å; E349-H363 PolarHBondContact O-NE2 3.47Å; E349-H363 IonicContact OE2-CG 3.57Å; E349-E408 HydrophobicContact CG-CB 3.95Å; E349-E408 HydrophobicContact CG-CG 4.34Å; E349-E408 PolarHBondContact N-OE2 3.47Å; E349-E408 PolarHBondContact OE1-N 2.72Å
350I94.8Very high90.1Very high23 Ų2348.9 Ų48.912%0.11827%0.268CS..  trans-56.7119.7-167.4-53.8170000110.7Y315 T318 E348 V352 H363 N459 A461Y315-I350 HydrophobicContact CD2-CD1 4.47Å; Y315-I350 HydrophobicContact CG-CD1 4.34Å; T318-I350 HydrophobicContact CG2-CB 4.1Å; T318-I350 HydrophobicContact CG2-CD1 4.07Å; T318-I350 HydrophobicContact CG2-CG2 3.86Å; E348-I350 PolarHBondContact O-N 2.83Å; I350-V352 PolarHBondContact O-N 3.27Å; I350-V352 VanDerWaalsContact O-N 3.12Å; I350-H363 PolarHBondContact O-NE2 3.15Å; I350-N459 WeakPolarHBondContact CB-O 3.31Å; I350-N459 WeakPolarHBondContact CG1-O 3.41Å; I350-N459 PolarHBondContact N-O 3.14Å; I350-A461 HydrophobicContact CD1-CB 4.41Å
351P91.4Very high89.5Confident85 Ų8553.2 Ų53.255%0.55229%0.291SS*.  trans-64.1112.5-170.7-2836.3000115.1E349E349-P351 WeakPolarHBondContact O-CD 3.34Å
352V90.2Very high89.1Confident10 Ų1055.4 Ų55.46%0.06131%0.306CS..  trans-108.852.1-179.6-72.10000113.1T318 A323 I350 H354 L355 P362 N459T318-V352 HydrophobicContact CG2-CG1 4.22Å; A323-V352 HydrophobicContact CB-CB 4.16Å; A323-V352 HydrophobicContact CB-CG1 3.75Å; I350-V352 PolarHBondContact O-N 3.27Å; I350-V352 VanDerWaalsContact O-N 3.12Å; V352-H354 PolarHBondContact O-N 3.47Å; V352-L355 HydrophobicContact CB-CD1 3.93Å; V352-L355 HydrophobicContact CB-CG 4.06Å; V352-L355 HydrophobicContact CG2-CD1 3.6Å; V352-L355 HydrophobicContact CG2-CG 4.22Å; V352-L355 WeakPolarHBondContact O-CB 3.32Å; V352-L355 PolarHBondContact O-N 3.44Å; V352-P362 HydrophobicContact CG2-CB 4.22Å; V352-N459 HydrophobicContact CG1-CB 4.1Å; V352-N459 HydrophobicContact CG2-CB 4.33Å
353K86.9Confident88.9Confident196 Ų19657.4 Ų57.485%0.85232%0.315SS*.THydrogen-bonded Turntrans-63-7.8-174.7-60.2-176-179-1780115.3
354H85.2Confident88.8Confident97 Ų9757.8 Ų57.845%0.44932%0.318SS..THydrogen-bonded Turntrans-87.7-9174.263.9-71.2000113.5T318 E320 A323 V352T318-H354 PolarHBondContact O-CE1 3.41Å; T318-H354 PolarHBondContact O-NE2 3.38Å; E320-H354 PolarHBondContact O-NE2 3.2Å; A323-H354 WeakPolarHBondContact CB-NE2 3.21Å; V352-H354 PolarHBondContact O-N 3.47Å
355L84.2Confident88.7Confident18 Ų1857.9 Ų57.99%0.09432%0.318CS..SBendtrans-72.6144.1168-63.9-176.1000110.2A323 Y324 V352 E359 P362A323-L355 HydrophobicContact CB-CD1 4.02Å; A323-L355 HydrophobicContact CB-CD2 3.76Å; A323-L355 HydrophobicContact CB-CG 3.98Å; Y324-L355 HydrophobicContact CD1-CD2 3.88Å; Y324-L355 HydrophobicContact CD2-CD2 4.09Å; Y324-L355 HydrophobicContact CE1-CD2 3.52Å; Y324-L355 HydrophobicContact CE2-CD2 3.72Å; Y324-L355 HydrophobicContact CG-CD2 4.17Å; Y324-L355 VanDerWaalsContact CZ-CD2 3.42Å; V352-L355 HydrophobicContact CB-CD1 3.93Å; V352-L355 HydrophobicContact CB-CG 4.06Å; V352-L355 HydrophobicContact CG2-CD1 3.6Å; V352-L355 HydrophobicContact CG2-CG 4.22Å; V352-L355 WeakPolarHBondContact O-CB 3.32Å; V352-L355 PolarHBondContact O-N 3.44Å; L355-E359 HydrophobicContact CD1-CG 4.19Å; L355-P362 HydrophobicContact CD1-CB 4.26Å
356P81.6Confident88.7Confident37 Ų3757 Ų5724%0.2431%0.314CS..  trans-69.4144.117329.8-33.3000110.1Y324 S358 E359 Y556Y324-P356 VanDerWaalsContact OH-CD 3.27Å; Y324-P356 WeakPolarHBondContact OH-CD 3.45Å; P356-S358 PolarHBondContact O-N 3.03Å; P356-E359 WeakPolarHBondContact O-CB 3.42Å; P356-E359 PolarHBondContact O-N 3.42Å; P356-Y556 WeakPolarHBondContact CG-OH 3.41Å
357S77.9Confident88.7Confident137 Ų13757 Ų5796%0.95831%0.313SS*.THydrogen-bonded Turntrans-60.7-3178.4-35.30000115
358S77.2Confident88.9Confident78 Ų7854.3 Ų54.355%0.54530%0.299SS..THydrogen-bonded Turntrans-891.2171.564.90000113.9P356 P360P356-S358 PolarHBondContact O-N 3.03Å; S358-P360 WeakPolarHBondContact O-CD 3.43Å
359E80.1Confident89Confident17 Ų1750 Ų508%0.07928%0.279CS..  trans-75.2116.3172.918071-176.800109.8L355 P356 P362 K458 R552L355-E359 HydrophobicContact CD1-CG 4.19Å; P356-E359 WeakPolarHBondContact O-CB 3.42Å; P356-E359 PolarHBondContact O-N 3.42Å; E359-P362 HydrophobicContact CG-CB 4.47Å; E359-K458 IonicContact OE1-NZ 3.82Å; E359-K458 PolarHBondContact OE1-NZ 2.74Å; E359-R552 IonicContact OE1-CZ 2.83Å; E359-R552 IonicContact OE1-NH1 2.71Å; E359-R552 IonicContact OE1-NH2 3.24Å; E359-R552 PolarHBondContact OE1-NH2 3.39Å; E359-R552 IonicContact OE2-CZ 2.62Å; E359-R552 IonicContact OE2-NH1 2.91Å; E359-R552 PolarHBondContact OE2-NH1 2.68Å; E359-R552 IonicContact OE2-NH2 3.87Å; E359-R552 PolarHBondContact OE2-NH2 2.87Å
360P78.6Confident89.1Confident68 Ų6846.8 Ų46.844%0.44226%0.264SS..SBendtrans-71.9141.5173.131.4-34.2000110.2S358 K458 V547S358-P360 WeakPolarHBondContact O-CD 3.43Å; P360-K458 PolarHBondContact O-NZ 3.19Å; P360-V547 HydrophobicContact CG-CG1 3.94Å
361D82.3Confident89.1Confident91 Ų9146.4 Ų46.449%0.48726%0.262SS..  trans40.969.2176.3-51.3-34.5000112.2H363 V364 T390 K458D361-H363 PolarHBondContact O-N 2.76Å; D361-V364 HydrophobicContact CB-CG2 3.53Å; D361-T390 HydrophobicContact CB-CG2 4.48Å; D361-K458 PolarHBondContact O-NZ 2.95Å
362P88.7Confident89.1Confident46 Ų4644 Ų4430%0.29924%0.244SC..SBendtrans-61.9-29.6-178.524-32.7000112.3V352 L355 E359 K458 N459V352-P362 HydrophobicContact CG2-CB 4.22Å; L355-P362 HydrophobicContact CD1-CB 4.26Å; E359-P362 HydrophobicContact CG-CB 4.47Å; P362-K458 WeakPolarHBondContact O-CD 3.47Å; P362-K458 WeakPolarHBondContact O-CE 3.24Å; P362-K458 WeakPolarHBondContact O-CG 3.47Å; P362-N459 WeakPolarHBondContact O-CB 3.33Å; P362-N459 PolarHBondContact O-ND2 3.21Å
363H93.4Very high89Confident43 Ų4348.3 Ų48.320%0.19927%0.267CS..SBendtrans-117114.7-178.2-63.886.3000109.7E349 I350 D361 N459E349-H363 HydrophobicContact CB-CB 4.38Å; E349-H363 VanDerWaalsContact CB-CD2 3.49Å; E349-H363 WeakPolarHBondContact CB-CD2 3.05Å; E349-H363 HydrophobicContact CG-CB 3.96Å; E349-H363 PolarHBondContact O-NE2 3.47Å; E349-H363 IonicContact OE2-CG 3.57Å; I350-H363 PolarHBondContact O-NE2 3.15Å; D361-H363 PolarHBondContact O-N 2.76Å; H363-N459 PolarHBondContact CD2-O 3.2Å; H363-N459 VanDerWaalsContact CD2-O 3.29Å
364V93.4Very high89.2Confident12 Ų1239.9 Ų39.97%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-150.5135177.7-1700000111W326 D361 T390 K458W326-V364 HydrophobicContact CH2-CB 3.56Å; W326-V364 HydrophobicContact CH2-CG1 3.64Å; W326-V364 HydrophobicContact CH2-CG2 4.11Å; W326-V364 HydrophobicContact CZ3-CB 3.78Å; W326-V364 HydrophobicContact CZ3-CG1 3.92Å; D361-V364 HydrophobicContact CB-CG2 3.53Å; V364-T390 HydrophobicContact CG1-CG2 4.45Å; V364-T390 HydrophobicContact CG2-CG2 4.43Å; V364-K458 PolarHBondContact N-O 3.16Å; V364-K458 PolarHBondContact O-N 3Å
365V96.4Very high89.4Confident2 Ų237 Ų371%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-109.6145165-179.10000109.9M344 I346 G388 G389 F406 V455 V457 C460 V462M344-V365 HydrophobicContact CE-CG1 3.57Å; M344-V365 HydrophobicContact SD-CG1 3.74Å; I346-V365 HydrophobicContact CD1-CB 3.82Å; I346-V365 HydrophobicContact CD1-CG2 3.61Å; I346-V365 HydrophobicContact CG1-CB 4.47Å; I346-V365 HydrophobicContact CG1-CG2 4.02Å; V365-G388 CarbonylContact O-C 3.51Å; V365-G388 VanDerWaalsContact O-CA 3.28Å; V365-G388 WeakPolarHBondContact O-CA 3.32Å; V365-G389 PolarHBondContact O-N 2.87Å; V365-F406 HydrophobicContact CB-CE2 4.39Å; V365-V455 HydrophobicContact CG1-CG2 3.74Å; V365-V457 HydrophobicContact CG1-CG2 4.32Å; V365-V457 HydrophobicContact CG2-CG1 4.14Å; V365-V457 HydrophobicContact CG2-CG2 4.44Å; V365-C460 HydrophobicContact CG2-CB 3.62Å; V365-V462 HydrophobicContact CG1-CG1 4.15Å; V365-V462 HydrophobicContact CG2-CG1 3.7Å
366R96.8Very high89.8Confident23 Ų2337.3 Ų37.39%0.08723%0.226CC..EExtended strand (participates in β ladder)trans-129.7134.2166.8-177.2-170.9-62162.99109.1L378 Y387 S394 V455 L456R366-L378 WeakPolarHBondContact CD-O 3.48Å; R366-L378 HydrophobicContact CG-CD2 3.93Å; R366-L378 HydrophobicContact CG-CG 4.21Å; R366-L378 PolarHBondContact NH1-O 2.96Å; R366-Y387 CarbonylContact C-O 3.53Å; R366-Y387 VanDerWaalsContact CA-O 3.23Å; R366-Y387 WeakPolarHBondContact CA-O 3.23Å; R366-S394 WeakPolarHBondContact CD-OG 3.25Å; R366-V455 CarbonylContact O-C 3.52Å; R366-V455 WeakPolarHBondContact O-CA 3.46Å; R366-V455 VanDerWaalsContact O-CG2 3.26Å; R366-V455 WeakPolarHBondContact O-CG2 3.47Å; R366-L456 HydrophobicContact CB-CB 4.32Å; R366-L456 PolarHBondContact N-O 2.92Å; R366-L456 PolarHBondContact O-N 2.83Å
367I98.1Very high90.3Very high0 Ų036 Ų360%022%0.217CC..EExtended strand (participates in β ladder)trans-137.5149.1-172.5-174.9168.2000111.3Y342 M344 G386 Y387 F406 I412 C414 F428 V455 F464Y342-I367 HydrophobicContact CE2-CD1 3.74Å; Y342-I367 HydrophobicContact CE2-CG1 4.24Å; Y342-I367 VanDerWaalsContact OH-CG1 3.3Å; Y342-I367 WeakPolarHBondContact OH-CG1 3.32Å; M344-I367 HydrophobicContact CB-CD1 3.3Å; M344-I367 HydrophobicContact CE-CB 4.34Å; M344-I367 HydrophobicContact CE-CD1 3.92Å; M344-I367 HydrophobicContact CE-CG2 4.36Å; M344-I367 HydrophobicContact CG-CD1 4.04Å; M344-I367 HydrophobicContact SD-CB 4.45Å; M344-I367 HydrophobicContact SD-CD1 3.67Å; M344-I367 HydrophobicContact SD-CG1 4.49Å; I367-G386 CarbonylContact O-C 3.59Å; I367-G386 WeakPolarHBondContact O-CA 3.38Å; I367-Y387 PolarHBondContact N-O 2.52Å; I367-Y387 PolarHBondContact O-N 2.84Å; I367-F406 HydrophobicContact CG2-CZ 4.4Å; I367-I412 HydrophobicContact CG2-CB 4.36Å; I367-I412 HydrophobicContact CG2-CG2 3.86Å; I367-C414 WeakPolarHBondContact CD1-SG 3.18Å; I367-C414 VanDerWaalsContact CG1-SG 3.53Å; I367-F428 HydrophobicContact CG2-CE1 4.4Å; I367-V455 HydrophobicContact CB-CG2 4.48Å; I367-F464 HydrophobicContact CD1-CE1 4.02Å
368G97.8Very high91.1Very high0 Ų029.5 Ų29.50%017%0.172CC..EExtended strand (participates in β ladder)trans158.9-130.4170.900000112.1Y342 F385 H454Y342-G368 PolarHBondContact OH-O 2.67Å; G368-F385 CarbonylContact C-O 3.55Å; G368-F385 WeakPolarHBondContact CA-O 3.26Å; G368-H454 PolarHBondContact N-O 2.89Å; G368-H454 PolarHBondContact O-N 2.93Å
369W97.9Very high91.9Very high0 Ų025.8 Ų25.80%015%0.146CC..EExtended strand (participates in β ladder)trans-129.4138.9-163.7-57.1102.5000111.8Y342 F385 C414 I416 M426 L451 F452 P453 F483Y342-W369 AromaticContact CD1-CH2 3.54Å; Y342-W369 HydrophobicContact CD1-CH2 3.54Å; Y342-W369 AromaticContact CD1-CZ2 3.78Å; Y342-W369 HydrophobicContact CD1-CZ2 3.78Å; Y342-W369 HydrophobicContact CD1-CZ3 4.2Å; Y342-W369 HydrophobicContact CE1-CD2 4.37Å; Y342-W369 HydrophobicContact CE1-CE3 4.32Å; Y342-W369 AromaticContact CE1-CH2 3.6Å; Y342-W369 HydrophobicContact CE1-CH2 3.6Å; Y342-W369 AromaticContact CE1-CZ2 3.62Å; Y342-W369 HydrophobicContact CE1-CZ2 3.62Å; Y342-W369 AromaticContact CE1-CZ3 3.96Å; Y342-W369 HydrophobicContact CE1-CZ3 3.96Å; W369-F385 PolarHBondContact N-O 3.09Å; W369-F385 PolarHBondContact O-N 2.04Å; W369-C414 HydrophobicContact CZ2-CB 4.48Å; W369-I416 HydrophobicContact CD2-CB 4.47Å; W369-I416 HydrophobicContact CD2-CD1 4.34Å; W369-I416 HydrophobicContact CD2-CG2 4.44Å; W369-I416 HydrophobicContact CG-CD1 4.42Å; W369-I416 HydrophobicContact CH2-CB 4.4Å; W369-I416 HydrophobicContact CH2-CG2 3.56Å; W369-I416 HydrophobicContact CZ2-CB 3.79Å; W369-I416 HydrophobicContact CZ2-CG2 3.41Å; W369-I416 VanDerWaalsContact CZ2-CG2 3.41Å; W369-I416 HydrophobicContact CZ3-CG2 4.15Å; W369-M426 HydrophobicContact CB-SD 4.07Å; W369-M426 HydrophobicContact CG-CG 4.41Å; W369-M426 HydrophobicContact CG-SD 4.12Å; W369-L451 HydrophobicContact CB-CB 4.45Å; W369-L451 HydrophobicContact CB-CD2 4.37Å; W369-F452 WeakPolarHBondContact CA-O 3.34Å; W369-P453 HydrophobicContact CE3-CG 4.38Å; W369-P453 HydrophobicContact CH2-CG 4.43Å; W369-P453 HydrophobicContact CZ3-CG 3.77Å; W369-F483 HydrophobicContact CH2-CD2 4.26Å; W369-F483 HydrophobicContact CH2-CE2 4.38Å; W369-F483 HydrophobicContact CZ3-CD2 4.27Å; W369-F483 AromaticContact CZ3-CE2 3.96Å; W369-F483 HydrophobicContact CZ3-CE2 3.96Å
370S97.4Very high92.4Very high0 Ų027.2 Ų27.20%015%0.152CC..EExtended strand (participates in β ladder)trans-149.7166.1170.2720000113.9R330 F383 F452 H454R330-S370 PolarHBondContact NE-OG 2.81Å; S370-F383 WeakPolarHBondContact CA-O 3.47Å; S370-F452 PolarHBondContact N-O 2.64Å; S370-F452 PolarHBondContact O-N 2.82Å; S370-H454 WeakPolarHBondContact CB-ND1 3.29Å; S370-H454 PolarHBondContact OG-ND1 3.21Å
371L95.4Very high93.1Very high15 Ų1527 Ų278%0.07915%0.146CC..EExtended strand (participates in β ladder)trans-75.1149.4173-56.3179.3000111.4N373 C374 F383 L446 R449 A450 L451L371-N373 PolarHBondContact O-N 3.24Å; L371-C374 WeakPolarHBondContact O-CB 3.48Å; L371-C374 PolarHBondContact O-N 3.12Å; L371-F383 HydrophobicContact CD1-CB 3.56Å; L371-F383 HydrophobicContact CD1-CD2 4.18Å; L371-F383 HydrophobicContact CD1-CG 3.98Å; L371-F383 HydrophobicContact CD2-CB 4.43Å; L371-F383 HydrophobicContact CG-CB 3.71Å; L371-F383 PolarHBondContact N-O 3.22Å; L371-L446 HydrophobicContact CD2-CD2 4.26Å; L371-R449 HydrophobicContact CD2-CB 3.88Å; L371-A450 WeakPolarHBondContact CD2-O 3.38Å; L371-L451 HydrophobicContact CD2-CD2 3.85Å; L371-L451 HydrophobicContact CD2-CG 4.32Å; L371-L451 HydrophobicContact CG-CD2 4.45Å
372N91.7Very high93.5Very high33 Ų3326.1 Ų26.118%0.17615%0.145CC..THydrogen-bonded Turntrans-45.6-35.5176.3-179.630000114.3R330 F452 T495 K532R330-N372 PolarHBondContact NH1-O 2.85Å; N372-F452 HydrophobicContact CB-CD2 4.16Å; N372-F452 HydrophobicContact CB-CE2 3.64Å; N372-F452 HydrophobicContact CB-CZ 4.01Å; N372-T495 PolarHBondContact ND2-N 3.29Å; N372-T495 PolarHBondContact ND2-OG1 2.93Å; N372-T495 PolarHBondContact OD1-N 2.9Å; N372-T495 VanDerWaalsContact OD1-N 3.11Å; N372-T495 PolarHBondContact OD1-OG1 3.48Å; N372-K532 PolarHBondContact O-NZ 2.81Å; N372-K532 PolarHBondContact OD1-NZ 2.67Å
373N87.8Confident93.8Very high102 Ų10226.3 Ų26.355%0.54514%0.141SC..THydrogen-bonded Turntrans-994.7-173.7-69.99.8000114.6L371L371-N373 PolarHBondContact O-N 3.24Å
374C90.8Very high94Very high18 Ų1824.2 Ų24.212%0.12213%0.131CC..SBendtrans-65.2167.3173.4-73.20000112.5R330 L371 E381R330-C374 VanDerWaalsContact NH2-C 3.34Å; R330-C374 PolarHBondContact NH2-O 2.9Å; L371-C374 WeakPolarHBondContact O-CB 3.48Å; L371-C374 PolarHBondContact O-N 3.12Å; C374-E381 WeakPolarHBondContact CA-OE2 3.32Å; C374-E381 WeakPolarHBondContact CB-OE2 3.11Å
375S90.2Very high94.2Very high38 Ų3824.2 Ų24.227%0.26613%0.13SC..  trans-59.4159.1160.8172.50000112R330 Q377 E381 H454R330-S375 VanDerWaalsContact NH2-C 3.29Å; R330-S375 PolarHBondContact NH2-O 2.83Å; S375-Q377 PolarHBondContact O-N 2.96Å; S375-Q377 PolarHBondContact OG-N 2.82Å; S375-Q377 VanDerWaalsContact OG-N 3.09Å; S375-E381 WeakPolarHBondContact CB-OE1 3.37Å; S375-E381 VanDerWaalsContact N-CD 3.3Å; S375-E381 PolarHBondContact N-OE1 3.31Å; S375-E381 VanDerWaalsContact N-OE1 3.17Å; S375-E381 PolarHBondContact N-OE2 2.9Å; S375-H454 PolarHBondContact O-CE1 3.22Å
376T92.2Very high94.2Very high24 Ų2424.1 Ų24.115%0.14713%0.13CC..SBendtrans-69.1-17.5169.961.60000112.5D302 L378 H454 K544D302-T376 WeakPolarHBondContact OD2-CB 3.44Å; D302-T376 PolarHBondContact OD2-OG1 3.19Å; T376-L378 PolarHBondContact O-N 3.3Å; T376-H454 VanDerWaalsContact CA-NE2 3.28Å; T376-H454 WeakPolarHBondContact CA-NE2 3.43Å; T376-H454 PolarHBondContact O-CE1 2.88Å; T376-H454 PolarHBondContact O-NE2 3.02Å; T376-K544 PolarHBondContact OG1-NZ 2.95Å
377Q92.4Very high94.3Very high10 Ų1023 Ų235%0.04713%0.126CC..SBendtrans-78.781.3177.8-51.5-53-85.300110.7S375 G379 E380S375-Q377 PolarHBondContact O-N 2.96Å; S375-Q377 PolarHBondContact OG-N 2.82Å; S375-Q377 VanDerWaalsContact OG-N 3.09Å; Q377-G379 PolarHBondContact O-N 3.01Å; Q377-E380 HydrophobicContact CB-CB 4.21Å; Q377-E380 HydrophobicContact CB-CG 3.91Å; Q377-E380 WeakPolarHBondContact CB-OE2 3.44Å; Q377-E380 PolarHBondContact O-N 3.36Å; Q377-E380 VanDerWaalsContact O-N 3.14Å
378L95.2Very high94.2Very high0 Ų023.2 Ų23.20%013%0.127CC..THydrogen-bonded Turntrans-47.6126176.9176.958.5000112R366 T376 H454 L456R366-L378 WeakPolarHBondContact CD-O 3.48Å; R366-L378 HydrophobicContact CG-CD2 3.93Å; R366-L378 HydrophobicContact CG-CG 4.21Å; R366-L378 PolarHBondContact NH1-O 2.96Å; T376-L378 PolarHBondContact O-N 3.3Å; L378-H454 WeakPolarHBondContact CA-CE1 3.39Å; L378-H454 HydrophobicContact CD1-CB 4.16Å; L378-H454 HydrophobicContact CD2-CB 4.46Å; L378-H454 WeakPolarHBondContact CD2-O 3.16Å; L378-H454 PolarHBondContact N-CE1 3.43Å; L378-L456 HydrophobicContact CB-CB 3.79Å; L378-L456 HydrophobicContact CB-CD2 4.39Å
379G93.1Very high94Very high0 Ų023.7 Ų23.70%013%0.132CC..THydrogen-bonded Turntrans89.7-8.4179.100000116Q377 E381 S384 S395 D396 C397Q377-G379 PolarHBondContact O-N 3.01Å; G379-E381 VanDerWaalsContact C-N 3.35Å; G379-S384 WeakPolarHBondContact CA-O 3.5Å; G379-S384 PolarHBondContact N-OG 2.67Å; G379-S395 CarbonylContact O-C 3.6Å; G379-S395 VanDerWaalsContact O-C 3.24Å; G379-S395 WeakPolarHBondContact O-CA 3.37Å; G379-S395 PolarHBondContact O-N 3.32Å; G379-D396 PolarHBondContact O-N 3.07Å; G379-C397 PolarHBondContact O-N 3.29Å; G379-C397 VanDerWaalsContact O-N 3.15Å
380E91.4Very high93.8Very high47 Ų4725.6 Ų25.622%0.2214%0.144CC..SBendtrans-84.3-6.4177.6-61.7-162.2154.100113.6Q377 C397Q377-E380 HydrophobicContact CB-CB 4.21Å; Q377-E380 HydrophobicContact CB-CG 3.91Å; Q377-E380 WeakPolarHBondContact CB-OE2 3.44Å; Q377-E380 PolarHBondContact O-N 3.36Å; Q377-E380 VanDerWaalsContact O-N 3.14Å; E380-C397 PolarHBondContact O-SG 2.75Å
381E92Very high93.7Very high64 Ų6426 Ų2630%0.29915%0.148SC..SBendtrans-129.7160.5-174.8-74176-179.500113.1C374 S375 G379 S384 D396C374-E381 WeakPolarHBondContact CA-OE2 3.32Å; C374-E381 WeakPolarHBondContact CB-OE2 3.11Å; S375-E381 WeakPolarHBondContact CB-OE1 3.37Å; S375-E381 VanDerWaalsContact N-CD 3.3Å; S375-E381 PolarHBondContact N-OE1 3.31Å; S375-E381 VanDerWaalsContact N-OE1 3.17Å; S375-E381 PolarHBondContact N-OE2 2.9Å; G379-E381 VanDerWaalsContact C-N 3.35Å; E381-S384 VanDerWaalsContact O-CB 3.31Å; E381-S384 WeakPolarHBondContact O-CB 3.5Å; E381-S384 PolarHBondContact O-N 2.79Å; E381-D396 PolarHBondContact O-N 3.15Å
382P92.3Very high93.7Very high72 Ų7228.3 Ų28.347%0.46816%0.157SC..THydrogen-bonded Turntrans-55.9142165.6-23.733.2000112.4S384 D396P382-S384 PolarHBondContact O-N 3.17Å; P382-D396 WeakPolarHBondContact CG-OD1 3.48Å
383F94.8Very high93.9Very high49 Ų4929.3 Ų29.322%0.21516%0.16CC..THydrogen-bonded Turntrans58.125.9-175.9-48.4-84000114.4S370 L371 F385 A445 L446 R449S370-F383 WeakPolarHBondContact CA-O 3.47Å; L371-F383 HydrophobicContact CD1-CB 3.56Å; L371-F383 HydrophobicContact CD1-CD2 4.18Å; L371-F383 HydrophobicContact CD1-CG 3.98Å; L371-F383 HydrophobicContact CD2-CB 4.43Å; L371-F383 HydrophobicContact CG-CB 3.71Å; L371-F383 PolarHBondContact N-O 3.22Å; F383-F385 HydrophobicContact CB-CE2 4.34Å; F383-F385 HydrophobicContact CD1-CZ 4.38Å; F383-A445 HydrophobicContact CE1-CB 3.93Å; F383-A445 WeakPolarHBondContact CE1-O 3.27Å; F383-A445 HydrophobicContact CZ-CB 4.12Å; F383-A445 VanDerWaalsContact CZ-O 3.31Å; F383-A445 WeakPolarHBondContact CZ-O 2.85Å; F383-L446 HydrophobicContact CD1-CD2 3.76Å; F383-L446 HydrophobicContact CE1-CD2 4.28Å; F383-R449 VanDerWaalsContact CE2-NH2 3.28Å; F383-R449 VanDerWaalsContact CZ-NH2 3.32Å
384S96.9Very high94.2Very high0 Ų024.5 Ų24.50%014%0.135CC..EExtended strand (participates in β ladder)trans-120111.3170.2-164.50000107.6G379 E381 P382 S395G379-S384 WeakPolarHBondContact CA-O 3.5Å; G379-S384 PolarHBondContact N-OG 2.67Å; E381-S384 VanDerWaalsContact O-CB 3.31Å; E381-S384 WeakPolarHBondContact O-CB 3.5Å; E381-S384 PolarHBondContact O-N 2.79Å; P382-S384 PolarHBondContact O-N 3.17Å; S384-S395 VanDerWaalsContact O-CA 3.25Å; S384-S395 WeakPolarHBondContact O-CA 2.85Å; S384-S395 VanDerWaalsContact O-CB 3.32Å; S384-S395 WeakPolarHBondContact O-CB 3.4Å; S384-S395 PolarHBondContact O-OG 2.74Å
385F97.6Very high94.4Very high12 Ų1224.7 Ų24.75%0.05314%0.136CC..EExtended strand (participates in β ladder)trans-121.9102.8-165-56.4-70.6000110.1G368 W369 F383 M426 F439 T441 L451G368-F385 CarbonylContact C-O 3.55Å; G368-F385 WeakPolarHBondContact CA-O 3.26Å; W369-F385 PolarHBondContact N-O 3.09Å; W369-F385 PolarHBondContact O-N 2.04Å; F383-F385 HydrophobicContact CB-CE2 4.34Å; F383-F385 HydrophobicContact CD1-CZ 4.38Å; F385-M426 HydrophobicContact CB-SD 4.07Å; F385-M426 HydrophobicContact CD2-CE 3.84Å; F385-M426 HydrophobicContact CD2-SD 3.56Å; F385-M426 VanDerWaalsContact CD2-SD 3.56Å; F385-M426 HydrophobicContact CE2-CE 3.75Å; F385-M426 HydrophobicContact CE2-SD 4.12Å; F385-M426 HydrophobicContact CG-CE 4.32Å; F385-M426 HydrophobicContact CG-SD 3.9Å; F385-M426 HydrophobicContact CZ-CE 4.18Å; F385-F439 HydrophobicContact CB-CD1 4.38Å; F385-F439 HydrophobicContact CB-CD2 3.77Å; F385-F439 HydrophobicContact CB-CE1 4.38Å; F385-F439 HydrophobicContact CB-CE2 3.76Å; F385-F439 HydrophobicContact CB-CG 4.07Å; F385-F439 HydrophobicContact CB-CZ 4.06Å; F385-F439 HydrophobicContact CD1-CB 4.02Å; F385-F439 AromaticContact CD1-CD1 3.69Å; F385-F439 HydrophobicContact CD1-CD1 3.69Å; F385-F439 HydrophobicContact CD1-CD2 4.38Å; F385-F439 HydrophobicContact CD1-CE1 4.16Å; F385-F439 AromaticContact CD1-CG 3.8Å; F385-F439 HydrophobicContact CD1-CG 3.8Å; F385-F439 HydrophobicContact CE1-CB 4.47Å; F385-F439 HydrophobicContact CE1-CD1 4.49Å; F385-F439 HydrophobicContact CG-CD1 4.47Å; F385-F439 HydrophobicContact CG-CD2 4.41Å; F385-F439 HydrophobicContact CG-CG 4.25Å; F385-T441 HydrophobicContact CZ-CG2 4.33Å; F385-L451 HydrophobicContact CD2-CD2 4.27Å; F385-L451 HydrophobicContact CE2-CD2 4.2Å
386G97.3Very high94.5Very high0 Ų025.9 Ų25.90%014%0.14CC..EExtended strand (participates in β ladder)trans-126129.5-174.400000114.5I367 K393 S394I367-G386 CarbonylContact O-C 3.59Å; I367-G386 WeakPolarHBondContact O-CA 3.38Å; G386-K393 CarbonylContact O-C 3.59Å; G386-K393 WeakPolarHBondContact O-CA 3.3Å; G386-S394 PolarHBondContact N-O 2.65Å; G386-S394 PolarHBondContact O-N 3.05Å; G386-S394 PolarHBondContact O-OG 3.09Å
387Y97.8Very high94.4Very high0 Ų028.4 Ų28.40%016%0.157CC..EExtended strand (participates in β ladder)trans-97.2131.6168.1170.3-137.6000109.6R366 I367 Y402 E404 F406 I412 F428 L435R366-Y387 CarbonylContact C-O 3.53Å; R366-Y387 VanDerWaalsContact CA-O 3.23Å; R366-Y387 WeakPolarHBondContact CA-O 3.23Å; I367-Y387 PolarHBondContact N-O 2.52Å; I367-Y387 PolarHBondContact O-N 2.84Å; Y387-Y402 HydrophobicContact CD1-CE1 4.36Å; Y387-Y402 AromaticContact CD2-CD1 3.6Å; Y387-Y402 HydrophobicContact CD2-CD1 3.6Å; Y387-Y402 AromaticContact CD2-CE1 3.89Å; Y387-Y402 HydrophobicContact CD2-CE1 3.89Å; Y387-Y402 HydrophobicContact CE1-CE1 4.47Å; Y387-Y402 AromaticContact CE2-CD1 3.77Å; Y387-Y402 HydrophobicContact CE2-CD1 3.77Å; Y387-Y402 HydrophobicContact CE2-CE1 4.02Å; Y387-Y402 WeakPolarHBondContact CE2-O 3.48Å; Y387-Y402 HydrophobicContact CG-CD1 4.19Å; Y387-Y402 HydrophobicContact CG-CE1 4.06Å; Y387-E404 PolarHBondContact OH-N 3.11Å; Y387-E404 PolarHBondContact OH-O 3.05Å; Y387-F406 AromaticContact CD1-CE1 3.71Å; Y387-F406 HydrophobicContact CD1-CE1 3.71Å; Y387-F406 HydrophobicContact CD1-CZ 4.35Å; Y387-F406 HydrophobicContact CD2-CE1 4.13Å; Y387-F406 AromaticContact CE1-CD1 3.82Å; Y387-F406 HydrophobicContact CE1-CD1 3.82Å; Y387-F406 AromaticContact CE1-CE1 3.43Å; Y387-F406 HydrophobicContact CE1-CE1 3.43Å; Y387-F406 VanDerWaalsContact CE1-CE1 3.43Å; Y387-F406 HydrophobicContact CE1-CZ 4.4Å; Y387-F406 HydrophobicContact CE2-CD1 4.28Å; Y387-F406 AromaticContact CE2-CE1 3.86Å; Y387-F406 HydrophobicContact CE2-CE1 3.86Å; Y387-F406 HydrophobicContact CG-CE1 4.07Å; Y387-F406 AromaticContact CZ-CD1 3.68Å; Y387-F406 AromaticContact CZ-CE1 3.52Å; Y387-I412 HydrophobicContact CD1-CG2 4.15Å; Y387-I412 HydrophobicContact CE1-CD1 4.36Å; Y387-I412 HydrophobicContact CE1-CG2 4.25Å; Y387-F428 HydrophobicContact CD1-CB 3.69Å; Y387-F428 AromaticContact CD1-CD1 3.71Å; Y387-F428 HydrophobicContact CD1-CD1 3.71Å; Y387-F428 HydrophobicContact CD1-CD2 4Å; Y387-F428 HydrophobicContact CD1-CE1 4.32Å; Y387-F428 AromaticContact CD1-CG 3.52Å; Y387-F428 HydrophobicContact CD1-CG 3.52Å; Y387-F428 HydrophobicContact CE1-CB 3.94Å; Y387-F428 HydrophobicContact CE1-CG 4.28Å; Y387-F428 HydrophobicContact CG-CD1 4.36Å; Y387-F428 HydrophobicContact CG-CD2 4.13Å; Y387-F428 HydrophobicContact CG-CE2 4.4Å; Y387-F428 HydrophobicContact CG-CG 4.1Å; Y387-L435 HydrophobicContact CE1-CD1 3.71Å; Y387-L435 WeakPolarHBondContact OH-CD1 3.47Å
388G95.8Very high94.3Very high4 Ų434.6 Ų34.64%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-123.6151.3-174.200000114.6V365 T390 G391 K392V365-G388 CarbonylContact O-C 3.51Å; V365-G388 VanDerWaalsContact O-CA 3.28Å; V365-G388 WeakPolarHBondContact O-CA 3.32Å; G388-T390 PolarHBondContact O-N 3.02Å; G388-G391 PolarHBondContact O-N 2.79Å; G388-K392 PolarHBondContact N-O 2.87Å; G388-K392 PolarHBondContact O-N 3.39Å
389G94.4Very high94.2Very high9 Ų937.6 Ų37.69%0.09320%0.197CC..THydrogen-bonded Turntrans-56.8-13-172.900000116.3V365 G391 K405 F406V365-G389 PolarHBondContact O-N 2.87Å; G389-G391 PolarHBondContact O-N 2.84Å; G389-K405 CarbonylContact O-C 3.48Å; G389-K405 WeakPolarHBondContact O-CA 3.44Å; G389-K405 WeakPolarHBondContact O-CB 3.34Å; G389-F406 VanDerWaalsContact CA-O 3.24Å; G389-F406 WeakPolarHBondContact CA-O 3.25Å; G389-F406 VanDerWaalsContact N-CZ 3.28Å; G389-F406 PolarHBondContact O-N 2.79Å
390T93.1Very high94.3Very high40 Ų4039.8 Ų39.825%0.24522%0.215CC..EExtended strand (participates in β ladder)trans-79.53.717254.60000114.3D361 V364 G388D361-T390 HydrophobicContact CB-CG2 4.48Å; V364-T390 HydrophobicContact CG1-CG2 4.45Å; V364-T390 HydrophobicContact CG2-CG2 4.43Å; G388-T390 PolarHBondContact O-N 3.02Å
391G94.7Very high94.5Very high9 Ų943.1 Ų43.19%0.09324%0.235CC..EExtended strand (participates in β ladder)trans81.834.3-179.400000113.4G388 G389 Y402 E404G388-G391 PolarHBondContact O-N 2.79Å; G389-G391 PolarHBondContact O-N 2.84Å; G391-Y402 CarbonylContact C-O 3.55Å; G391-Y402 PolarHBondContact O-N 2.9Å; G391-Y402 VanDerWaalsContact O-O 3.05Å; G391-E404 VanDerWaalsContact CA-O 3.29Å; G391-E404 WeakPolarHBondContact CA-O 3.24Å
392K95.4Very high94.7Very high63 Ų6341.2 Ų41.227%0.27423%0.225SC..EExtended strand (participates in β ladder)trans-134.8136.5-172.7-62.9-176.7-172.1-75.70112.2G388 A400 D401G388-K392 PolarHBondContact N-O 2.87Å; G388-K392 PolarHBondContact O-N 3.39Å; K392-A400 CarbonylContact C-O 3.54Å; K392-A400 VanDerWaalsContact CA-O 3.26Å; K392-A400 WeakPolarHBondContact CA-O 3.42Å; K392-D401 WeakPolarHBondContact CG-OD1 3.41Å; K392-D401 IonicContact NZ-OD1 3.86Å; K392-D401 PolarHBondContact NZ-OD1 2.9Å; K392-D401 IonicContact NZ-OD2 3.67Å
393K96.1Very high94.9Very high54 Ų5439.8 Ų39.824%0.23522%0.223CC..EExtended strand (participates in β ladder)trans-93.3149.116766-179.7171.7-172.10110.9G386 F399 A400 Y402 A438 F439G386-K393 CarbonylContact O-C 3.59Å; G386-K393 WeakPolarHBondContact O-CA 3.3Å; K393-F399 WeakPolarHBondContact O-CA 3.35Å; K393-A400 HydrophobicContact CG-CB 4.31Å; K393-A400 PolarHBondContact N-O 2.95Å; K393-A400 PolarHBondContact O-N 3.39Å; K393-Y402 HydrophobicContact CB-CD1 4.09Å; K393-Y402 HydrophobicContact CB-CG 4.14Å; K393-Y402 HydrophobicContact CD-CD2 4.22Å; K393-Y402 HydrophobicContact CD-CG 3.85Å; K393-Y402 HydrophobicContact CG-CG 4.19Å; K393-A438 HydrophobicContact CD-CB 4.25Å; K393-A438 VanDerWaalsContact CD-O 3.23Å; K393-A438 WeakPolarHBondContact CD-O 3.26Å; K393-A438 WeakPolarHBondContact CE-O 3.45Å; K393-A438 PolarHBondContact NZ-O 2.83Å; K393-F439 HydrophobicContact CB-CE1 4.1Å; K393-F439 HydrophobicContact CB-CE2 4.29Å; K393-F439 HydrophobicContact CB-CZ 3.69Å; K393-F439 HydrophobicContact CD-CE1 4.39Å; K393-F439 HydrophobicContact CG-CE1 4.43Å; K393-F439 HydrophobicContact CG-CZ 4.5Å
394S94.8Very high94.9Very high2 Ų242 Ų421%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-143.9135.6-172.559.60000113.3R366 G386 K398 F399 F439R366-S394 WeakPolarHBondContact CD-OG 3.25Å; G386-S394 PolarHBondContact N-O 2.65Å; G386-S394 PolarHBondContact O-N 3.05Å; G386-S394 PolarHBondContact O-OG 3.09Å; S394-K398 VanDerWaalsContact CA-O 3.26Å; S394-K398 WeakPolarHBondContact CA-O 3.47Å; S394-F399 VanDerWaalsContact CB-CD1 3.44Å; S394-F439 VanDerWaalsContact O-CZ 3.32Å; S394-F439 WeakPolarHBondContact O-CZ 3.22Å
395S95.5Very high94.9Very high21 Ų2149.4 Ų49.415%0.14727%0.266CS..EExtended strand (participates in β ladder)trans-163.3145.6173.7179.60000109.2G379 S384 C397 K398G379-S395 CarbonylContact O-C 3.6Å; G379-S395 VanDerWaalsContact O-C 3.24Å; G379-S395 WeakPolarHBondContact O-CA 3.37Å; G379-S395 PolarHBondContact O-N 3.32Å; S384-S395 VanDerWaalsContact O-CA 3.25Å; S384-S395 WeakPolarHBondContact O-CA 2.85Å; S384-S395 VanDerWaalsContact O-CB 3.32Å; S384-S395 WeakPolarHBondContact O-CB 3.4Å; S384-S395 PolarHBondContact O-OG 2.74Å; S395-C397 VanDerWaalsContact C-N 3.28Å; S395-C397 PolarHBondContact O-N 3.14Å; S395-K398 PolarHBondContact N-O 2.75Å; S395-K398 VanDerWaalsContact N-O 3.12Å; S395-K398 WeakPolarHBondContact O-CB 3.21Å; S395-K398 PolarHBondContact O-N 2.82Å
396D92.9Very high94.9Very high64 Ų6449.5 Ų49.534%0.34227%0.267SS..THydrogen-bonded Turntrans50.846.1176-172.643.2000113.1G379 E381 P382 K398G379-D396 PolarHBondContact O-N 3.07Å; E381-D396 PolarHBondContact O-N 3.15Å; P382-D396 WeakPolarHBondContact CG-OD1 3.48Å; D396-K398 HydrophobicContact CB-CD 4.42Å; D396-K398 PolarHBondContact O-N 2.75Å; D396-K398 IonicContact OD2-NZ 3.25Å; D396-K398 PolarHBondContact OD2-NZ 2.86Å
397C89.6Confident94.8Very high76 Ų7650.4 Ų50.451%0.51428%0.276SS..THydrogen-bonded Turntrans57.64.1-173.9-77.80000116.3G379 E380 S395 F399G379-C397 PolarHBondContact O-N 3.29Å; G379-C397 VanDerWaalsContact O-N 3.15Å; E380-C397 PolarHBondContact O-SG 2.75Å; S395-C397 VanDerWaalsContact C-N 3.28Å; S395-C397 PolarHBondContact O-N 3.14Å; C397-F399 WeakPolarHBondContact O-CD2 3.3Å; C397-F399 VanDerWaalsContact O-CE2 3.31Å; C397-F399 WeakPolarHBondContact O-CE2 3.48Å
398K90.8Very high94.7Very high140 Ų14054.6 Ų54.661%0.60930%0.295SS*.EExtended strand (participates in β ladder)trans-92135.4177.3-66138.4-175167.90109.9S394 S395 D396S394-K398 VanDerWaalsContact CA-O 3.26Å; S394-K398 WeakPolarHBondContact CA-O 3.47Å; S395-K398 PolarHBondContact N-O 2.75Å; S395-K398 VanDerWaalsContact N-O 3.12Å; S395-K398 WeakPolarHBondContact O-CB 3.21Å; S395-K398 PolarHBondContact O-N 2.82Å; D396-K398 HydrophobicContact CB-CD 4.42Å; D396-K398 PolarHBondContact O-N 2.75Å; D396-K398 IonicContact OD2-NZ 3.25Å; D396-K398 PolarHBondContact OD2-NZ 2.86Å
399F92.1Very high94.7Very high63 Ų6358.5 Ų58.528%0.27632%0.315SS..EExtended strand (participates in β ladder)trans-120.9127.2178.9-62.1-88.4000109.1K393 S394 C397K393-F399 WeakPolarHBondContact O-CA 3.35Å; S394-F399 VanDerWaalsContact CB-CD1 3.44Å; C397-F399 WeakPolarHBondContact O-CD2 3.3Å; C397-F399 VanDerWaalsContact O-CE2 3.31Å; C397-F399 WeakPolarHBondContact O-CE2 3.48Å
400A94.3Very high94.8Very high47 Ų4759.4 Ų59.439%0.38832%0.318SS..EExtended strand (participates in β ladder)trans-135.6148.9179.400000110.2K392 K393K392-A400 CarbonylContact C-O 3.54Å; K392-A400 VanDerWaalsContact CA-O 3.26Å; K392-A400 WeakPolarHBondContact CA-O 3.42Å; K393-A400 HydrophobicContact CG-CB 4.31Å; K393-A400 PolarHBondContact N-O 2.95Å; K393-A400 PolarHBondContact O-N 3.39Å
401D96.8Very high95.1Very high117 Ų11757.9 Ų57.963%0.62631%0.309SS*.EExtended strand (participates in β ladder)trans-66.6138.2176.9-61.8-50.9000111K392K392-D401 WeakPolarHBondContact CG-OD1 3.41Å; K392-D401 IonicContact NZ-OD1 3.86Å; K392-D401 PolarHBondContact NZ-OD1 2.9Å; K392-D401 IonicContact NZ-OD2 3.67Å
402Y96.8Very high95.2Very high24 Ų2457.4 Ų57.49%0.09430%0.304CS..EExtended strand (participates in β ladder)trans-168.1141.2-178.6163.9-94.1000110.6Y387 G391 K393 F428 L435 G436 A438Y387-Y402 HydrophobicContact CD1-CE1 4.36Å; Y387-Y402 AromaticContact CD2-CD1 3.6Å; Y387-Y402 HydrophobicContact CD2-CD1 3.6Å; Y387-Y402 AromaticContact CD2-CE1 3.89Å; Y387-Y402 HydrophobicContact CD2-CE1 3.89Å; Y387-Y402 HydrophobicContact CE1-CE1 4.47Å; Y387-Y402 AromaticContact CE2-CD1 3.77Å; Y387-Y402 HydrophobicContact CE2-CD1 3.77Å; Y387-Y402 HydrophobicContact CE2-CE1 4.02Å; Y387-Y402 WeakPolarHBondContact CE2-O 3.48Å; Y387-Y402 HydrophobicContact CG-CD1 4.19Å; Y387-Y402 HydrophobicContact CG-CE1 4.06Å; G391-Y402 CarbonylContact C-O 3.55Å; G391-Y402 PolarHBondContact O-N 2.9Å; G391-Y402 VanDerWaalsContact O-O 3.05Å; K393-Y402 HydrophobicContact CB-CD1 4.09Å; K393-Y402 HydrophobicContact CB-CG 4.14Å; K393-Y402 HydrophobicContact CD-CD2 4.22Å; K393-Y402 HydrophobicContact CD-CG 3.85Å; K393-Y402 HydrophobicContact CG-CG 4.19Å; Y402-F428 HydrophobicContact CE1-CB 4.35Å; Y402-F428 AromaticContact CE1-CD2 3.77Å; Y402-F428 HydrophobicContact CE1-CD2 3.77Å; Y402-F428 HydrophobicContact CE1-CG 4.44Å; Y402-F428 PolarHBondContact OH-N 2.84Å; Y402-L435 HydrophobicContact CE1-CB 4.47Å; Y402-L435 VanDerWaalsContact CE2-O 3.24Å; Y402-L435 WeakPolarHBondContact CE2-O 3.35Å; Y402-G436 PolarHBondContact OH-O 3.07Å; Y402-A438 HydrophobicContact CD1-CB 4.17Å; Y402-A438 HydrophobicContact CD2-CB 4.24Å; Y402-A438 HydrophobicContact CE1-CB 3.74Å; Y402-A438 HydrophobicContact CE2-CB 3.8Å; Y402-A438 HydrophobicContact CG-CB 4.41Å
403G95.2Very high95.3Very high41 Ų4154.7 Ų54.742%0.42329%0.294SS..EExtended strand (participates in β ladder)trans66.4-137.5176.900000112.1
404E95.6Very high95.4Very high96 Ų9652.1 Ų52.145%0.44928%0.283SS..EExtended strand (participates in β ladder)trans-129.3169.1-177-67.4-171.9-17800111.6Y387 G391 K430 L435Y387-E404 PolarHBondContact OH-N 3.11Å; Y387-E404 PolarHBondContact OH-O 3.05Å; G391-E404 VanDerWaalsContact CA-O 3.29Å; G391-E404 WeakPolarHBondContact CA-O 3.24Å; E404-K430 HydrophobicContact CB-CD 4.1Å; E404-K430 WeakPolarHBondContact OE2-CD 3.49Å; E404-K430 IonicContact OE2-NZ 2.59Å; E404-K430 PolarHBondContact OE2-NZ 3.45Å; E404-L435 HydrophobicContact CG-CD2 4.27Å
405K96.3Very high95.5Very high155 Ų15552.3 Ų52.367%0.67428%0.283SS*.EExtended strand (participates in β ladder)trans-70.5145.5163.4-64.6-170.6177.6-174.50110.5G389 K430G389-K405 CarbonylContact O-C 3.48Å; G389-K405 WeakPolarHBondContact O-CA 3.44Å; G389-K405 WeakPolarHBondContact O-CB 3.34Å; K405-K430 PolarHBondContact O-NZ 2.71Å
406F96.9Very high95.6Very high14 Ų1451.3 Ų51.36%0.06128%0.276CS..  trans-145.4147.6175.165.5-96.8000111.3I346 V365 I367 Y387 G389 D410 I412 K430I346-F406 HydrophobicContact CD1-CD2 3.76Å; I346-F406 HydrophobicContact CD1-CE2 3.98Å; V365-F406 HydrophobicContact CB-CE2 4.39Å; I367-F406 HydrophobicContact CG2-CZ 4.4Å; Y387-F406 AromaticContact CD1-CE1 3.71Å; Y387-F406 HydrophobicContact CD1-CE1 3.71Å; Y387-F406 HydrophobicContact CD1-CZ 4.35Å; Y387-F406 HydrophobicContact CD2-CE1 4.13Å; Y387-F406 AromaticContact CE1-CD1 3.82Å; Y387-F406 HydrophobicContact CE1-CD1 3.82Å; Y387-F406 AromaticContact CE1-CE1 3.43Å; Y387-F406 HydrophobicContact CE1-CE1 3.43Å; Y387-F406 VanDerWaalsContact CE1-CE1 3.43Å; Y387-F406 HydrophobicContact CE1-CZ 4.4Å; Y387-F406 HydrophobicContact CE2-CD1 4.28Å; Y387-F406 AromaticContact CE2-CE1 3.86Å; Y387-F406 HydrophobicContact CE2-CE1 3.86Å; Y387-F406 HydrophobicContact CG-CE1 4.07Å; Y387-F406 AromaticContact CZ-CD1 3.68Å; Y387-F406 AromaticContact CZ-CE1 3.52Å; G389-F406 VanDerWaalsContact CA-O 3.24Å; G389-F406 WeakPolarHBondContact CA-O 3.25Å; G389-F406 VanDerWaalsContact N-CZ 3.28Å; G389-F406 PolarHBondContact O-N 2.79Å; F406-D410 WeakPolarHBondContact CA-OD2 3.49Å; F406-D410 HydrophobicContact CB-CB 4Å; F406-D410 VanDerWaalsContact CB-OD2 3.3Å; F406-D410 WeakPolarHBondContact CB-OD2 3.37Å; F406-I412 HydrophobicContact CB-CD1 3.93Å; F406-I412 HydrophobicContact CD1-CD1 3.77Å; F406-I412 HydrophobicContact CD1-CG1 4.22Å; F406-I412 HydrophobicContact CD2-CD1 3.91Å; F406-I412 HydrophobicContact CD2-CG1 3.71Å; F406-I412 HydrophobicContact CE1-CD1 4.2Å; F406-I412 HydrophobicContact CE1-CG1 4.26Å; F406-I412 HydrophobicContact CE2-CD1 4.33Å; F406-I412 HydrophobicContact CE2-CG1 3.75Å; F406-I412 HydrophobicContact CG-CD1 3.61Å; F406-I412 HydrophobicContact CG-CG1 3.96Å; F406-I412 HydrophobicContact CZ-CD1 4.45Å; F406-I412 HydrophobicContact CZ-CG1 4.02Å; F406-K430 HydrophobicContact CB-CD 4.3Å
407G95.6Very high95.7Very high19 Ų1948.5 Ų48.520%0.19626%0.261CS..  trans-151.4-151-172.300000112.7I346 N409 D410I346-G407 WeakPolarHBondContact CB-O 3.42Å; I346-G407 WeakPolarHBondContact CD1-O 3.23Å; G407-N409 PolarHBondContact O-N 2.94Å; G407-D410 PolarHBondContact N-OD2 2.63Å; G407-D410 WeakPolarHBondContact O-CB 3.42Å; G407-D410 PolarHBondContact O-N 2.97Å
408E95.6Very high95.9Very high88 Ų8845.2 Ų45.241%0.41124%0.238SC..THydrogen-bonded Turntrans-51.2137.3-179.6-150.9-170.191.300113.2E349 D410E349-E408 HydrophobicContact CG-CB 3.95Å; E349-E408 HydrophobicContact CG-CG 4.34Å; E349-E408 PolarHBondContact N-OE2 3.47Å; E349-E408 PolarHBondContact OE1-N 2.72Å; E408-D410 PolarHBondContact O-N 2.81Å
409N96.1Very high95.8Very high86 Ų8644 Ų4446%0.4624%0.235SC..THydrogen-bonded Turntrans69.5-10.8-177.6-62.8-78.1000117.7K345 I346 G407K345-N409 WeakPolarHBondContact CE-O 3.41Å; K345-N409 WeakPolarHBondContact CE-OD1 3.3Å; K345-N409 PolarHBondContact NZ-OD1 2.73Å; I346-N409 VanDerWaalsContact O-CA 3.24Å; I346-N409 WeakPolarHBondContact O-CA 3.3Å; I346-N409 PolarHBondContact O-N 2.81Å; G407-N409 PolarHBondContact O-N 2.94Å
410D97.6Very high95.4Very high28 Ų2843.9 Ų43.915%0.1524%0.241CC..  trans-63.9147.4170.1-77.8-50.8000111.9I346 F406 G407 E408 K430 N431I346-D410 PolarHBondContact N-O 3.02Å; F406-D410 WeakPolarHBondContact CA-OD2 3.49Å; F406-D410 HydrophobicContact CB-CB 4Å; F406-D410 VanDerWaalsContact CB-OD2 3.3Å; F406-D410 WeakPolarHBondContact CB-OD2 3.37Å; G407-D410 PolarHBondContact N-OD2 2.63Å; G407-D410 WeakPolarHBondContact O-CB 3.42Å; G407-D410 PolarHBondContact O-N 2.97Å; E408-D410 PolarHBondContact O-N 2.81Å; D410-K430 WeakPolarHBondContact OD1-CE 3.5Å; D410-N431 PolarHBondContact OD1-ND2 2.72Å
411V97.8Very high94.8Very high8 Ų843.8 Ų43.85%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-113.3125.7171.2-174.30000109.5E343 M344 K345 N431 Y473 F474E343-V411 HydrophobicContact CB-CG1 4.11Å; M344-V411 WeakPolarHBondContact O-CA 3.37Å; K345-V411 HydrophobicContact CB-CG2 4.05Å; K345-V411 HydrophobicContact CD-CG2 4.27Å; K345-V411 HydrophobicContact CG-CG2 3.96Å; V411-N431 PolarHBondContact N-OD1 2.62Å; V411-N431 PolarHBondContact O-N 3.2Å; V411-N431 PolarHBondContact O-OD1 3.48Å; V411-Y473 HydrophobicContact CG1-CD2 4.01Å; V411-Y473 HydrophobicContact CG1-CG 4.03Å; V411-Y473 HydrophobicContact CG2-CD1 3.98Å; V411-Y473 HydrophobicContact CG2-CD2 4.49Å; V411-Y473 HydrophobicContact CG2-CE1 4.49Å; V411-Y473 HydrophobicContact CG2-CG 3.97Å; V411-F474 HydrophobicContact CB-CD2 4.3Å; V411-F474 HydrophobicContact CB-CE2 3.88Å; V411-F474 HydrophobicContact CG1-CD2 4.24Å; V411-F474 HydrophobicContact CG1-CE2 4.3Å; V411-F474 HydrophobicContact CG2-CE2 4.11Å
412I98.2Very high94.4Very high0 Ų044.3 Ų44.30%025%0.248CC..EExtended strand (participates in β ladder)trans-109.1112.2176.5-54.1-57.9000109.9E343 M344 I367 Y387 F406 F428 L429 K430E343-I412 CarbonylContact C-O 3.6Å; E343-I412 WeakPolarHBondContact CA-O 3.28Å; M344-I412 PolarHBondContact N-O 3.36Å; M344-I412 PolarHBondContact O-N 2Å; I367-I412 HydrophobicContact CG2-CB 4.36Å; I367-I412 HydrophobicContact CG2-CG2 3.86Å; Y387-I412 HydrophobicContact CD1-CG2 4.15Å; Y387-I412 HydrophobicContact CE1-CD1 4.36Å; Y387-I412 HydrophobicContact CE1-CG2 4.25Å; F406-I412 HydrophobicContact CB-CD1 3.93Å; F406-I412 HydrophobicContact CD1-CD1 3.77Å; F406-I412 HydrophobicContact CD1-CG1 4.22Å; F406-I412 HydrophobicContact CD2-CD1 3.91Å; F406-I412 HydrophobicContact CD2-CG1 3.71Å; F406-I412 HydrophobicContact CE1-CD1 4.2Å; F406-I412 HydrophobicContact CE1-CG1 4.26Å; F406-I412 HydrophobicContact CE2-CD1 4.33Å; F406-I412 HydrophobicContact CE2-CG1 3.75Å; F406-I412 HydrophobicContact CG-CD1 3.61Å; F406-I412 HydrophobicContact CG-CG1 3.96Å; F406-I412 HydrophobicContact CZ-CD1 4.45Å; F406-I412 HydrophobicContact CZ-CG1 4.02Å; I412-F428 HydrophobicContact CG2-CD1 4.03Å; I412-L429 CarbonylContact C-O 3.59Å; I412-L429 VanDerWaalsContact CA-O 3.32Å; I412-L429 WeakPolarHBondContact CA-O 3.46Å; I412-K430 HydrophobicContact CD1-CB 3.89Å; I412-K430 HydrophobicContact CD1-CG 3.97Å
413G97.6Very high94.2Very high5 Ų546.8 Ų46.85%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-80.2132.6167.200000110.3F428 L429G413-F428 CarbonylContact O-C 3.47Å; G413-F428 VanDerWaalsContact O-CA 3.27Å; G413-F428 WeakPolarHBondContact O-CA 3.47Å; G413-L429 PolarHBondContact N-O 3.1Å; G413-L429 PolarHBondContact O-N 2.85Å
414C97.7Very high94.2Very high0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-118.9117.2-176.5-62.20000109.2C341 Y342 I367 W369 F428C341-C414 VanDerWaalsContact CA-O 3.3Å; C341-C414 WeakPolarHBondContact CA-O 3.34Å; Y342-C414 HydrophobicContact CD1-CB 3.84Å; Y342-C414 HydrophobicContact CE1-CB 3.43Å; Y342-C414 VanDerWaalsContact CE1-CB 3.43Å; Y342-C414 HydrophobicContact CE2-CB 4.26Å; Y342-C414 HydrophobicContact CG-CB 4.41Å; Y342-C414 PolarHBondContact N-O 3.43Å; Y342-C414 VanDerWaalsContact N-O 3.09Å; Y342-C414 PolarHBondContact O-N 3.5Å; I367-C414 WeakPolarHBondContact CD1-SG 3.18Å; I367-C414 VanDerWaalsContact CG1-SG 3.53Å; W369-C414 HydrophobicContact CZ2-CB 4.48Å; C414-F428 HydrophobicContact CB-CD1 4.25Å; C414-F428 HydrophobicContact CB-CE1 4.18Å
415Y97.3Very high94.2Very high6 Ų641.3 Ų41.32%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-118.5141.2-169.1-73.8-107000110.5C341 M426 G427 L429 E477 Y480C341-Y415 HydrophobicContact CB-CD1 3.64Å; C341-Y415 HydrophobicContact CB-CD2 4.26Å; C341-Y415 HydrophobicContact CB-CE1 3.5Å; C341-Y415 VanDerWaalsContact CB-CE1 3.5Å; C341-Y415 HydrophobicContact CB-CE2 4.15Å; C341-Y415 HydrophobicContact CB-CG 4Å; Y415-M426 WeakPolarHBondContact O-CA 3.33Å; Y415-G427 PolarHBondContact N-O 3.08Å; Y415-G427 PolarHBondContact O-N 2.83Å; Y415-G427 VanDerWaalsContact O-N 3.07Å; Y415-L429 HydrophobicContact CD2-CD1 3.84Å; Y415-L429 HydrophobicContact CE2-CB 4.24Å; Y415-L429 HydrophobicContact CE2-CD1 3.82Å; Y415-L429 HydrophobicContact CE2-CD2 3.86Å; Y415-L429 HydrophobicContact CE2-CG 4.18Å; Y415-L429 HydrophobicContact CG-CD1 4.48Å; Y415-E477 HydrophobicContact CE1-CB 3.9Å; Y415-E477 HydrophobicContact CE1-CG 3.87Å; Y415-E477 PolarHBondContact OH-N 2.88Å; Y415-Y480 AromaticContact CD1-CD1 3.52Å; Y415-Y480 HydrophobicContact CD1-CD1 3.52Å; Y415-Y480 AromaticContact CD1-CD2 3.88Å; Y415-Y480 HydrophobicContact CD1-CD2 3.88Å; Y415-Y480 AromaticContact CD1-CE1 3.72Å; Y415-Y480 HydrophobicContact CD1-CE1 3.72Å; Y415-Y480 HydrophobicContact CD1-CE2 4.03Å; Y415-Y480 AromaticContact CD1-CG 3.59Å; Y415-Y480 HydrophobicContact CD1-CG 3.59Å; Y415-Y480 AromaticContact CD1-CZ 3.94Å; Y415-Y480 HydrophobicContact CE1-CD1 4.21Å; Y415-Y480 HydrophobicContact CE1-CD2 4.11Å; Y415-Y480 AromaticContact CE1-CG 3.86Å; Y415-Y480 HydrophobicContact CE1-CG 3.86Å; Y415-Y480 HydrophobicContact CG-CD1 4.47Å; Y415-Y480 HydrophobicContact CG-CE1 4.4Å
416I96.4Very high94.3Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-139.6129.5173.7-170.1164.9000111.2V335 V340 W369 F418 V424 T425 M426 L451V335-I416 HydrophobicContact CG2-CG2 4.41Å; V340-I416 HydrophobicContact CB-CG2 3.93Å; V340-I416 PolarHBondContact N-O 2.72Å; V340-I416 PolarHBondContact O-N 3.1Å; W369-I416 HydrophobicContact CD2-CB 4.47Å; W369-I416 HydrophobicContact CD2-CD1 4.34Å; W369-I416 HydrophobicContact CD2-CG2 4.44Å; W369-I416 HydrophobicContact CG-CD1 4.42Å; W369-I416 HydrophobicContact CH2-CB 4.4Å; W369-I416 HydrophobicContact CH2-CG2 3.56Å; W369-I416 HydrophobicContact CZ2-CB 3.79Å; W369-I416 HydrophobicContact CZ2-CG2 3.41Å; W369-I416 VanDerWaalsContact CZ2-CG2 3.41Å; W369-I416 HydrophobicContact CZ3-CG2 4.15Å; I416-F418 HydrophobicContact CB-CE2 4.4Å; I416-F418 HydrophobicContact CD1-CD2 4.42Å; I416-F418 HydrophobicContact CD1-CE2 3.56Å; I416-F418 HydrophobicContact CD1-CZ 3.62Å; I416-F418 HydrophobicContact CG1-CD2 4.06Å; I416-F418 HydrophobicContact CG1-CE2 3.63Å; I416-F418 HydrophobicContact CG1-CZ 4.16Å; I416-F418 HydrophobicContact CG2-CD2 4.46Å; I416-F418 HydrophobicContact CG2-CE2 3.91Å; I416-V424 HydrophobicContact CD1-CG1 3.88Å; I416-V424 HydrophobicContact CG1-CG1 3.81Å; I416-T425 WeakPolarHBondContact CA-O 3.35Å; I416-M426 HydrophobicContact CB-CG 4.09Å; I416-M426 HydrophobicContact CD1-CE 4.44Å; I416-M426 HydrophobicContact CD1-CG 3.71Å; I416-M426 HydrophobicContact CD1-SD 4.05Å; I416-M426 HydrophobicContact CG1-CG 3.68Å; I416-L451 HydrophobicContact CD1-CB 4.3Å; I416-L451 HydrophobicContact CD1-CD1 3.52Å
417D95.4Very high94.3Very high5 Ų533.8 Ų33.83%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-116.1117.5179.8-178.610.3000110R339 E419 S420 V424 T425 Y480R339-D417 HydrophobicContact CG-CB 4.18Å; R339-D417 WeakPolarHBondContact CG-OD1 3.43Å; R339-D417 IonicContact CZ-OD1 2.74Å; R339-D417 IonicContact CZ-OD2 2.8Å; R339-D417 IonicContact NE-OD1 3.68Å; R339-D417 PolarHBondContact NE-OD1 2.9Å; R339-D417 IonicContact NE-OD2 3.57Å; R339-D417 PolarHBondContact NE-OD2 2.8Å; R339-D417 IonicContact NH2-OD1 2.82Å; R339-D417 IonicContact NH2-OD2 3.14Å; R339-D417 PolarHBondContact NH2-OD2 2.82Å; D417-E419 WeakPolarHBondContact OD1-CA 3.35Å; D417-E419 WeakPolarHBondContact OD1-CB 3.35Å; D417-E419 PolarHBondContact OD1-N 3.22Å; D417-S420 PolarHBondContact OD1-N 3.16Å; D417-S420 VanDerWaalsContact OD2-CB 3.3Å; D417-S420 WeakPolarHBondContact OD2-CB 3.06Å; D417-S420 PolarHBondContact OD2-OG 3.37Å; D417-V424 WeakPolarHBondContact O-CA 3.26Å; D417-T425 PolarHBondContact N-O 2.67Å; D417-T425 PolarHBondContact O-N 2.75Å; D417-Y480 HydrophobicContact CB-CE1 4.4Å
418F93.5Very high94.4Very high8 Ų832.9 Ų32.94%0.03519%0.187CC..SBendtrans-104.47.2173-65.1-99.6000112.9V335 T336 G338 I416 V424 K443 L446 L451V335-F418 HydrophobicContact CB-CE2 4.46Å; V335-F418 HydrophobicContact CG2-CE2 3.84Å; V335-F418 HydrophobicContact CG2-CZ 4.28Å; V335-F418 WeakPolarHBondContact O-CZ 3.38Å; T336-F418 VanDerWaalsContact O-CD1 3.23Å; T336-F418 WeakPolarHBondContact O-CD1 3.44Å; G338-F418 WeakPolarHBondContact O-CB 3.17Å; G338-F418 WeakPolarHBondContact O-CD2 3.11Å; G338-F418 PolarHBondContact O-N 3.47Å; I416-F418 HydrophobicContact CB-CE2 4.4Å; I416-F418 HydrophobicContact CD1-CD2 4.42Å; I416-F418 HydrophobicContact CD1-CE2 3.56Å; I416-F418 HydrophobicContact CD1-CZ 3.62Å; I416-F418 HydrophobicContact CG1-CD2 4.06Å; I416-F418 HydrophobicContact CG1-CE2 3.63Å; I416-F418 HydrophobicContact CG1-CZ 4.16Å; I416-F418 HydrophobicContact CG2-CD2 4.46Å; I416-F418 HydrophobicContact CG2-CE2 3.91Å; F418-V424 HydrophobicContact CD1-CB 4.23Å; F418-V424 HydrophobicContact CD1-CG1 3.64Å; F418-V424 HydrophobicContact CD1-CG2 3.49Å; F418-V424 VanDerWaalsContact CD1-CG2 3.49Å; F418-V424 HydrophobicContact CD2-CG1 4.35Å; F418-V424 HydrophobicContact CE1-CG1 3.71Å; F418-V424 HydrophobicContact CE1-CG2 4.02Å; F418-V424 HydrophobicContact CE2-CG1 4.42Å; F418-V424 HydrophobicContact CG-CG1 3.98Å; F418-V424 HydrophobicContact CG-CG2 4.23Å; F418-V424 HydrophobicContact CZ-CG1 4.12Å; F418-K443 WeakPolarHBondContact O-CE 3.46Å; F418-K443 PolarHBondContact O-NZ 3.4Å; F418-L446 HydrophobicContact CE1-CD1 4.07Å; F418-L451 HydrophobicContact CZ-CD1 4.31Å
419E89.1Confident94.4Very high114 Ų11429.1 Ų29.153%0.53317%0.17SC..  trans-101.6-25.5-174.5-59.6-173.7165.600113G338 R339 D417 G421G338-E419 WeakPolarHBondContact CA-OE1 2.97Å; R339-E419 WeakPolarHBondContact CD-OE2 3.17Å; R339-E419 HydrophobicContact CG-CB 4.48Å; R339-E419 HydrophobicContact CG-CG 4.21Å; R339-E419 IonicContact NE-OE2 3.81Å; D417-E419 WeakPolarHBondContact OD1-CA 3.35Å; D417-E419 WeakPolarHBondContact OD1-CB 3.35Å; D417-E419 PolarHBondContact OD1-N 3.22Å; E419-G421 VanDerWaalsContact C-N 3.28Å; E419-G421 PolarHBondContact O-N 3.06Å
420S82.9Confident94.5Very high60 Ų6026.6 Ų26.642%0.4215%0.154SC..SBendtrans-71.369.1179.1-68.60000114.5R339 D417R339-S420 PolarHBondContact NH2-OG 2.98Å; R339-S420 VanDerWaalsContact NH2-OG 3.13Å; D417-S420 PolarHBondContact OD1-N 3.16Å; D417-S420 VanDerWaalsContact OD2-CB 3.3Å; D417-S420 WeakPolarHBondContact OD2-CB 3.06Å; D417-S420 PolarHBondContact OD2-OG 3.37Å
421G83.4Confident94.4Very high46 Ų4628.1 Ų28.147%0.47416%0.162SC..THydrogen-bonded Turntrans76.6-142.2175.400000112.8E419 K443E419-G421 VanDerWaalsContact C-N 3.28Å; E419-G421 PolarHBondContact O-N 3.06Å; G421-K443 WeakPolarHBondContact O-CE 3.28Å; G421-K443 PolarHBondContact O-NZ 3.36Å
422D87.6Confident94.2Very high128 Ų12829.4 Ų29.468%0.68418%0.177SC*.THydrogen-bonded Turntrans-91.8-8.1179.3-64.2-54.7000113.9T442 K443D422-T442 WeakPolarHBondContact O-CA 3.47Å; D422-K443 PolarHBondContact O-N 2.93Å
423E92.4Very high94.1Very high76 Ų7633.6 Ų33.636%0.35520%0.203SC..EExtended strand (participates in β ladder)trans-78153168.3-62.6-161.1142.500110.9T425 R440 T441E423-T425 HydrophobicContact CB-CG2 4.39Å; E423-R440 IonicContact OE1-NH1 3.62Å; E423-R440 WeakPolarHBondContact OE2-CD 3.23Å; E423-R440 IonicContact OE2-CZ 2.75Å; E423-R440 IonicContact OE2-NE 3.79Å; E423-R440 IonicContact OE2-NH1 3.75Å; E423-R440 PolarHBondContact OE2-NH1 2.96Å; E423-T441 CarbonylContact C-O 3.57Å; E423-T441 WeakPolarHBondContact CA-O 3.36Å
424V95.1Very high94Very high0 Ų037.1 Ų37.10%022%0.22CC..EExtended strand (participates in β ladder)trans-118.3119.2164.11800000106.1I416 D417 F418 M426 R440 T441 K443 L446I416-V424 HydrophobicContact CD1-CG1 3.88Å; I416-V424 HydrophobicContact CG1-CG1 3.81Å; D417-V424 WeakPolarHBondContact O-CA 3.26Å; F418-V424 HydrophobicContact CD1-CB 4.23Å; F418-V424 HydrophobicContact CD1-CG1 3.64Å; F418-V424 HydrophobicContact CD1-CG2 3.49Å; F418-V424 VanDerWaalsContact CD1-CG2 3.49Å; F418-V424 HydrophobicContact CD2-CG1 4.35Å; F418-V424 HydrophobicContact CE1-CG1 3.71Å; F418-V424 HydrophobicContact CE1-CG2 4.02Å; F418-V424 HydrophobicContact CE2-CG1 4.42Å; F418-V424 HydrophobicContact CG-CG1 3.98Å; F418-V424 HydrophobicContact CG-CG2 4.23Å; F418-V424 HydrophobicContact CZ-CG1 4.12Å; V424-M426 HydrophobicContact CG1-CE 4.45Å; V424-R440 WeakPolarHBondContact O-CA 3.22Å; V424-T441 HydrophobicContact CB-CG2 4.01Å; V424-T441 PolarHBondContact N-O 3.24Å; V424-T441 PolarHBondContact O-N 2.88Å; V424-K443 HydrophobicContact CG2-CG 3.7Å; V424-L446 HydrophobicContact CB-CD1 4.23Å; V424-L446 HydrophobicContact CG1-CD1 4.36Å; V424-L446 HydrophobicContact CG2-CD1 3.92Å
425T96.4Very high94Very high21 Ų2138.5 Ų38.513%0.12923%0.228CC..EExtended strand (participates in β ladder)trans-109.3146.3-175.676.50000110.7I416 D417 E423 R440I416-T425 WeakPolarHBondContact CA-O 3.35Å; D417-T425 PolarHBondContact N-O 2.67Å; D417-T425 PolarHBondContact O-N 2.75Å; E423-T425 HydrophobicContact CB-CG2 4.39Å; T425-R440 HydrophobicContact CG2-CG 4.29Å
426M97Very high93.8Very high0 Ų039.8 Ų39.80%024%0.243CC..EExtended strand (participates in β ladder)trans-129.3127.9179.3-70.7156.1-101.900109.6W369 F385 Y415 I416 V424 A438 F439 T441 L451W369-M426 HydrophobicContact CB-SD 4.07Å; W369-M426 HydrophobicContact CG-CG 4.41Å; W369-M426 HydrophobicContact CG-SD 4.12Å; F385-M426 HydrophobicContact CB-SD 4.07Å; F385-M426 HydrophobicContact CD2-CE 3.84Å; F385-M426 HydrophobicContact CD2-SD 3.56Å; F385-M426 VanDerWaalsContact CD2-SD 3.56Å; F385-M426 HydrophobicContact CE2-CE 3.75Å; F385-M426 HydrophobicContact CE2-SD 4.12Å; F385-M426 HydrophobicContact CG-CE 4.32Å; F385-M426 HydrophobicContact CG-SD 3.9Å; F385-M426 HydrophobicContact CZ-CE 4.18Å; Y415-M426 WeakPolarHBondContact O-CA 3.33Å; I416-M426 HydrophobicContact CB-CG 4.09Å; I416-M426 HydrophobicContact CD1-CE 4.44Å; I416-M426 HydrophobicContact CD1-CG 3.71Å; I416-M426 HydrophobicContact CD1-SD 4.05Å; I416-M426 HydrophobicContact CG1-CG 3.68Å; V424-M426 HydrophobicContact CG1-CE 4.45Å; M426-A438 PolarHBondContact O-N 2.72Å; M426-F439 HydrophobicContact CB-CB 4.28Å; M426-F439 HydrophobicContact CB-CD2 4.35Å; M426-F439 HydrophobicContact CE-CB 4.4Å; M426-F439 PolarHBondContact N-O 2.98Å; M426-F439 PolarHBondContact O-N 3.06Å; M426-F439 VanDerWaalsContact O-N 3.16Å; M426-T441 HydrophobicContact CE-CG2 3.95Å; M426-L451 HydrophobicContact CE-CD1 4.3Å; M426-L451 HydrophobicContact SD-CD1 4.44Å
427G96.7Very high93.8Very high12 Ų1243.2 Ų43.212%0.12426%0.263CS..EExtended strand (participates in β ladder)trans-129.4165.8-179.700000111.6Y415Y415-G427 PolarHBondContact N-O 3.08Å; Y415-G427 PolarHBondContact O-N 2.83Å; Y415-G427 VanDerWaalsContact O-N 3.07Å
428F97.9Very high93.8Very high0 Ų043.2 Ų43.20%026%0.264CS..EExtended strand (participates in β ladder)trans-133.2142178.6-61.4-90.3000110.6I367 Y387 Y402 I412 G413 C414 L435 A438 F439I367-F428 HydrophobicContact CG2-CE1 4.4Å; Y387-F428 HydrophobicContact CD1-CB 3.69Å; Y387-F428 AromaticContact CD1-CD1 3.71Å; Y387-F428 HydrophobicContact CD1-CD1 3.71Å; Y387-F428 HydrophobicContact CD1-CD2 4Å; Y387-F428 HydrophobicContact CD1-CE1 4.32Å; Y387-F428 AromaticContact CD1-CG 3.52Å; Y387-F428 HydrophobicContact CD1-CG 3.52Å; Y387-F428 HydrophobicContact CE1-CB 3.94Å; Y387-F428 HydrophobicContact CE1-CG 4.28Å; Y387-F428 HydrophobicContact CG-CD1 4.36Å; Y387-F428 HydrophobicContact CG-CD2 4.13Å; Y387-F428 HydrophobicContact CG-CE2 4.4Å; Y387-F428 HydrophobicContact CG-CG 4.1Å; Y402-F428 HydrophobicContact CE1-CB 4.35Å; Y402-F428 AromaticContact CE1-CD2 3.77Å; Y402-F428 HydrophobicContact CE1-CD2 3.77Å; Y402-F428 HydrophobicContact CE1-CG 4.44Å; Y402-F428 PolarHBondContact OH-N 2.84Å; I412-F428 HydrophobicContact CG2-CD1 4.03Å; G413-F428 CarbonylContact O-C 3.47Å; G413-F428 VanDerWaalsContact O-CA 3.27Å; G413-F428 WeakPolarHBondContact O-CA 3.47Å; C414-F428 HydrophobicContact CB-CD1 4.25Å; C414-F428 HydrophobicContact CB-CE1 4.18Å; F428-L435 HydrophobicContact CB-CD1 4.41Å; F428-L435 VanDerWaalsContact O-CB 3.29Å; F428-L435 WeakPolarHBondContact O-CB 3.3Å; F428-L435 WeakPolarHBondContact O-CG 3.26Å; F428-L435 PolarHBondContact O-N 2.84Å; F428-A438 HydrophobicContact CD2-CB 3.7Å; F428-A438 HydrophobicContact CE2-CB 3.61Å; F428-F439 HydrophobicContact CE2-CD2 4.22Å; F428-F439 AromaticContact CE2-CE2 3.94Å; F428-F439 HydrophobicContact CE2-CE2 3.94Å; F428-F439 HydrophobicContact CZ-CE2 4.35Å
429L97.3Very high94Very high9 Ų943.9 Ų43.95%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-108.9139.7169.2-85.960.4000108.3I412 G413 Y415 V433 N434 E477I412-L429 CarbonylContact C-O 3.59Å; I412-L429 VanDerWaalsContact CA-O 3.32Å; I412-L429 WeakPolarHBondContact CA-O 3.46Å; G413-L429 PolarHBondContact N-O 3.1Å; G413-L429 PolarHBondContact O-N 2.85Å; Y415-L429 HydrophobicContact CD2-CD1 3.84Å; Y415-L429 HydrophobicContact CE2-CB 4.24Å; Y415-L429 HydrophobicContact CE2-CD1 3.82Å; Y415-L429 HydrophobicContact CE2-CD2 3.86Å; Y415-L429 HydrophobicContact CE2-CG 4.18Å; Y415-L429 HydrophobicContact CG-CD1 4.48Å; L429-V433 CarbonylContact C-O 3.53Å; L429-V433 WeakPolarHBondContact CA-O 3.29Å; L429-N434 HydrophobicContact CD1-CB 3.82Å; L429-N434 HydrophobicContact CG-CB 4.06Å; L429-E477 HydrophobicContact CD2-CG 3.94Å
430K97.4Very high94.3Very high32 Ų3246 Ų4614%0.13927%0.27CS..EExtended strand (participates in β ladder)trans-114.2119.8168.2173.5-173.4168.2-169.40108.3E404 K405 F406 D410 I412 G432 V433 L435E404-K430 HydrophobicContact CB-CD 4.1Å; E404-K430 WeakPolarHBondContact OE2-CD 3.49Å; E404-K430 IonicContact OE2-NZ 2.59Å; E404-K430 PolarHBondContact OE2-NZ 3.45Å; K405-K430 PolarHBondContact O-NZ 2.71Å; F406-K430 HydrophobicContact CB-CD 4.3Å; D410-K430 WeakPolarHBondContact OD1-CE 3.5Å; I412-K430 HydrophobicContact CD1-CB 3.89Å; I412-K430 HydrophobicContact CD1-CG 3.97Å; K430-G432 PolarHBondContact O-N 2.94Å; K430-V433 PolarHBondContact N-O 2.97Å; K430-V433 WeakPolarHBondContact O-CB 3.38Å; K430-V433 PolarHBondContact O-N 2.84Å; K430-L435 HydrophobicContact CB-CD1 3.99Å; K430-L435 HydrophobicContact CB-CD2 4.46Å; K430-L435 HydrophobicContact CB-CG 4.47Å
431N96.3Very high94.8Very high60 Ų6044.1 Ų44.132%0.32126%0.256SS..THydrogen-bonded Turntrans48.543.7-179.2-53.1-27.9000112.8D410 V411 V433 F474D410-N431 PolarHBondContact OD1-ND2 2.72Å; V411-N431 PolarHBondContact N-OD1 2.62Å; V411-N431 PolarHBondContact O-N 3.2Å; V411-N431 PolarHBondContact O-OD1 3.48Å; N431-V433 VanDerWaalsContact C-N 3.31Å; N431-V433 PolarHBondContact O-N 3.49Å; N431-F474 VanDerWaalsContact CA-CZ 3.42Å; N431-F474 HydrophobicContact CB-CE2 4.37Å; N431-F474 HydrophobicContact CB-CZ 3.89Å; N431-F474 VanDerWaalsContact O-CE1 3.23Å; N431-F474 WeakPolarHBondContact O-CE1 3.45Å
432G93.2Very high95.3Very high35 Ų3544.6 Ų44.636%0.36125%0.25SS..THydrogen-bonded Turntrans81.8-11.6-176.500000116.2K430K430-G432 PolarHBondContact O-N 2.94Å
433V95.7Very high95.5Very high88 Ų8842.3 Ų42.353%0.53323%0.234SC..EExtended strand (participates in β ladder)trans-87.4121.8-179.9-175.20000110.7L429 K430 N431L429-V433 CarbonylContact C-O 3.53Å; L429-V433 WeakPolarHBondContact CA-O 3.29Å; K430-V433 PolarHBondContact N-O 2.97Å; K430-V433 WeakPolarHBondContact O-CB 3.38Å; K430-V433 PolarHBondContact O-N 2.84Å; N431-V433 VanDerWaalsContact C-N 3.31Å; N431-V433 PolarHBondContact O-N 3.49Å
434N95.8Very high95.5Very high79 Ų7946.9 Ų46.942%0.42226%0.255SS..EExtended strand (participates in β ladder)trans-74.3126.7179.8-171.8-34.9000111.7L429 G436 E477L429-N434 HydrophobicContact CD1-CB 3.82Å; L429-N434 HydrophobicContact CG-CB 4.06Å; N434-G436 WeakPolarHBondContact OD1-CA 3.31Å; N434-G436 PolarHBondContact OD1-N 2.86Å; N434-E477 PolarHBondContact ND2-OE1 2.88Å; N434-E477 PolarHBondContact ND2-OE2 2.84Å
435L96.3Very high95.3Very high30 Ų3048.8 Ų48.816%0.15727%0.271CS..EExtended strand (participates in β ladder)trans-97.58.9-175.8-54.2173.8000113.3Y387 Y402 E404 F428 K430Y387-L435 HydrophobicContact CE1-CD1 3.71Å; Y387-L435 WeakPolarHBondContact OH-CD1 3.47Å; Y402-L435 HydrophobicContact CE1-CB 4.47Å; Y402-L435 VanDerWaalsContact CE2-O 3.24Å; Y402-L435 WeakPolarHBondContact CE2-O 3.35Å; E404-L435 HydrophobicContact CG-CD2 4.27Å; F428-L435 HydrophobicContact CB-CD1 4.41Å; F428-L435 VanDerWaalsContact O-CB 3.29Å; F428-L435 WeakPolarHBondContact O-CB 3.3Å; F428-L435 WeakPolarHBondContact O-CG 3.26Å; F428-L435 PolarHBondContact O-N 2.84Å; K430-L435 HydrophobicContact CB-CD1 3.99Å; K430-L435 HydrophobicContact CB-CD2 4.46Å; K430-L435 HydrophobicContact CB-CG 4.47Å
436G94.6Very high95.1Very high33 Ų3348 Ų4834%0.3427%0.267SS..EExtended strand (participates in β ladder)trans76.7179.8-17700000114.1Y402 N434 A438Y402-G436 PolarHBondContact OH-O 3.07Å; N434-G436 WeakPolarHBondContact OD1-CA 3.31Å; N434-G436 PolarHBondContact OD1-N 2.86Å; G436-A438 PolarHBondContact O-N 3.37Å
437V96Very high94.8Very high71 Ų7151.7 Ų51.743%0.4330%0.296SS..EExtended strand (participates in β ladder)trans-71.7116.9-177.5179.80000111F439 R440V437-F439 VanDerWaalsContact CG1-O 3.31Å; V437-F439 WeakPolarHBondContact CG1-O 3.3Å; V437-R440 HydrophobicContact CG1-CG 3.97Å
438A96.3Very high94.5Very high5 Ų554 Ų544%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-77.7-50.3175.700000111.9K393 Y402 M426 F428 G436K393-A438 HydrophobicContact CD-CB 4.25Å; K393-A438 VanDerWaalsContact CD-O 3.23Å; K393-A438 WeakPolarHBondContact CD-O 3.26Å; K393-A438 WeakPolarHBondContact CE-O 3.45Å; K393-A438 PolarHBondContact NZ-O 2.83Å; Y402-A438 HydrophobicContact CD1-CB 4.17Å; Y402-A438 HydrophobicContact CD2-CB 4.24Å; Y402-A438 HydrophobicContact CE1-CB 3.74Å; Y402-A438 HydrophobicContact CE2-CB 3.8Å; Y402-A438 HydrophobicContact CG-CB 4.41Å; M426-A438 PolarHBondContact O-N 2.72Å; F428-A438 HydrophobicContact CD2-CB 3.7Å; F428-A438 HydrophobicContact CE2-CB 3.61Å; G436-A438 PolarHBondContact O-N 3.37Å
439F96.8Very high94.3Very high22 Ų2259 Ų5910%0.09634%0.34CS..EExtended strand (participates in β ladder)trans-133.4153.5-172.2-52-84.5000111.8F385 K393 S394 M426 F428 V437F385-F439 HydrophobicContact CB-CD1 4.38Å; F385-F439 HydrophobicContact CB-CD2 3.77Å; F385-F439 HydrophobicContact CB-CE1 4.38Å; F385-F439 HydrophobicContact CB-CE2 3.76Å; F385-F439 HydrophobicContact CB-CG 4.07Å; F385-F439 HydrophobicContact CB-CZ 4.06Å; F385-F439 HydrophobicContact CD1-CB 4.02Å; F385-F439 AromaticContact CD1-CD1 3.69Å; F385-F439 HydrophobicContact CD1-CD1 3.69Å; F385-F439 HydrophobicContact CD1-CD2 4.38Å; F385-F439 HydrophobicContact CD1-CE1 4.16Å; F385-F439 AromaticContact CD1-CG 3.8Å; F385-F439 HydrophobicContact CD1-CG 3.8Å; F385-F439 HydrophobicContact CE1-CB 4.47Å; F385-F439 HydrophobicContact CE1-CD1 4.49Å; F385-F439 HydrophobicContact CG-CD1 4.47Å; F385-F439 HydrophobicContact CG-CD2 4.41Å; F385-F439 HydrophobicContact CG-CG 4.25Å; K393-F439 HydrophobicContact CB-CE1 4.1Å; K393-F439 HydrophobicContact CB-CE2 4.29Å; K393-F439 HydrophobicContact CB-CZ 3.69Å; K393-F439 HydrophobicContact CD-CE1 4.39Å; K393-F439 HydrophobicContact CG-CE1 4.43Å; K393-F439 HydrophobicContact CG-CZ 4.5Å; S394-F439 VanDerWaalsContact O-CZ 3.32Å; S394-F439 WeakPolarHBondContact O-CZ 3.22Å; M426-F439 HydrophobicContact CB-CB 4.28Å; M426-F439 HydrophobicContact CB-CD2 4.35Å; M426-F439 HydrophobicContact CE-CB 4.4Å; M426-F439 PolarHBondContact N-O 2.98Å; M426-F439 PolarHBondContact O-N 3.06Å; M426-F439 VanDerWaalsContact O-N 3.16Å; F428-F439 HydrophobicContact CE2-CD2 4.22Å; F428-F439 AromaticContact CE2-CE2 3.94Å; F428-F439 HydrophobicContact CE2-CE2 3.94Å; F428-F439 HydrophobicContact CZ-CE2 4.35Å; V437-F439 VanDerWaalsContact CG1-O 3.31Å; V437-F439 WeakPolarHBondContact CG1-O 3.3Å
440R95.3Very high94.2Very high159 Ų15959.1 Ų59.160%0.634%0.341SS*.EExtended strand (participates in β ladder)trans-133.8143.6169.9-58.5-176.3-179.4-151.29.5108.9E423 V424 T425 V437E423-R440 IonicContact OE1-NH1 3.62Å; E423-R440 WeakPolarHBondContact OE2-CD 3.23Å; E423-R440 IonicContact OE2-CZ 2.75Å; E423-R440 IonicContact OE2-NE 3.79Å; E423-R440 IonicContact OE2-NH1 3.75Å; E423-R440 PolarHBondContact OE2-NH1 2.96Å; V424-R440 WeakPolarHBondContact O-CA 3.22Å; T425-R440 HydrophobicContact CG2-CG 4.29Å; V437-R440 HydrophobicContact CG1-CG 3.97Å
441T94.1Very high94.2Very high21 Ų2157.6 Ų57.613%0.12934%0.335CS..EExtended strand (participates in β ladder)trans-146.1170.9169.2-164.40000108.5F385 E423 V424 M426 L446F385-T441 HydrophobicContact CZ-CG2 4.33Å; E423-T441 CarbonylContact C-O 3.57Å; E423-T441 WeakPolarHBondContact CA-O 3.36Å; V424-T441 HydrophobicContact CB-CG2 4.01Å; V424-T441 PolarHBondContact N-O 3.24Å; V424-T441 PolarHBondContact O-N 2.88Å; M426-T441 HydrophobicContact CE-CG2 3.95Å; T441-L446 HydrophobicContact CG2-CD1 3.81Å; T441-L446 HydrophobicContact CG2-CD2 4.27Å; T441-L446 HydrophobicContact CG2-CG 3.89Å
442T93.1Very high94.3Very high56 Ų5655 Ų5534%0.34432%0.32SS..EExtended strand (participates in β ladder)trans-104.2151.5177.866.20000111.4D422 E444 A445 L446D422-T442 WeakPolarHBondContact O-CA 3.47Å; T442-E444 PolarHBondContact O-N 2.77Å; T442-A445 PolarHBondContact O-N 2.99Å; T442-A445 VanDerWaalsContact O-N 3.11Å; T442-A445 VanDerWaalsContact OG1-CB 3.28Å; T442-A445 WeakPolarHBondContact OG1-CB 3.5Å; T442-A445 PolarHBondContact OG1-N 3.28Å; T442-A445 VanDerWaalsContact OG1-N 3.07Å; T442-L446 PolarHBondContact O-N 2.96Å
443K91.3Very high94.5Very high80 Ų8053.4 Ų53.435%0.34830%0.304SS..Hα-helixtrans-57.2-36.5172.9-68.1175-179.3174.30111.8F418 G421 D422 V424 L446 A447F418-K443 WeakPolarHBondContact O-CE 3.46Å; F418-K443 PolarHBondContact O-NZ 3.4Å; G421-K443 WeakPolarHBondContact O-CE 3.28Å; G421-K443 PolarHBondContact O-NZ 3.36Å; D422-K443 PolarHBondContact O-N 2.93Å; V424-K443 HydrophobicContact CG2-CG 3.7Å; K443-L446 PolarHBondContact O-N 3.05Å; K443-A447 PolarHBondContact O-N 2.84Å
444E92.4Very high94.6Very high171 Ų17149.3 Ų49.380%0.79928%0.279SS*.Hα-helixtrans-62.2-46.4173.4-59.2-168.1139.300112.5T442 L446 A447T442-E444 PolarHBondContact O-N 2.77Å; E444-L446 VanDerWaalsContact C-N 3.34Å; E444-L446 PolarHBondContact O-N 2.87Å; E444-A447 WeakPolarHBondContact O-CA 3.46Å; E444-A447 PolarHBondContact O-N 3.34Å
445A92.2Very high94.7Very high41 Ų4145.6 Ų45.634%0.33926%0.259SS..Hα-helixtrans-66.9-35.117900000112F383 T442 A447 R449F383-A445 HydrophobicContact CE1-CB 3.93Å; F383-A445 WeakPolarHBondContact CE1-O 3.27Å; F383-A445 HydrophobicContact CZ-CB 4.12Å; F383-A445 VanDerWaalsContact CZ-O 3.31Å; F383-A445 WeakPolarHBondContact CZ-O 2.85Å; T442-A445 PolarHBondContact O-N 2.99Å; T442-A445 VanDerWaalsContact O-N 3.11Å; T442-A445 VanDerWaalsContact OG1-CB 3.28Å; T442-A445 WeakPolarHBondContact OG1-CB 3.5Å; T442-A445 PolarHBondContact OG1-N 3.28Å; T442-A445 VanDerWaalsContact OG1-N 3.07Å; A445-A447 VanDerWaalsContact C-N 3.29Å; A445-R449 PolarHBondContact O-NH2 3Å
446L91.4Very high94.7Very high5 Ų544.3 Ų44.33%0.02625%0.252CS..Hα-helixtrans-67.8-28.4169.6-71.6173.4000112.3L371 F383 F418 V424 T441 T442 K443 E444 G448 R449 L451L371-L446 HydrophobicContact CD2-CD2 4.26Å; F383-L446 HydrophobicContact CD1-CD2 3.76Å; F383-L446 HydrophobicContact CE1-CD2 4.28Å; F418-L446 HydrophobicContact CE1-CD1 4.07Å; V424-L446 HydrophobicContact CB-CD1 4.23Å; V424-L446 HydrophobicContact CG1-CD1 4.36Å; V424-L446 HydrophobicContact CG2-CD1 3.92Å; T441-L446 HydrophobicContact CG2-CD1 3.81Å; T441-L446 HydrophobicContact CG2-CD2 4.27Å; T441-L446 HydrophobicContact CG2-CG 3.89Å; T442-L446 PolarHBondContact O-N 2.96Å; K443-L446 PolarHBondContact O-N 3.05Å; E444-L446 VanDerWaalsContact C-N 3.34Å; E444-L446 PolarHBondContact O-N 2.87Å; L446-G448 PolarHBondContact O-N 2.87Å; L446-R449 WeakPolarHBondContact O-CB 3.22Å; L446-R449 VanDerWaalsContact O-CG 3.22Å; L446-R449 WeakPolarHBondContact O-CG 3.27Å; L446-R449 PolarHBondContact O-N 3.35Å; L446-R449 PolarHBondContact O-NE 3.43Å; L446-L451 HydrophobicContact CD1-CD1 3.98Å; L446-L451 HydrophobicContact CD2-CD1 4.02Å; L446-L451 HydrophobicContact CD2-CD2 4.36Å; L446-L451 HydrophobicContact CD2-CG 4.14Å
447A91.5Very high94.8Very high76 Ų7642.7 Ų42.763%0.62824%0.236SC*.THydrogen-bonded Turntrans52.338.517800000113.3K443 E444 A445 R449K443-A447 PolarHBondContact O-N 2.84Å; E444-A447 WeakPolarHBondContact O-CA 3.46Å; E444-A447 PolarHBondContact O-N 3.34Å; A445-A447 VanDerWaalsContact C-N 3.29Å; A447-R449 VanDerWaalsContact C-N 3.27Å; A447-R449 PolarHBondContact O-N 3.05Å
448G89.6Confident94.7Very high61 Ų6139.7 Ų39.763%0.62922%0.217SC*.THydrogen-bonded Turntrans738.3-176.900000115.5T336 L446T336-G448 WeakPolarHBondContact CG2-O 3.48Å; L446-G448 PolarHBondContact O-N 2.87Å
449R94.3Very high94.6Very high106 Ų10639.4 Ų39.440%0.422%0.215SC..PPolyproline II helixtrans-77.5131.3176.2-59.8172.8-69160.63.3110.4L371 F383 A445 L446 A447L371-R449 HydrophobicContact CD2-CB 3.88Å; F383-R449 VanDerWaalsContact CE2-NH2 3.28Å; F383-R449 VanDerWaalsContact CZ-NH2 3.32Å; A445-R449 PolarHBondContact O-NH2 3Å; L446-R449 WeakPolarHBondContact O-CB 3.22Å; L446-R449 VanDerWaalsContact O-CG 3.22Å; L446-R449 WeakPolarHBondContact O-CG 3.27Å; L446-R449 PolarHBondContact O-N 3.35Å; L446-R449 PolarHBondContact O-NE 3.43Å; A447-R449 VanDerWaalsContact C-N 3.27Å; A447-R449 PolarHBondContact O-N 3.05Å
450A95.7Very high94.6Very high10 Ų1038.5 Ų38.58%0.08321%0.211CC..PPolyproline II helixtrans-73.2142.7-17800000113.4V335 T336 L371 F452 I492V335-A450 WeakPolarHBondContact O-CA 3.47Å; T336-A450 HydrophobicContact CG2-CB 3.8Å; L371-A450 WeakPolarHBondContact CD2-O 3.38Å; A450-F452 HydrophobicContact CB-CE2 3.8Å; A450-F452 HydrophobicContact CB-CZ 4.38Å; A450-F452 WeakPolarHBondContact O-CD2 3.39Å; A450-F452 WeakPolarHBondContact O-CE2 3.46Å; A450-I492 HydrophobicContact CB-CB 3.94Å; A450-I492 HydrophobicContact CB-CD1 4.13Å; A450-I492 HydrophobicContact CB-CG2 3.97Å
451L96.9Very high94.7Very high0 Ų031.6 Ų31.60%019%0.189CC..EExtended strand (participates in β ladder)trans-99.1131.2172.1-75.4167.5000110.3G334 V335 W369 L371 F385 I416 F418 M426 L446G334-L451 CarbonylContact C-O 3.54Å; G334-L451 WeakPolarHBondContact CA-O 3.46Å; V335-L451 PolarHBondContact N-O 2.66Å; V335-L451 PolarHBondContact O-N 3.31Å; W369-L451 HydrophobicContact CB-CB 4.45Å; W369-L451 HydrophobicContact CB-CD2 4.37Å; L371-L451 HydrophobicContact CD2-CD2 3.85Å; L371-L451 HydrophobicContact CD2-CG 4.32Å; L371-L451 HydrophobicContact CG-CD2 4.45Å; F385-L451 HydrophobicContact CD2-CD2 4.27Å; F385-L451 HydrophobicContact CE2-CD2 4.2Å; I416-L451 HydrophobicContact CD1-CB 4.3Å; I416-L451 HydrophobicContact CD1-CD1 3.52Å; F418-L451 HydrophobicContact CZ-CD1 4.31Å; M426-L451 HydrophobicContact CE-CD1 4.3Å; M426-L451 HydrophobicContact SD-CD1 4.44Å; L446-L451 HydrophobicContact CD1-CD1 3.98Å; L446-L451 HydrophobicContact CD2-CD1 4.02Å; L446-L451 HydrophobicContact CD2-CD2 4.36Å; L446-L451 HydrophobicContact CD2-CG 4.14Å
452F97.6Very high94.9Very high5 Ų530.7 Ų30.72%0.02218%0.183CC..EExtended strand (participates in β ladder)trans-110.4138.4-174.4-69-106.7000109.8H333 W369 S370 N372 A450 H454 G494H333-F452 VanDerWaalsContact O-CD1 3.26Å; H333-F452 WeakPolarHBondContact O-CD1 3.47Å; W369-F452 WeakPolarHBondContact CA-O 3.34Å; S370-F452 PolarHBondContact N-O 2.64Å; S370-F452 PolarHBondContact O-N 2.82Å; N372-F452 HydrophobicContact CB-CD2 4.16Å; N372-F452 HydrophobicContact CB-CE2 3.64Å; N372-F452 HydrophobicContact CB-CZ 4.01Å; A450-F452 HydrophobicContact CB-CE2 3.8Å; A450-F452 HydrophobicContact CB-CZ 4.38Å; A450-F452 WeakPolarHBondContact O-CD2 3.39Å; A450-F452 WeakPolarHBondContact O-CE2 3.46Å; F452-H454 PolarHBondContact O-N 3.47Å; F452-G494 VanDerWaalsContact CE1-CA 3.49Å
453P97.6Very high95.1Very high3 Ų329.9 Ų29.92%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-50.7127.6163.4-26.935.3000110.7R330 A331 H333 Y342 W369 F466 F483R330-P453 CarbonylContact C-O 3.55Å; R330-P453 VanDerWaalsContact CA-O 3.23Å; R330-P453 WeakPolarHBondContact CA-O 3.27Å; A331-P453 HydrophobicContact CB-CB 3.8Å; A331-P453 HydrophobicContact CB-CG 3.94Å; A331-P453 PolarHBondContact N-O 2.6Å; H333-P453 WeakPolarHBondContact O-CD 3.45Å; Y342-P453 HydrophobicContact CD1-CB 4.12Å; Y342-P453 HydrophobicContact CD1-CG 4Å; Y342-P453 HydrophobicContact CD2-CB 4.45Å; Y342-P453 HydrophobicContact CE1-CB 3.64Å; Y342-P453 HydrophobicContact CE1-CG 3.9Å; Y342-P453 HydrophobicContact CE2-CB 4.01Å; W369-P453 HydrophobicContact CE3-CG 4.38Å; W369-P453 HydrophobicContact CH2-CG 4.43Å; W369-P453 HydrophobicContact CZ3-CG 3.77Å; P453-F466 HydrophobicContact CB-CE1 3.84Å; P453-F466 HydrophobicContact CG-CE1 4.03Å; P453-F483 HydrophobicContact CG-CD2 3.87Å; P453-F483 HydrophobicContact CG-CE2 3.71Å; P453-F483 HydrophobicContact CG-CZ 4.35Å
454H97.9Very high95.3Very high1 Ų126.4 Ų26.41%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-139.7135.2-176-171.5-177.4000109.5A329 R330 G368 S370 S375 T376 L378 F452A329-H454 PolarHBondContact O-CD2 3.04Å; A329-H454 VanDerWaalsContact O-CD2 3.31Å; R330-H454 HydrophobicContact CG-CB 3.99Å; G368-H454 PolarHBondContact N-O 2.89Å; G368-H454 PolarHBondContact O-N 2.93Å; S370-H454 WeakPolarHBondContact CB-ND1 3.29Å; S370-H454 PolarHBondContact OG-ND1 3.21Å; S375-H454 PolarHBondContact O-CE1 3.22Å; T376-H454 VanDerWaalsContact CA-NE2 3.28Å; T376-H454 WeakPolarHBondContact CA-NE2 3.43Å; T376-H454 PolarHBondContact O-CE1 2.88Å; T376-H454 PolarHBondContact O-NE2 3.02Å; L378-H454 WeakPolarHBondContact CA-CE1 3.39Å; L378-H454 HydrophobicContact CD1-CB 4.16Å; L378-H454 HydrophobicContact CD2-CB 4.46Å; L378-H454 WeakPolarHBondContact CD2-O 3.16Å; L378-H454 PolarHBondContact N-CE1 3.43Å; F452-H454 PolarHBondContact O-N 3.47Å
455V97.6Very high95.5Very high2 Ų218.3 Ų18.31%0.01212%0.122CC..EExtended strand (participates in β ladder)trans-121.8151.4170.176.50000111.1F305 G328 A329 M344 V365 R366 I367 V457 F464F305-V455 HydrophobicContact CE2-CG1 4.49Å; F305-V455 HydrophobicContact CZ-CG1 4.47Å; G328-V455 CarbonylContact C-O 3.54Å; G328-V455 WeakPolarHBondContact CA-O 3.39Å; A329-V455 HydrophobicContact CB-CG1 4.21Å; A329-V455 PolarHBondContact N-O 3.2Å; A329-V455 PolarHBondContact O-N 2.94Å; M344-V455 HydrophobicContact SD-CG2 3.84Å; V365-V455 HydrophobicContact CG1-CG2 3.74Å; R366-V455 CarbonylContact O-C 3.52Å; R366-V455 WeakPolarHBondContact O-CA 3.46Å; R366-V455 VanDerWaalsContact O-CG2 3.26Å; R366-V455 WeakPolarHBondContact O-CG2 3.47Å; I367-V455 HydrophobicContact CB-CG2 4.48Å; V455-V457 HydrophobicContact CB-CG2 4.49Å; V455-V457 HydrophobicContact CG1-CG2 4.13Å; V455-V457 HydrophobicContact CG2-CG2 3.62Å; V455-F464 HydrophobicContact CB-CE1 4.3Å; V455-F464 HydrophobicContact CB-CZ 3.63Å; V455-F464 HydrophobicContact CG1-CE2 4.2Å; V455-F464 HydrophobicContact CG1-CZ 3.67Å; V455-F464 HydrophobicContact CG2-CZ 3.95Å
456L96.6Very high95.6Very high2 Ų216.5 Ų16.51%0.0111%0.107CC..EExtended strand (participates in β ladder)trans-133.8118.1170.5178.370.4000108.1W326 R366 L378W326-L456 HydrophobicContact CB-CD1 3.65Å; W326-L456 HydrophobicContact CB-CG 4.08Å; W326-L456 HydrophobicContact CD2-CD2 4.39Å; W326-L456 HydrophobicContact CD2-CG 4.37Å; W326-L456 HydrophobicContact CE3-CD2 4.11Å; W326-L456 HydrophobicContact CE3-CG 3.84Å; R366-L456 HydrophobicContact CB-CB 4.32Å; R366-L456 PolarHBondContact N-O 2.92Å; R366-L456 PolarHBondContact O-N 2.83Å; L378-L456 HydrophobicContact CB-CB 3.79Å; L378-L456 HydrophobicContact CB-CD2 4.39Å
457V95.8Very high95.6Very high0 Ų016.9 Ų16.90%011%0.112CC..EExtended strand (participates in β ladder)trans-123.2137.9-168.5-174.60000111.4F305 P316 W326 A327 V365 V455 C460 V462F305-V457 HydrophobicContact CE2-CB 4.48Å; F305-V457 HydrophobicContact CE2-CG2 4.16Å; P316-V457 HydrophobicContact CG-CG1 4.12Å; W326-V457 WeakPolarHBondContact CA-O 3.19Å; A327-V457 PolarHBondContact N-O 3.39Å; A327-V457 PolarHBondContact O-N 2.88Å; V365-V457 HydrophobicContact CG1-CG2 4.32Å; V365-V457 HydrophobicContact CG2-CG1 4.14Å; V365-V457 HydrophobicContact CG2-CG2 4.44Å; V455-V457 HydrophobicContact CB-CG2 4.49Å; V455-V457 HydrophobicContact CG1-CG2 4.13Å; V455-V457 HydrophobicContact CG2-CG2 3.62Å; V457-C460 HydrophobicContact CG1-CB 3.82Å; V457-C460 WeakPolarHBondContact CG1-O 3.28Å; V457-V462 HydrophobicContact CG2-CG1 4.16Å; V457-V462 HydrophobicContact CG2-CG2 4Å
458K94.3Very high95.5Very high7 Ų715.5 Ų15.53%0.039%0.092CC..EExtended strand (participates in β ladder)trans-122.1114.2168.2-176.7-166.8177.4-172.40108W326 E359 P360 D361 P362 V364 C460W326-K458 HydrophobicContact CD2-CB 3.89Å; W326-K458 HydrophobicContact CE3-CB 3.66Å; W326-K458 HydrophobicContact CG-CB 4.49Å; W326-K458 HydrophobicContact CH2-CB 4.45Å; W326-K458 HydrophobicContact CZ2-CD 4.36Å; W326-K458 HydrophobicContact CZ3-CB 3.97Å; E359-K458 IonicContact OE1-NZ 3.82Å; E359-K458 PolarHBondContact OE1-NZ 2.74Å; P360-K458 PolarHBondContact O-NZ 3.19Å; D361-K458 PolarHBondContact O-NZ 2.95Å; P362-K458 WeakPolarHBondContact O-CD 3.47Å; P362-K458 WeakPolarHBondContact O-CE 3.24Å; P362-K458 WeakPolarHBondContact O-CG 3.47Å; V364-K458 PolarHBondContact N-O 3.16Å; V364-K458 PolarHBondContact O-N 3Å; K458-C460 VanDerWaalsContact C-N 3.25Å; K458-C460 PolarHBondContact O-N 3.3Å; K458-C460 VanDerWaalsContact O-N 3.08Å; K458-C460 PolarHBondContact O-SG 3.48Å
459N95.1Very high95.5Very high0 Ų015.4 Ų15.40%08%0.075CC..SBendtrans56.513.4175.4-54.4-42000118.7T318 A323 I350 V352 P362 H363T318-N459 HydrophobicContact CG2-CB 4.3Å; T318-N459 WeakPolarHBondContact CG2-OD1 3.37Å; A323-N459 WeakPolarHBondContact CA-OD1 3.23Å; A323-N459 PolarHBondContact O-ND2 3.22Å; I350-N459 WeakPolarHBondContact CB-O 3.31Å; I350-N459 WeakPolarHBondContact CG1-O 3.41Å; I350-N459 PolarHBondContact N-O 3.14Å; V352-N459 HydrophobicContact CG1-CB 4.1Å; V352-N459 HydrophobicContact CG2-CB 4.33Å; P362-N459 WeakPolarHBondContact O-CB 3.33Å; P362-N459 PolarHBondContact O-ND2 3.21Å; H363-N459 PolarHBondContact CD2-O 3.2Å; H363-N459 VanDerWaalsContact CD2-O 3.29Å
460C96.7Very high95.1Very high2 Ų221.5 Ų21.51%0.01410%0.098CC..EExtended strand (participates in β ladder)trans-106.6153.6174-52.40000112.4P316 I346 E348 V365 V457 K458P316-C460 WeakPolarHBondContact CD-O 3.34Å; I346-C460 HydrophobicContact CG2-CB 4.13Å; E348-C460 CarbonylContact O-C 3.4Å; E348-C460 VanDerWaalsContact O-CA 3.29Å; E348-C460 WeakPolarHBondContact O-CA 3.32Å; V365-C460 HydrophobicContact CG2-CB 3.62Å; V457-C460 HydrophobicContact CG1-CB 3.82Å; V457-C460 WeakPolarHBondContact CG1-O 3.28Å; K458-C460 VanDerWaalsContact C-N 3.25Å; K458-C460 PolarHBondContact O-N 3.3Å; K458-C460 VanDerWaalsContact O-N 3.08Å; K458-C460 PolarHBondContact O-SG 3.48Å
461A97.3Very high94.7Very high15 Ų1527.4 Ų27.412%0.12412%0.124CC..EExtended strand (participates in β ladder)trans-93.1136161.600000110N347 E348 I350N347-A461 PolarHBondContact N-O 3.35Å; E348-A461 HydrophobicContact CB-CB 4Å; E348-A461 PolarHBondContact O-N 3.47Å; I350-A461 HydrophobicContact CD1-CB 4.41Å
462V97.6Very high94.4Very high1 Ų129.9 Ų29.91%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-130.6149.6-177.6-65.70000111.7F305 S313 G314 M344 K345 I346 V365 V457 F464F305-V462 HydrophobicContact CZ-CG2 4.35Å; S313-V462 CarbonylContact C-O 3.59Å; S313-V462 VanDerWaalsContact CA-O 3.29Å; S313-V462 WeakPolarHBondContact CA-O 3.05Å; G314-V462 PolarHBondContact N-O 2.78Å; G314-V462 WeakPolarHBondContact O-CG2 3.24Å; G314-V462 PolarHBondContact O-N 2.82Å; M344-V462 HydrophobicContact CG-CB 4.05Å; M344-V462 HydrophobicContact CG-CG1 4.44Å; M344-V462 HydrophobicContact SD-CB 3.88Å; M344-V462 HydrophobicContact SD-CG1 3.74Å; K345-V462 WeakPolarHBondContact O-CA 3.41Å; I346-V462 HydrophobicContact CG1-CG1 4.45Å; V365-V462 HydrophobicContact CG1-CG1 4.15Å; V365-V462 HydrophobicContact CG2-CG1 3.7Å; V457-V462 HydrophobicContact CG2-CG1 4.16Å; V457-V462 HydrophobicContact CG2-CG2 4Å; V462-F464 HydrophobicContact CB-CE2 4.37Å; V462-F464 HydrophobicContact CG2-CE2 3.8Å; V462-F464 HydrophobicContact CG2-CZ 4.26Å
463E97.1Very high94.2Very high40 Ų4033 Ų3319%0.18715%0.152CC..EExtended strand (participates in β ladder)trans-133.5134.8178.7176.6179.4-173.200110S313 M344 K345 N347 K469 Y473S313-E463 WeakPolarHBondContact OG-CG 3.28Å; M344-E463 CarbonylContact C-O 3.32Å; M344-E463 WeakPolarHBondContact CA-O 3.42Å; M344-E463 WeakPolarHBondContact CG-O 3.2Å; K345-E463 PolarHBondContact N-O 2.85Å; K345-E463 PolarHBondContact O-N 2.81Å; N347-E463 VanDerWaalsContact ND2-CB 3.35Å; N347-E463 WeakPolarHBondContact ND2-CB 3.1Å; N347-E463 PolarHBondContact ND2-OE2 2.69Å; E463-K469 VanDerWaalsContact CD-NZ 3.31Å; E463-K469 VanDerWaalsContact OE1-CE 3.25Å; E463-K469 WeakPolarHBondContact OE1-CE 3.48Å; E463-K469 IonicContact OE1-NZ 2.76Å; E463-K469 PolarHBondContact OE1-NZ 3.16Å; E463-K469 IonicContact OE2-NZ 3.85Å; E463-Y473 PolarHBondContact OE2-OH 2.91Å
464F96.8Very high93.9Very high7 Ų735.9 Ų35.93%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-105.2136.2-177.3-67-90.6000111.9I296 Y312 Y342 E343 M344 I367 V455 V462 F466 Q468I296-F464 HydrophobicContact CD1-CD2 3.83Å; I296-F464 HydrophobicContact CD1-CE2 4.15Å; I296-F464 HydrophobicContact CG1-CD2 4.04Å; I296-F464 HydrophobicContact CG1-CE2 4.47Å; Y312-F464 WeakPolarHBondContact O-CD2 3.31Å; Y312-F464 PolarHBondContact O-N 3.29Å; Y342-F464 HydrophobicContact CD2-CD1 4.06Å; Y342-F464 AromaticContact CE2-CD1 3.83Å; Y342-F464 HydrophobicContact CE2-CD1 3.83Å; Y342-F464 AromaticContact CE2-CE1 3.97Å; Y342-F464 HydrophobicContact CE2-CE1 3.97Å; E343-F464 WeakPolarHBondContact O-CA 3.05Å; M344-F464 HydrophobicContact CB-CD1 3.87Å; M344-F464 HydrophobicContact CB-CE1 3.72Å; M344-F464 HydrophobicContact CB-CZ 4.32Å; M344-F464 HydrophobicContact CG-CD1 4.1Å; M344-F464 HydrophobicContact CG-CE1 3.69Å; M344-F464 HydrophobicContact CG-CE2 4.28Å; M344-F464 HydrophobicContact CG-CZ 3.75Å; M344-F464 HydrophobicContact SD-CE1 4.05Å; M344-F464 HydrophobicContact SD-CZ 3.83Å; I367-F464 HydrophobicContact CD1-CE1 4.02Å; V455-F464 HydrophobicContact CB-CE1 4.3Å; V455-F464 HydrophobicContact CB-CZ 3.63Å; V455-F464 HydrophobicContact CG1-CE2 4.2Å; V455-F464 HydrophobicContact CG1-CZ 3.67Å; V455-F464 HydrophobicContact CG2-CZ 3.95Å; V462-F464 HydrophobicContact CB-CE2 4.37Å; V462-F464 HydrophobicContact CG2-CE2 3.8Å; V462-F464 HydrophobicContact CG2-CZ 4.26Å; F464-F466 HydrophobicContact CB-CD2 4.12Å; F464-F466 HydrophobicContact CB-CE1 4.36Å; F464-F466 HydrophobicContact CB-CE2 3.53Å; F464-F466 HydrophobicContact CB-CZ 3.66Å; F464-F466 HydrophobicContact CD1-CE1 4.29Å; F464-F466 AromaticContact CD1-CZ 3.95Å; F464-F466 HydrophobicContact CD1-CZ 3.95Å; F464-F466 HydrophobicContact CG-CE2 4.17Å; F464-F466 AromaticContact CG-CZ 3.85Å; F464-F466 HydrophobicContact CG-CZ 3.85Å; F464-Q468 PolarHBondContact O-NE2 2.92Å
465N96Very high93.5Very high1 Ų140.8 Ų40.81%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-111.2103.8161.6177.835.4000108.9E343 G467 Q468 K469 Y473E343-N465 HydrophobicContact CB-CB 4.23Å; E343-N465 PolarHBondContact N-O 3.35Å; E343-N465 PolarHBondContact O-N 3.3Å; E343-N465 PolarHBondContact OE2-ND2 3.28Å; N465-G467 VanDerWaalsContact C-N 3.26Å; N465-G467 WeakPolarHBondContact OD1-CA 3.38Å; N465-G467 PolarHBondContact OD1-N 3.11Å; N465-Q468 PolarHBondContact OD1-N 3.45Å; N465-Q468 PolarHBondContact OD1-OE1 3.05Å; N465-K469 HydrophobicContact CB-CD 4.1Å; N465-K469 HydrophobicContact CB-CG 4.26Å; N465-K469 PolarHBondContact OD1-N 3.22Å; N465-Y473 HydrophobicContact CB-CD2 4.36Å; N465-Y473 HydrophobicContact CB-CE2 4.25Å
466F95.1Very high93Very high2 Ų243.3 Ų43.31%0.00921%0.213CC..SBendtrans-83.6-2.9171-60.7-69.3000112.3V294 Y312 A331 Y342 P453 F464 F482 F483 H484V294-F466 HydrophobicContact CB-CB 4.37Å; V294-F466 HydrophobicContact CB-CG 4.47Å; V294-F466 HydrophobicContact CG1-CB 4.09Å; V294-F466 HydrophobicContact CG1-CD1 3.97Å; V294-F466 HydrophobicContact CG1-CD2 4.19Å; V294-F466 HydrophobicContact CG1-CE1 4.5Å; V294-F466 HydrophobicContact CG1-CG 3.81Å; V294-F466 WeakPolarHBondContact O-CD2 3.43Å; Y312-F466 AromaticContact CD1-CD2 3.92Å; Y312-F466 HydrophobicContact CD1-CD2 3.92Å; Y312-F466 HydrophobicContact CD1-CE2 4.21Å; Y312-F466 HydrophobicContact CE1-CD2 4.05Å; A331-F466 HydrophobicContact CB-CE1 4Å; A331-F466 HydrophobicContact CB-CZ 3.88Å; Y342-F466 HydrophobicContact CD2-CD1 4.08Å; Y342-F466 AromaticContact CD2-CE1 3.83Å; Y342-F466 HydrophobicContact CD2-CE1 3.83Å; Y342-F466 HydrophobicContact CE2-CE1 4.35Å; Y342-F466 HydrophobicContact CG-CD1 4.05Å; Y342-F466 HydrophobicContact CG-CE1 4.15Å; P453-F466 HydrophobicContact CB-CE1 3.84Å; P453-F466 HydrophobicContact CG-CE1 4.03Å; F464-F466 HydrophobicContact CB-CD2 4.12Å; F464-F466 HydrophobicContact CB-CE1 4.36Å; F464-F466 HydrophobicContact CB-CE2 3.53Å; F464-F466 HydrophobicContact CB-CZ 3.66Å; F464-F466 HydrophobicContact CD1-CE1 4.29Å; F464-F466 AromaticContact CD1-CZ 3.95Å; F464-F466 HydrophobicContact CD1-CZ 3.95Å; F464-F466 HydrophobicContact CG-CE2 4.17Å; F464-F466 AromaticContact CG-CZ 3.85Å; F464-F466 HydrophobicContact CG-CZ 3.85Å; F466-F482 CarbonylContact O-C 3.56Å; F466-F482 WeakPolarHBondContact O-CB 3.29Å; F466-F483 HydrophobicContact CB-CB 4.35Å; F466-F483 HydrophobicContact CD1-CB 4.49Å; F466-F483 PolarHBondContact O-N 3.46Å; F466-H484 HydrophobicContact CB-CB 4.33Å; F466-H484 VanDerWaalsContact O-CB 3.26Å; F466-H484 WeakPolarHBondContact O-CB 3.28Å; F466-H484 PolarHBondContact O-N 3.43Å
467G91.3Very high92.7Very high13 Ų1346 Ų4613%0.13423%0.225CC..SBendtrans117.8-7.1-168.400000113.3N465 K469N465-G467 VanDerWaalsContact C-N 3.26Å; N465-G467 WeakPolarHBondContact OD1-CA 3.38Å; N465-G467 PolarHBondContact OD1-N 3.11Å; G467-K469 PolarHBondContact O-N 3.37Å
468Q89.9Confident92.2Very high47 Ų4755 Ų5522%0.2227%0.267CS..  trans-71.9-11.7-178.383.2-75.2-5.700113.9Y312 F464 N465Y312-Q468 VanDerWaalsContact CD1-CD 3.42Å; Y312-Q468 HydrophobicContact CD1-CG 3.97Å; Y312-Q468 HydrophobicContact CD2-CG 4.14Å; Y312-Q468 HydrophobicContact CE1-CB 4.21Å; Y312-Q468 VanDerWaalsContact CE1-CD 3.45Å; Y312-Q468 HydrophobicContact CE1-CG 3.61Å; Y312-Q468 HydrophobicContact CE2-CG 3.83Å; Y312-Q468 HydrophobicContact CG-CG 4.22Å; Y312-Q468 VanDerWaalsContact CG-NE2 3.33Å; F464-Q468 PolarHBondContact O-NE2 2.92Å; N465-Q468 PolarHBondContact OD1-N 3.45Å; N465-Q468 PolarHBondContact OD1-OE1 3.05Å
469K89.1Confident91.9Very high60 Ų6057.5 Ų57.526%0.26129%0.294SS..SBendtrans-81.9137.1178.1-66.2-165.1172.6-161.50110.2E463 N465 G467 E471 Y473E463-K469 VanDerWaalsContact CD-NZ 3.31Å; E463-K469 VanDerWaalsContact OE1-CE 3.25Å; E463-K469 WeakPolarHBondContact OE1-CE 3.48Å; E463-K469 IonicContact OE1-NZ 2.76Å; E463-K469 PolarHBondContact OE1-NZ 3.16Å; E463-K469 IonicContact OE2-NZ 3.85Å; N465-K469 HydrophobicContact CB-CD 4.1Å; N465-K469 HydrophobicContact CB-CG 4.26Å; N465-K469 PolarHBondContact OD1-N 3.22Å; G467-K469 PolarHBondContact O-N 3.37Å; K469-E471 WeakPolarHBondContact CB-O 3.31Å; K469-E471 PolarHBondContact O-N 3.47Å; K469-Y473 HydrophobicContact CD-CE2 4.35Å; K469-Y473 PolarHBondContact NZ-OH 3.02Å
470R85.8Confident91.9Very high234 Ų23459.5 Ų59.588%0.88330%0.302SS*.SBendtrans-51.9-38.9175.9173.2-177.6161.3151.87.9112.6
471E87.6Confident91.8Very high134 Ų13462.4 Ų62.463%0.62632%0.32SS*.SBendtrans-128.7125.8174.8-77.3147.5-134.900106.7K469K469-E471 WeakPolarHBondContact CB-O 3.31Å; K469-E471 PolarHBondContact O-N 3.47Å
472P90.8Very high91.6Very high51 Ų5162.5 Ų62.533%0.33132%0.318SS..  trans-72167.6173.633.4-36.4000110.4F474 F482P472-F474 WeakPolarHBondContact CB-O 3.46Å; P472-F474 WeakPolarHBondContact CG-O 3.25Å; P472-F482 HydrophobicContact CB-CE2 3.72Å; P472-F482 HydrophobicContact CB-CZ 3.6Å; P472-F482 HydrophobicContact CG-CE2 4.1Å; P472-F482 HydrophobicContact CG-CZ 4.42Å
473Y91.6Very high91.3Very high71 Ų7162.4 Ų62.428%0.27832%0.317SS..SBendtrans-70.4-38176.5-64.9-84.6000111.2E343 K345 V411 E463 N465 K469E343-Y473 HydrophobicContact CB-CD2 4.46Å; E343-Y473 WeakPolarHBondContact OE1-CB 3.37Å; E343-Y473 PolarHBondContact OE1-N 3.48Å; E343-Y473 WeakPolarHBondContact OE2-CD2 3.39Å; E343-Y473 PolarHBondContact OE2-N 2.56Å; K345-Y473 HydrophobicContact CB-CE1 4.28Å; K345-Y473 HydrophobicContact CB-CE2 4.11Å; K345-Y473 HydrophobicContact CD-CE1 3.84Å; V411-Y473 HydrophobicContact CG1-CD2 4.01Å; V411-Y473 HydrophobicContact CG1-CG 4.03Å; V411-Y473 HydrophobicContact CG2-CD1 3.98Å; V411-Y473 HydrophobicContact CG2-CD2 4.49Å; V411-Y473 HydrophobicContact CG2-CE1 4.49Å; V411-Y473 HydrophobicContact CG2-CG 3.97Å; E463-Y473 PolarHBondContact OE2-OH 2.91Å; N465-Y473 HydrophobicContact CB-CD2 4.36Å; N465-Y473 HydrophobicContact CB-CE2 4.25Å; K469-Y473 HydrophobicContact CD-CE2 4.35Å; K469-Y473 PolarHBondContact NZ-OH 3.02Å
474F92.5Very high90.8Very high64 Ų6462.9 Ų62.928%0.28132%0.319SS..SBendtrans-133.4150.2174.4-64.8-87.2000110.4E343 V411 N431 P472E343-F474 PolarHBondContact OE1-N 3.05Å; V411-F474 HydrophobicContact CB-CD2 4.3Å; V411-F474 HydrophobicContact CB-CE2 3.88Å; V411-F474 HydrophobicContact CG1-CD2 4.24Å; V411-F474 HydrophobicContact CG1-CE2 4.3Å; V411-F474 HydrophobicContact CG2-CE2 4.11Å; N431-F474 VanDerWaalsContact CA-CZ 3.42Å; N431-F474 HydrophobicContact CB-CE2 4.37Å; N431-F474 HydrophobicContact CB-CZ 3.89Å; N431-F474 VanDerWaalsContact O-CE1 3.23Å; N431-F474 WeakPolarHBondContact O-CE1 3.45Å; P472-F474 WeakPolarHBondContact CB-O 3.46Å; P472-F474 WeakPolarHBondContact CG-O 3.25Å
475P88.4Confident90.5Very high103 Ų10367.2 Ų67.267%0.66934%0.343SS*.PPolyproline II helixtrans-63.2144.1173.327.9-34.5000110.5
476P88.4Confident90.2Very high56 Ų5668 Ų6836%0.36435%0.347SS..PPolyproline II helixtrans-69.8147.7176.130.2-33.8000111.1F482P476-F482 HydrophobicContact CB-CD2 4.49Å; P476-F482 HydrophobicContact CB-CE2 4.15Å; P476-F482 HydrophobicContact CG-CD2 4.4Å; P476-F482 HydrophobicContact CG-CE2 4.12Å
477E88.7Confident90Very high58 Ų5871.4 Ų71.427%0.27137%0.369SS..PPolyproline II helixtrans-62.2153.4172.9-63.5-163.8141.200112.4Y415 L429 N434 G479 Y480Y415-E477 HydrophobicContact CE1-CB 3.9Å; Y415-E477 HydrophobicContact CE1-CG 3.87Å; Y415-E477 PolarHBondContact OH-N 2.88Å; L429-E477 HydrophobicContact CD2-CG 3.94Å; N434-E477 PolarHBondContact ND2-OE1 2.88Å; N434-E477 PolarHBondContact ND2-OE2 2.84Å; E477-G479 PolarHBondContact O-N 2.84Å; E477-Y480 HydrophobicContact CB-CD2 3.75Å; E477-Y480 HydrophobicContact CB-CE2 4.17Å; E477-Y480 WeakPolarHBondContact O-CB 3.48Å; E477-Y480 PolarHBondContact O-N 2.82Å
478E86.4Confident89.8Confident190 Ų19075.8 Ų75.889%0.88839%0.387SS*.THydrogen-bonded Turntrans-55.3125-174.9-67.3-170.116700112.8Y480E478-Y480 VanDerWaalsContact C-N 3.32Å; E478-Y480 PolarHBondContact O-N 2.84Å
479G88.9Confident89.8Confident58 Ų5881.8 Ų81.860%0.59842%0.415SS*.THydrogen-bonded Turntrans81.8-1.8-179.300000115.5R339 E477R339-G479 VanDerWaalsContact CB-O 3.31Å; R339-G479 WeakPolarHBondContact CB-O 3.43Å; E477-G479 PolarHBondContact O-N 2.84Å
480Y93.8Very high89.9Confident42 Ų4280.6 Ų80.617%0.16541%0.412CS..  trans-88.1140.2170.3-72.1-94.3000112R339 Y415 D417 E477 E478R339-Y480 HydrophobicContact CB-CD1 3.7Å; R339-Y480 HydrophobicContact CB-CE1 3.99Å; R339-Y480 HydrophobicContact CB-CG 4.07Å; R339-Y480 HydrophobicContact CG-CD1 4.45Å; R339-Y480 HydrophobicContact CG-CE1 4.27Å; Y415-Y480 AromaticContact CD1-CD1 3.52Å; Y415-Y480 HydrophobicContact CD1-CD1 3.52Å; Y415-Y480 AromaticContact CD1-CD2 3.88Å; Y415-Y480 HydrophobicContact CD1-CD2 3.88Å; Y415-Y480 AromaticContact CD1-CE1 3.72Å; Y415-Y480 HydrophobicContact CD1-CE1 3.72Å; Y415-Y480 HydrophobicContact CD1-CE2 4.03Å; Y415-Y480 AromaticContact CD1-CG 3.59Å; Y415-Y480 HydrophobicContact CD1-CG 3.59Å; Y415-Y480 AromaticContact CD1-CZ 3.94Å; Y415-Y480 HydrophobicContact CE1-CD1 4.21Å; Y415-Y480 HydrophobicContact CE1-CD2 4.11Å; Y415-Y480 AromaticContact CE1-CG 3.86Å; Y415-Y480 HydrophobicContact CE1-CG 3.86Å; Y415-Y480 HydrophobicContact CG-CD1 4.47Å; Y415-Y480 HydrophobicContact CG-CE1 4.4Å; D417-Y480 HydrophobicContact CB-CE1 4.4Å; E477-Y480 HydrophobicContact CB-CD2 3.75Å; E477-Y480 HydrophobicContact CB-CE2 4.17Å; E477-Y480 WeakPolarHBondContact O-CB 3.48Å; E477-Y480 PolarHBondContact O-N 2.82Å; E478-Y480 VanDerWaalsContact C-N 3.32Å; E478-Y480 PolarHBondContact O-N 2.84Å
481T94.1Very high90.2Very high64 Ų6470.3 Ų70.339%0.39337%0.374SS..EExtended strand (participates in β ladder)trans-111.6139.2175.7-54.50000110.1R339 V340 C341 D485 L486R339-T481 PolarHBondContact O-N 2.8Å; V340-T481 WeakPolarHBondContact CA-O 3.12Å; C341-T481 PolarHBondContact N-O 2.93Å; T481-D485 HydrophobicContact CG2-CB 4.07Å; T481-L486 HydrophobicContact CG2-CD2 3.9Å
482F93.9Very high90.5Very high16 Ų1667.4 Ų67.47%0.0736%0.361CS..EExtended strand (participates in β ladder)trans-65.2139.7173.6-91.7-68000111.3E343 F466 P472 P476 H484 D485E343-F482 HydrophobicContact CG-CE1 4.07Å; E343-F482 HydrophobicContact CG-CZ 4.29Å; F466-F482 CarbonylContact O-C 3.56Å; F466-F482 WeakPolarHBondContact O-CB 3.29Å; P472-F482 HydrophobicContact CB-CE2 3.72Å; P472-F482 HydrophobicContact CB-CZ 3.6Å; P472-F482 HydrophobicContact CG-CE2 4.1Å; P472-F482 HydrophobicContact CG-CZ 4.42Å; P476-F482 HydrophobicContact CB-CD2 4.49Å; P476-F482 HydrophobicContact CB-CE2 4.15Å; P476-F482 HydrophobicContact CG-CD2 4.4Å; P476-F482 HydrophobicContact CG-CE2 4.12Å; F482-H484 PolarHBondContact O-N 3.11Å; F482-H484 VanDerWaalsContact O-N 3.1Å; F482-D485 WeakPolarHBondContact CB-OD2 3.26Å; F482-D485 PolarHBondContact O-N 2.83Å
483F90.7Very high90.6Very high0 Ų068.3 Ų68.30%036%0.358CS..THydrogen-bonded Turntrans-53.6-35.2-175-152.9-64.1000113.7V294 H333 V335 V340 C341 W369 P453 F466 D485 K491V294-F483 HydrophobicContact CB-CD1 4.26Å; V294-F483 HydrophobicContact CG1-CD1 3.55Å; V294-F483 HydrophobicContact CG1-CE1 3.96Å; V294-F483 HydrophobicContact CG1-CG 4.26Å; V294-F483 HydrophobicContact CG2-CD1 3.78Å; V294-F483 HydrophobicContact CG2-CE1 4.18Å; H333-F483 HydrophobicContact CB-CE1 3.76Å; H333-F483 HydrophobicContact CB-CZ 4.29Å; H333-F483 WeakPolarHBondContact O-CZ 3.21Å; V335-F483 HydrophobicContact CB-CE2 4.43Å; V335-F483 HydrophobicContact CB-CZ 4.47Å; V335-F483 HydrophobicContact CG1-CE1 4.21Å; V335-F483 HydrophobicContact CG1-CE2 3.77Å; V335-F483 HydrophobicContact CG1-CZ 3.6Å; V335-F483 HydrophobicContact CG2-CE2 3.92Å; V335-F483 HydrophobicContact CG2-CZ 4.4Å; V340-F483 HydrophobicContact CG1-CB 4.08Å; V340-F483 HydrophobicContact CG1-CD2 3.49Å; V340-F483 VanDerWaalsContact CG1-CD2 3.49Å; V340-F483 HydrophobicContact CG1-CE2 4.17Å; V340-F483 HydrophobicContact CG1-CG 4Å; C341-F483 PolarHBondContact O-N 3.07Å; W369-F483 HydrophobicContact CH2-CD2 4.26Å; W369-F483 HydrophobicContact CH2-CE2 4.38Å; W369-F483 HydrophobicContact CZ3-CD2 4.27Å; W369-F483 AromaticContact CZ3-CE2 3.96Å; W369-F483 HydrophobicContact CZ3-CE2 3.96Å; P453-F483 HydrophobicContact CG-CD2 3.87Å; P453-F483 HydrophobicContact CG-CE2 3.71Å; P453-F483 HydrophobicContact CG-CZ 4.35Å; F466-F483 HydrophobicContact CB-CB 4.35Å; F466-F483 HydrophobicContact CD1-CB 4.49Å; F466-F483 PolarHBondContact O-N 3.46Å; F483-D485 VanDerWaalsContact C-N 3.34Å; F483-D485 PolarHBondContact O-N 3.09Å; F483-K491 HydrophobicContact CE1-CG 4.49Å; F483-K491 WeakPolarHBondContact O-CE 3.35Å
484H87.9Confident90.6Very high49 Ų4965.3 Ų65.323%0.22735%0.349CS..THydrogen-bonded Turntrans-67.5-31.7179-166.796.2000112.6F466 F482 K491F466-H484 HydrophobicContact CB-CB 4.33Å; F466-H484 VanDerWaalsContact O-CB 3.26Å; F466-H484 WeakPolarHBondContact O-CB 3.28Å; F466-H484 PolarHBondContact O-N 3.43Å; F482-H484 PolarHBondContact O-N 3.11Å; F482-H484 VanDerWaalsContact O-N 3.1Å; H484-K491 PolarHBondContact O-NZ 2.87Å
485D89.6Confident90.4Very high99 Ų9963.8 Ų63.853%0.52935%0.345SS..THydrogen-bonded Turntrans-87.1-10.8-173.8-56.9-40.9000113.2T481 F482 F483T481-D485 HydrophobicContact CG2-CB 4.07Å; F482-D485 WeakPolarHBondContact CB-OD2 3.26Å; F482-D485 PolarHBondContact O-N 2.83Å; F483-D485 VanDerWaalsContact C-N 3.34Å; F483-D485 PolarHBondContact O-N 3.09Å
486L90.5Very high90.4Very high18 Ų1864.3 Ų64.39%0.09434%0.336CS..SBendtrans-59.9146.4176.1-63.1176.1000112.3V335 V340 T481 K491V335-L486 HydrophobicContact CG1-CD1 3.65Å; V340-L486 HydrophobicContact CB-CD1 4.46Å; V340-L486 HydrophobicContact CG1-CD1 3.79Å; V340-L486 HydrophobicContact CG2-CD1 3.79Å; V340-L486 HydrophobicContact CG2-CD2 4.33Å; T481-L486 HydrophobicContact CG2-CD2 3.9Å; L486-K491 HydrophobicContact CB-CG 4.31Å; L486-K491 WeakPolarHBondContact O-CE 3.41Å; L486-K491 PolarHBondContact O-NZ 2.9Å
487P90.5Very high90.3Very high72 Ų7263.1 Ų63.147%0.46833%0.334SS..  trans-64.7154.3173.129.7-35.9000111.3E489 D490 K491P487-E489 PolarHBondContact O-N 3.24Å; P487-E489 VanDerWaalsContact O-N 3.15Å; P487-D490 HydrophobicContact CG-CB 4.35Å; P487-D490 WeakPolarHBondContact CG-OD2 3.38Å; P487-D490 PolarHBondContact O-N 3.1Å; P487-D490 VanDerWaalsContact O-N 3.1Å; P487-K491 PolarHBondContact O-N 2.86Å
488M87.6Confident90.3Very high106 Ų10661.5 Ų61.552%0.52233%0.329SS..THydrogen-bonded Turntrans-62.6-23.7-179-60.7-59.6153.500113.3D490 K491M488-D490 PolarHBondContact O-N 2.76Å; M488-K491 HydrophobicContact CE-CD 4.3Å; M488-K491 PolarHBondContact O-N 3.26Å; M488-K491 HydrophobicContact SD-CD 3.77Å
489E89.4Confident90.3Very high172 Ų17255.4 Ų55.480%0.80431%0.311SS*.THydrogen-bonded Turntrans-68.9-17.4177.8-61.8-178.4-15500113.5P487P487-E489 PolarHBondContact O-N 3.24Å; P487-E489 VanDerWaalsContact O-N 3.15Å
490D90.4Very high90.3Very high35 Ų3556.6 Ų56.619%0.18730%0.304CS..THydrogen-bonded Turntrans-106.8-11.4177.3-66.2-33.3000113.5R337 P487 M488 I492R337-D490 IonicContact CZ-OD1 2.99Å; R337-D490 IonicContact NE-OD1 2.82Å; R337-D490 PolarHBondContact NE-OD1 3.1Å; R337-D490 IonicContact NH2-OD1 3.35Å; R337-D490 PolarHBondContact NH2-OD1 3.23Å; P487-D490 HydrophobicContact CG-CB 4.35Å; P487-D490 WeakPolarHBondContact CG-OD2 3.38Å; P487-D490 PolarHBondContact O-N 3.1Å; P487-D490 VanDerWaalsContact O-N 3.1Å; M488-D490 PolarHBondContact O-N 2.76Å; D490-I492 PolarHBondContact O-N 2.82Å
491K93.1Very high90.1Very high19 Ų1957.3 Ų57.38%0.08331%0.308CS..  trans-88.292.7176.4-74166.9169.41610110.9V294 H333 F483 H484 L486 P487 M488 R493V294-K491 HydrophobicContact CG2-CD 4.26Å; H333-K491 HydrophobicContact CB-CB 4.48Å; F483-K491 HydrophobicContact CE1-CG 4.49Å; F483-K491 WeakPolarHBondContact O-CE 3.35Å; H484-K491 PolarHBondContact O-NZ 2.87Å; L486-K491 HydrophobicContact CB-CG 4.31Å; L486-K491 WeakPolarHBondContact O-CE 3.41Å; L486-K491 PolarHBondContact O-NZ 2.9Å; P487-K491 PolarHBondContact O-N 2.86Å; M488-K491 HydrophobicContact CE-CD 4.3Å; M488-K491 PolarHBondContact O-N 3.26Å; M488-K491 HydrophobicContact SD-CD 3.77Å; K491-R493 PolarHBondContact O-N 3.4Å
492I93.8Very high90Very high72 Ų7257.8 Ų57.837%0.36931%0.314SS..EExtended strand (participates in β ladder)trans-81.1116.3177.5-63.6-179.4000109.9H333 G334 T336 A450 D490H333-I492 CarbonylContact C-O 3.53Å; H333-I492 WeakPolarHBondContact CA-O 3.43Å; G334-I492 PolarHBondContact N-O 3.12Å; G334-I492 PolarHBondContact O-N 3.49Å; T336-I492 HydrophobicContact CG2-CD1 3.73Å; A450-I492 HydrophobicContact CB-CB 3.94Å; A450-I492 HydrophobicContact CB-CD1 4.13Å; A450-I492 HydrophobicContact CB-CG2 3.97Å; D490-I492 PolarHBondContact O-N 2.82Å
493R92.7Very high90Very high71 Ų7161.2 Ų61.227%0.26833%0.33SS..EExtended strand (participates in β ladder)trans-67.7140.5-179.2-167.869.1-176.4-135.4-12112.5D291 T332 H333 K491 K496D291-R493 PolarHBondContact O-NH1 3.25Å; D291-R493 IonicContact OD1-CZ 3.69Å; D291-R493 IonicContact OD1-NE 3.5Å; D291-R493 IonicContact OD1-NH1 3.83Å; D291-R493 PolarHBondContact OD1-NH1 2.62Å; D291-R493 IonicContact OD1-NH2 2.96Å; D291-R493 PolarHBondContact OD1-NH2 2.87Å; T332-R493 WeakPolarHBondContact O-CD 3.42Å; H333-R493 PolarHBondContact CE1-NH1 3.44Å; H333-R493 WeakPolarHBondContact NE2-CD 3.32Å; H333-R493 PolarHBondContact NE2-NH1 3.44Å; K491-R493 PolarHBondContact O-N 3.4Å; R493-K496 HydrophobicContact CG-CG 4.41Å
494G90.2Very high90.2Very high7 Ų761.2 Ų61.27%0.07233%0.33CS..  trans-71.9175.5171.300000113.2T332 F452 K496T332-G494 PolarHBondContact O-N 2.86Å; F452-G494 VanDerWaalsContact CE1-CA 3.49Å; G494-K496 PolarHBondContact O-N 3.08Å; G494-K496 VanDerWaalsContact O-N 3.09Å
495T89.3Confident90.6Very high33 Ų3359.5 Ų59.520%0.20232%0.322CS..  trans-62.6114.2175.6-56.10000110.1Y299 N300 N372 K532Y299-T495 VanDerWaalsContact CD1-O 3.29Å; Y299-T495 WeakPolarHBondContact CD1-O 3.47Å; Y299-T495 HydrophobicContact CE1-CG2 4.11Å; N300-T495 PolarHBondContact ND2-O 3.03Å; N372-T495 PolarHBondContact ND2-N 3.29Å; N372-T495 PolarHBondContact ND2-OG1 2.93Å; N372-T495 PolarHBondContact OD1-N 2.9Å; N372-T495 VanDerWaalsContact OD1-N 3.11Å; N372-T495 PolarHBondContact OD1-OG1 3.48Å; T495-K532 HydrophobicContact CG2-CD 4.33Å; T495-K532 WeakPolarHBondContact OG1-CE 3.37Å; T495-K532 PolarHBondContact OG1-NZ 3.03Å; T495-K532 VanDerWaalsContact OG1-NZ 3.15Å
496K87.6Confident90.9Very high113 Ų11354.8 Ų54.849%0.49130%0.297SS..PPolyproline II helixtrans-72151170.1-60.4-169.3-175-175.60110.4D291 R493 G494D291-K496 IonicContact OD1-NZ 2.65Å; D291-K496 PolarHBondContact OD1-NZ 2.84Å; D291-K496 IonicContact OD2-NZ 3.3Å; D291-K496 PolarHBondContact OD2-NZ 2.86Å; R493-K496 HydrophobicContact CG-CG 4.41Å; G494-K496 PolarHBondContact O-N 3.08Å; G494-K496 VanDerWaalsContact O-N 3.09Å
497G86.3Confident91.3Very high31 Ų3154 Ų5432%0.3229%0.293SS..PPolyproline II helixtrans-74.5170.2173.400000113.6
498P89.4Confident91.6Very high24 Ų2450.7 Ų50.716%0.15627%0.271CS..PPolyproline II helixtrans-58.8141169.5-17.330.1000111E503 R582P498-E503 HydrophobicContact CB-CB 3.67Å; P498-R582 WeakPolarHBondContact CD-O 3.48Å
499A86.5Confident92Very high63 Ų6345.6 Ų45.652%0.52125%0.246SC..SBendtrans-72.2-40.3-175.900000111.3E503 R582A499-E503 PolarHBondContact N-OE2 3.05Å; A499-R582 PolarHBondContact O-NH1 2.82Å
500N89Confident92.3Very high83 Ų8337.4 Ų37.444%0.44421%0.208SC..SBendtrans-118.6151.2-174.2-59.4-74.1000112S502 E503N500-S502 PolarHBondContact O-N 3.5Å; N500-E503 WeakPolarHBondContact CB-OE1 3.17Å; N500-E503 PolarHBondContact N-OE2 3.27Å; N500-E503 PolarHBondContact ND2-OE1 2.71Å; N500-E503 WeakPolarHBondContact O-CB 3.11Å; N500-E503 PolarHBondContact O-N 2.74Å
501K90.1Very high92.5Very high56 Ų5635.8 Ų35.824%0.24320%0.199CC..G310 helixtrans-57.2-33.4175.2-66.3-162.1177.3-158.50113.4E283 E503 C504 A579 G606 F607E283-K501 VanDerWaalsContact CD-NZ 3.34Å; E283-K501 WeakPolarHBondContact OE1-CE 3.49Å; E283-K501 IonicContact OE1-NZ 2.72Å; E283-K501 PolarHBondContact OE1-NZ 2.83Å; E283-K501 VanDerWaalsContact OE2-CE 3.27Å; E283-K501 WeakPolarHBondContact OE2-CE 3.41Å; E283-K501 IonicContact OE2-NZ 3.39Å; K501-E503 PolarHBondContact O-N 2.95Å; K501-C504 VanDerWaalsContact O-CB 3.28Å; K501-C504 WeakPolarHBondContact O-CB 3.29Å; K501-C504 PolarHBondContact O-N 3.05Å; K501-A579 PolarHBondContact NZ-O 3.15Å; K501-G606 CarbonylContact C-O 3.57Å; K501-G606 WeakPolarHBondContact CB-O 3.42Å; K501-G606 VanDerWaalsContact O-O 3.06Å; K501-F607 HydrophobicContact CD-CD2 4.42Å; K501-F607 HydrophobicContact CD-CE2 4.02Å; K501-F607 HydrophobicContact CG-CE2 4.48Å; K501-F607 WeakPolarHBondContact O-CA 3.03Å
502S92.3Very high92.5Very high75 Ų7535.1 Ų35.152%0.52420%0.196SC..G310 helixtrans-64.9-16.4178.147.70000114.4N500 G606 Q608N500-S502 PolarHBondContact O-N 3.5Å; S502-G606 WeakPolarHBondContact CA-O 3.49Å; S502-G606 PolarHBondContact N-O 3.05Å; S502-G606 VanDerWaalsContact N-O 3.16Å; S502-Q608 WeakPolarHBondContact O-CG 3.38Å; S502-Q608 PolarHBondContact O-NE2 2.8Å
503E92.8Very high92.2Very high88 Ų8832.3 Ų32.341%0.41118%0.183SC..G310 helixtrans-91.3-18.1173-64.4151.4-146.800112P498 A499 N500 K501P498-E503 HydrophobicContact CB-CB 3.67Å; A499-E503 PolarHBondContact N-OE2 3.05Å; N500-E503 WeakPolarHBondContact CB-OE1 3.17Å; N500-E503 PolarHBondContact N-OE2 3.27Å; N500-E503 PolarHBondContact ND2-OE1 2.71Å; N500-E503 WeakPolarHBondContact O-CB 3.11Å; N500-E503 PolarHBondContact O-N 2.74Å; K501-E503 PolarHBondContact O-N 2.95Å
504C95.4Very high91.9Very high0 Ų030 Ų300%018%0.179CC..  trans-78.8131.2178.1-59.20000111.1K501 R582 R583 N584 F607 Q608K501-C504 VanDerWaalsContact O-CB 3.28Å; K501-C504 WeakPolarHBondContact O-CB 3.29Å; K501-C504 PolarHBondContact O-N 3.05Å; C504-R582 VanDerWaalsContact SG-C 3.58Å; C504-R583 WeakPolarHBondContact CB-O 3.37Å; C504-N584 WeakPolarHBondContact CA-OD1 3.45Å; C504-F607 HydrophobicContact CB-CD1 3.31Å; C504-F607 HydrophobicContact CB-CE1 3.5Å; C504-F607 VanDerWaalsContact CB-CE1 3.5Å; C504-F607 HydrophobicContact CB-CG 4.14Å; C504-F607 HydrophobicContact CB-CZ 4.46Å; C504-Q608 PolarHBondContact O-N 3.43Å
505E95.9Very high91.8Very high12 Ų1229.8 Ų29.86%0.05618%0.176CC..EExtended strand (participates in β ladder)trans-110.8134.5-178.4-175.4172.1-134.800112.1L507 K531 Y533 N584 Y585 Q608 K610E505-L507 HydrophobicContact CG-CD2 3.73Å; E505-L507 HydrophobicContact CG-CG 4.23Å; E505-K531 IonicContact OE2-NZ 3.64Å; E505-K531 PolarHBondContact OE2-NZ 3.19Å; E505-Y533 PolarHBondContact OE2-OH 3.36Å; E505-N584 PolarHBondContact N-OD1 2.75Å; E505-N584 CarbonylContact O-C 3.51Å; E505-N584 VanDerWaalsContact O-CA 3.27Å; E505-N584 WeakPolarHBondContact O-CA 3.45Å; E505-Y585 PolarHBondContact O-N 2.93Å; E505-Q608 HydrophobicContact CB-CB 4.39Å; E505-Q608 HydrophobicContact CG-CB 4.41Å; E505-K610 WeakPolarHBondContact OE1-CE 3.44Å; E505-K610 IonicContact OE1-NZ 2.96Å; E505-K610 PolarHBondContact OE1-NZ 3.21Å
506I97Very high91.9Very high0 Ų029.1 Ų29.10%018%0.176CC..EExtended strand (participates in β ladder)trans-122.6117.2170.7-177.2164.7000111.6Y585 L587 M601 F604 F607 Q608 R609 K610I506-Y585 WeakPolarHBondContact CA-O 3.49Å; I506-L587 HydrophobicContact CD1-CD1 3.9Å; I506-L587 HydrophobicContact CD1-CD2 4.14Å; I506-L587 HydrophobicContact CD1-CG 3.88Å; I506-L587 HydrophobicContact CG1-CD1 4.45Å; I506-L587 HydrophobicContact CG1-CG 4.18Å; I506-M601 HydrophobicContact CD1-SD 4.47Å; I506-M601 HydrophobicContact CG1-CE 4.49Å; I506-M601 HydrophobicContact CG2-CE 4.03Å; I506-F604 HydrophobicContact CD1-CD1 3.61Å; I506-F604 HydrophobicContact CD1-CD2 3.51Å; I506-F604 HydrophobicContact CD1-CE1 3.52Å; I506-F604 HydrophobicContact CD1-CE2 3.43Å; I506-F604 VanDerWaalsContact CD1-CE2 3.43Å; I506-F604 HydrophobicContact CD1-CG 3.6Å; I506-F604 HydrophobicContact CD1-CZ 3.44Å; I506-F604 VanDerWaalsContact CD1-CZ 3.44Å; I506-F604 HydrophobicContact CG2-CB 4.01Å; I506-F604 HydrophobicContact CG2-CD1 4.42Å; I506-F604 HydrophobicContact CG2-CG 4.19Å; I506-F607 HydrophobicContact CG2-CB 4.05Å; I506-Q608 PolarHBondContact N-O 3.2Å; I506-R609 HydrophobicContact CG2-CB 4.37Å; I506-R609 HydrophobicContact CG2-CG 3.64Å; I506-K610 PolarHBondContact O-N 3.01Å
507L97.6Very high92.1Very high3 Ų324.4 Ų24.42%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-99.2115.3179.2-54.4-175.8000110E505 W520 H524 Y533 Y585 I586 L587 K610 I612E505-L507 HydrophobicContact CG-CD2 3.73Å; E505-L507 HydrophobicContact CG-CG 4.23Å; L507-W520 HydrophobicContact CD1-CH2 4.06Å; L507-W520 HydrophobicContact CD1-CZ3 4.17Å; L507-H524 WeakPolarHBondContact CD1-NE2 3.47Å; L507-Y533 HydrophobicContact CD1-CE1 3.93Å; L507-Y533 HydrophobicContact CG-CE1 4.21Å; L507-Y585 PolarHBondContact N-O 2.99Å; L507-I586 HydrophobicContact CB-CG1 4.24Å; L507-I586 HydrophobicContact CB-CG2 4.36Å; L507-I586 HydrophobicContact CD1-CD1 4.44Å; L507-I586 HydrophobicContact CD1-CG1 4.27Å; L507-I586 CarbonylContact O-C 3.19Å; L507-I586 WeakPolarHBondContact O-CA 3.15Å; L507-L587 PolarHBondContact O-N 3.13Å; L507-K610 HydrophobicContact CD2-CB 3.93Å; L507-K610 HydrophobicContact CD2-CD 4.31Å; L507-K610 HydrophobicContact CD2-CG 4.43Å; L507-I612 HydrophobicContact CB-CG1 4.11Å; L507-I612 HydrophobicContact CD2-CD1 4.32Å; L507-I612 HydrophobicContact CD2-CG1 4.5Å
508M97Very high92.3Very high1 Ų125.1 Ų25.11%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-90.9112.2172.4173.4169-81.900110.6V510 L587 N591 R597 K600 M601 K610 A611 I612M508-V510 HydrophobicContact CG-CG2 3.97Å; M508-V510 HydrophobicContact SD-CG2 4.46Å; M508-L587 HydrophobicContact CE-CD1 3.83Å; M508-N591 HydrophobicContact CG-CB 4.13Å; M508-N591 HydrophobicContact SD-CB 4.03Å; M508-R597 HydrophobicContact SD-CB 3.8Å; M508-R597 HydrophobicContact SD-CG 3.59Å; M508-R597 VanDerWaalsContact SD-CG 3.59Å; M508-K600 HydrophobicContact CE-CB 3.75Å; M508-K600 HydrophobicContact CE-CD 4.14Å; M508-M601 HydrophobicContact CB-CE 4Å; M508-M601 HydrophobicContact CB-SD 3.81Å; M508-M601 HydrophobicContact CE-CG 3.63Å; M508-M601 HydrophobicContact CE-SD 3.64Å; M508-M601 HydrophobicContact SD-CG 4.01Å; M508-M601 HydrophobicContact SD-SD 4.23Å; M508-K610 PolarHBondContact N-O 2.62Å; M508-A611 CarbonylContact O-C 3.51Å; M508-A611 WeakPolarHBondContact O-CA 3.25Å; M508-I612 PolarHBondContact O-N 2.99Å
509M96.8Very high92.5Very high0 Ų029 Ų290%018%0.177CC..EExtended strand (participates in β ladder)trans-68136.9170.9-53.9-49.7-60.300110K517 W520 I586 L587 N591 I612 I614M509-K517 HydrophobicContact CB-CB 4.17Å; M509-K517 HydrophobicContact CB-CD 3.79Å; M509-K517 HydrophobicContact CB-CG 4.02Å; M509-K517 HydrophobicContact CE-CB 4.38Å; M509-K517 HydrophobicContact CE-CG 4.46Å; M509-K517 HydrophobicContact CG-CB 4.5Å; M509-W520 HydrophobicContact CE-CB 4.25Å; M509-W520 HydrophobicContact CE-CD2 3.9Å; M509-W520 HydrophobicContact CE-CE3 3.36Å; M509-W520 HydrophobicContact CE-CG 4.28Å; M509-W520 HydrophobicContact CE-CZ3 4.06Å; M509-W520 HydrophobicContact SD-CE3 3.57Å; M509-W520 VanDerWaalsContact SD-CE3 3.57Å; M509-W520 HydrophobicContact SD-CZ3 3.74Å; M509-I586 HydrophobicContact CG-CG2 3.89Å; M509-I586 HydrophobicContact SD-CG2 3.82Å; M509-L587 WeakPolarHBondContact CB-O 3.07Å; M509-L587 PolarHBondContact N-O 2.98Å; M509-N591 VanDerWaalsContact O-CB 3.31Å; M509-N591 WeakPolarHBondContact O-CB 3.48Å; M509-N591 PolarHBondContact O-ND2 3.43Å; M509-I612 HydrophobicContact CE-CB 3.98Å; M509-I612 HydrophobicContact CE-CG2 3.73Å; M509-I612 HydrophobicContact SD-CB 3.93Å; M509-I612 HydrophobicContact SD-CG1 4.29Å; M509-I612 HydrophobicContact SD-CG2 4.25Å; M509-I614 HydrophobicContact CE-CD1 3.51Å; M509-I614 HydrophobicContact CE-CG1 4.06Å
510V95.9Very high92.9Very high0 Ų028.5 Ų28.50%016%0.162CC..EExtended strand (participates in β ladder)trans-136.3129.2176.9-174.70000110.2M508 N591 A611 I612 I614 F648 P651M508-V510 HydrophobicContact CG-CG2 3.97Å; M508-V510 HydrophobicContact SD-CG2 4.46Å; V510-N591 HydrophobicContact CG2-CB 4.14Å; V510-A611 HydrophobicContact CG2-CB 4.27Å; V510-I612 PolarHBondContact N-O 2.6Å; V510-I614 PolarHBondContact O-N 2.67Å; V510-F648 HydrophobicContact CG1-CE2 3.9Å; V510-F648 HydrophobicContact CG1-CZ 4.48Å; V510-P651 HydrophobicContact CG2-CG 4.3Å
511G94Very high93.2Very high0 Ų024.5 Ų24.50%014%0.141CC..SBendtrans153.4159.4178.400000112K517 T590G511-K517 PolarHBondContact O-NZ 2.97Å; G511-T590 PolarHBondContact N-O 3.27Å; G511-T590 VanDerWaalsContact N-O 3.08Å; G511-T590 WeakPolarHBondContact O-CG2 3.44Å
512L92Very high93.4Very high5 Ų525.6 Ų25.63%0.02615%0.148CC..  trans-56.7161.5-176.2-68.3175.1000113.7C515 K517 V592 F621 M644 K645 F648 Y677L512-C515 PolarHBondContact O-N 2.88Å; L512-C515 PolarHBondContact O-SG 3.03Å; L512-K517 PolarHBondContact O-NZ 2.93Å; L512-V592 HydrophobicContact CD2-CG1 4.42Å; L512-F621 HydrophobicContact CB-CE2 3.66Å; L512-F621 HydrophobicContact CB-CZ 3.8Å; L512-F621 HydrophobicContact CD1-CE1 4.36Å; L512-F621 HydrophobicContact CD1-CE2 4.19Å; L512-F621 HydrophobicContact CD1-CZ 3.92Å; L512-M644 HydrophobicContact CD2-CB 3.91Å; L512-K645 HydrophobicContact CD1-CG 3.93Å; L512-K645 HydrophobicContact CD2-CG 4.18Å; L512-F648 HydrophobicContact CD2-CD1 4.11Å; L512-F648 HydrophobicContact CG-CD1 4.09Å; L512-F648 HydrophobicContact CG-CE1 4.29Å; L512-Y677 HydrophobicContact CD1-CD2 3.86Å; L512-Y677 HydrophobicContact CD1-CE2 3.74Å
513P88.1Confident93.5Very high13 Ų1327.2 Ų27.28%0.08415%0.146CC..THydrogen-bonded Turntrans-51.3156.2170-24.136000111.8C515 T590 F621 V636 M644P513-C515 PolarHBondContact O-N 2.85Å; P513-T590 HydrophobicContact CG-CG2 4.17Å; P513-F621 WeakPolarHBondContact O-CE2 3.46Å; P513-F621 WeakPolarHBondContact O-CZ 3.27Å; P513-V636 HydrophobicContact CB-CG1 4.2Å; P513-V636 HydrophobicContact CB-CG2 4.33Å; P513-V636 HydrophobicContact CG-CG1 4.26Å; P513-M644 HydrophobicContact CG-SD 3.76Å
514A85.8Confident93.7Very high23 Ų2325.2 Ų25.219%0.1914%0.137CC..THydrogen-bonded Turntrans58.1-12.2-175.400000118.9G516 T625A514-G516 PolarHBondContact O-N 2.74Å; A514-T625 HydrophobicContact CB-CG2 4.31Å
515C89.9Confident93.6Very high2 Ų226.2 Ų26.21%0.01415%0.145CC..SBendtrans-63.5-14.3-170760000117.4L512 P513 I614 P616 F621 R624L512-C515 PolarHBondContact O-N 2.88Å; L512-C515 PolarHBondContact O-SG 3.03Å; P513-C515 PolarHBondContact O-N 2.85Å; C515-I614 HydrophobicContact CB-CG2 4.47Å; C515-I614 PolarHBondContact SG-O 2.91Å; C515-I614 VanDerWaalsContact SG-O 3.33Å; C515-P616 HydrophobicContact CB-CG 4.1Å; C515-F621 HydrophobicContact CB-CD2 3.99Å; C515-F621 HydrophobicContact CB-CE2 3.96Å; C515-R624 PolarHBondContact O-NH1 3.35Å
516G89.7Confident93.4Very high19 Ų1932.4 Ų32.420%0.19617%0.174CC..SBendtrans124.7-2.8177.400000116.7A514 T518 T519 W520A514-G516 PolarHBondContact O-N 2.74Å; G516-T518 PolarHBondContact O-N 3.25Å; G516-T519 WeakPolarHBondContact O-CB 2.85Å; G516-T519 PolarHBondContact O-N 2.72Å; G516-W520 PolarHBondContact O-N 3.21Å
517K92.7Very high93.3Very high14 Ų1438.1 Ų38.16%0.06120%0.2CC..Hα-helixtrans-45.3-54.3-176.2-68-178.2-59.8-68.90115.5M509 G511 L512 T519 W520 A521 D588 Q589M509-K517 HydrophobicContact CB-CB 4.17Å; M509-K517 HydrophobicContact CB-CD 3.79Å; M509-K517 HydrophobicContact CB-CG 4.02Å; M509-K517 HydrophobicContact CE-CB 4.38Å; M509-K517 HydrophobicContact CE-CG 4.46Å; M509-K517 HydrophobicContact CG-CB 4.5Å; G511-K517 PolarHBondContact O-NZ 2.97Å; L512-K517 PolarHBondContact O-NZ 2.93Å; K517-T519 VanDerWaalsContact C-N 3.3Å; K517-T519 PolarHBondContact O-N 3.15Å; K517-W520 PolarHBondContact O-N 3.04Å; K517-A521 WeakPolarHBondContact O-CB 3.26Å; K517-A521 PolarHBondContact O-N 2.68Å; K517-D588 WeakPolarHBondContact CB-OD1 3.48Å; K517-Q589 VanDerWaalsContact CD-O 3.31Å; K517-Q589 WeakPolarHBondContact CD-O 3.5Å; K517-Q589 WeakPolarHBondContact CE-O 3.29Å
518T91.4Very high93.1Very high46 Ų4640 Ų4028%0.28221%0.21SC..Hα-helixtrans-61.6-40-178.5-48.50000111.4G516 A521 I522 D588G516-T518 PolarHBondContact O-N 3.25Å; T518-A521 PolarHBondContact O-N 2.97Å; T518-I522 HydrophobicContact CG2-CD1 4Å; T518-I522 WeakPolarHBondContact O-CG1 3.3Å; T518-I522 PolarHBondContact O-N 2.99Å; T518-D588 WeakPolarHBondContact CB-OD2 3.45Å; T518-D588 WeakPolarHBondContact CG2-OD2 3.37Å; T518-D588 PolarHBondContact N-OD1 3.06Å; T518-D588 PolarHBondContact OG1-OD1 3.25Å; T518-D588 PolarHBondContact OG1-OD2 3.2Å
519T92.4Very high92.7Very high106 Ų10642.8 Ų42.865%0.6523%0.229SC*.Hα-helixtrans-62.7-45177.2-44.30000111.2G516 K517 K523G516-T519 WeakPolarHBondContact O-CB 2.85Å; G516-T519 PolarHBondContact O-N 2.72Å; K517-T519 VanDerWaalsContact C-N 3.3Å; K517-T519 PolarHBondContact O-N 3.15Å; T519-K523 WeakPolarHBondContact O-CB 3.45Å; T519-K523 PolarHBondContact O-N 3.25Å
520W95.3Very high92.3Very high52 Ų5248.9 Ų48.920%0.19726%0.261CS..Hα-helixtrans-65.8-42.8175.6-172.996.6000112.1L507 M509 G516 K517 I522 K523 H524 I612 I614L507-W520 HydrophobicContact CD1-CH2 4.06Å; L507-W520 HydrophobicContact CD1-CZ3 4.17Å; M509-W520 HydrophobicContact CE-CB 4.25Å; M509-W520 HydrophobicContact CE-CD2 3.9Å; M509-W520 HydrophobicContact CE-CE3 3.36Å; M509-W520 HydrophobicContact CE-CG 4.28Å; M509-W520 HydrophobicContact CE-CZ3 4.06Å; M509-W520 HydrophobicContact SD-CE3 3.57Å; M509-W520 VanDerWaalsContact SD-CE3 3.57Å; M509-W520 HydrophobicContact SD-CZ3 3.74Å; G516-W520 PolarHBondContact O-N 3.21Å; K517-W520 PolarHBondContact O-N 3.04Å; W520-I522 VanDerWaalsContact C-N 3.34Å; W520-I522 PolarHBondContact O-N 3.5Å; W520-K523 PolarHBondContact O-N 3.35Å; W520-H524 HydrophobicContact CD2-CB 4.26Å; W520-H524 HydrophobicContact CE3-CB 3.95Å; W520-H524 HydrophobicContact CH2-CB 3.77Å; W520-H524 AromaticContact CH2-CD2 3.98Å; W520-H524 AromaticContact CH2-CG 3.45Å; W520-H524 VanDerWaalsContact CH2-CG 3.45Å; W520-H524 AromaticContact CH2-ND1 3.5Å; W520-H524 HydrophobicContact CZ2-CB 4.1Å; W520-H524 AromaticContact CZ2-CG 3.94Å; W520-H524 AromaticContact CZ2-ND1 3.66Å; W520-H524 HydrophobicContact CZ3-CB 3.7Å; W520-H524 AromaticContact CZ3-CG 3.78Å; W520-H524 VanDerWaalsContact O-CB 3.3Å; W520-H524 WeakPolarHBondContact O-CB 3.38Å; W520-H524 PolarHBondContact O-N 2.77Å; W520-I612 HydrophobicContact CD2-CG2 4.07Å; W520-I612 HydrophobicContact CE3-CG2 4.05Å; W520-I612 HydrophobicContact CH2-CB 4.37Å; W520-I612 HydrophobicContact CH2-CD1 3.98Å; W520-I612 HydrophobicContact CH2-CG1 3.76Å; W520-I612 HydrophobicContact CH2-CG2 3.82Å; W520-I612 HydrophobicContact CZ2-CD1 4.45Å; W520-I612 HydrophobicContact CZ2-CG1 4.45Å; W520-I612 HydrophobicContact CZ2-CG2 3.79Å; W520-I612 HydrophobicContact CZ3-CB 4.36Å; W520-I612 HydrophobicContact CZ3-CG1 3.94Å; W520-I612 HydrophobicContact CZ3-CG2 3.94Å; W520-I614 HydrophobicContact CB-CD1 3.37Å; W520-I614 HydrophobicContact CD2-CD1 4.27Å; W520-I614 HydrophobicContact CG-CD1 3.58Å
521A95.7Very high92Very high0 Ų052.2 Ų52.20%028%0.276CS..Hα-helixtrans-62.7-39.6-179.300000112.6K517 T518 A525 I535 I586 D588K517-A521 WeakPolarHBondContact O-CB 3.26Å; K517-A521 PolarHBondContact O-N 2.68Å; T518-A521 PolarHBondContact O-N 2.97Å; A521-A525 WeakPolarHBondContact O-CB 3.46Å; A521-A525 PolarHBondContact O-N 2.77Å; A521-I535 HydrophobicContact CB-CD1 4.41Å; A521-I535 WeakPolarHBondContact O-CD1 3.28Å; A521-I586 HydrophobicContact CB-CG2 3.8Å; A521-D588 HydrophobicContact CB-CB 4.48Å
522I93.5Very high91.8Very high78 Ų7854.1 Ų54.140%0.428%0.284SS..Hα-helixtrans-66.2-54.7173.4-68.9166.6000109.8T518 W520 H524 A525 E526 I535T518-I522 HydrophobicContact CG2-CD1 4Å; T518-I522 WeakPolarHBondContact O-CG1 3.3Å; T518-I522 PolarHBondContact O-N 2.99Å; W520-I522 VanDerWaalsContact C-N 3.34Å; W520-I522 PolarHBondContact O-N 3.5Å; I522-H524 VanDerWaalsContact C-N 3.33Å; I522-H524 PolarHBondContact O-N 2.97Å; I522-A525 WeakPolarHBondContact O-CA 3.34Å; I522-A525 WeakPolarHBondContact O-CB 3.31Å; I522-A525 PolarHBondContact O-N 3.38Å; I522-E526 HydrophobicContact CG2-CG 4.36Å; I522-E526 WeakPolarHBondContact CG2-OE1 3.48Å; I522-E526 WeakPolarHBondContact O-CG 3.4Å; I522-E526 PolarHBondContact O-N 2.85Å; I522-I535 HydrophobicContact CG1-CD1 4.07Å
523K95.1Very high91.9Very high110 Ų11054.7 Ų54.748%0.47829%0.286SS..Hα-helixtrans-55.4-45.7-179.4-179.9-177167.4-174.60112.5T519 W520 A525 E526 E527T519-K523 WeakPolarHBondContact O-CB 3.45Å; T519-K523 PolarHBondContact O-N 3.25Å; W520-K523 PolarHBondContact O-N 3.35Å; K523-A525 VanDerWaalsContact C-N 3.27Å; K523-A525 PolarHBondContact O-N 3.27Å; K523-E526 PolarHBondContact O-N 3.2Å; K523-E527 WeakPolarHBondContact CE-OE1 3.3Å; K523-E527 VanDerWaalsContact CE-OE2 3.25Å; K523-E527 WeakPolarHBondContact CE-OE2 3.5Å; K523-E527 HydrophobicContact CG-CG 4.36Å; K523-E527 IonicContact NZ-OE1 3.03Å; K523-E527 PolarHBondContact NZ-OE1 3.48Å; K523-E527 WeakPolarHBondContact O-CB 3.41Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 2.82Å
524H95.6Very high92.2Very high46 Ų4655.9 Ų55.921%0.21329%0.291CS..Hα-helixtrans-65.2-30.9179.4-175.184.2000112.2L507 W520 I522 N528 Y533L507-H524 WeakPolarHBondContact CD1-NE2 3.47Å; W520-H524 HydrophobicContact CD2-CB 4.26Å; W520-H524 HydrophobicContact CE3-CB 3.95Å; W520-H524 HydrophobicContact CH2-CB 3.77Å; W520-H524 AromaticContact CH2-CD2 3.98Å; W520-H524 AromaticContact CH2-CG 3.45Å; W520-H524 VanDerWaalsContact CH2-CG 3.45Å; W520-H524 AromaticContact CH2-ND1 3.5Å; W520-H524 HydrophobicContact CZ2-CB 4.1Å; W520-H524 AromaticContact CZ2-CG 3.94Å; W520-H524 AromaticContact CZ2-ND1 3.66Å; W520-H524 HydrophobicContact CZ3-CB 3.7Å; W520-H524 AromaticContact CZ3-CG 3.78Å; W520-H524 VanDerWaalsContact O-CB 3.3Å; W520-H524 WeakPolarHBondContact O-CB 3.38Å; W520-H524 PolarHBondContact O-N 2.77Å; I522-H524 VanDerWaalsContact C-N 3.33Å; I522-H524 PolarHBondContact O-N 2.97Å; H524-N528 WeakPolarHBondContact O-CB 3.33Å; H524-N528 PolarHBondContact O-N 3.26Å; H524-N528 PolarHBondContact O-ND2 3.17Å; H524-Y533 AromaticContact CD2-CE2 3.4Å; H524-Y533 VanDerWaalsContact CD2-CE2 3.4Å; H524-Y533 WeakPolarHBondContact CD2-CE2 3.33Å; H524-Y533 AromaticContact CD2-CZ 3.71Å; H524-Y533 AromaticContact NE2-CE1 3.7Å; H524-Y533 AromaticContact NE2-CE2 2.85Å; H524-Y533 WeakPolarHBondContact NE2-CE2 3.47Å; H524-Y533 AromaticContact NE2-CZ 2.58Å; H524-Y533 PolarHBondContact NE2-OH 2.94Å
525A94.3Very high92.7Very high21 Ų2156.9 Ų56.917%0.17429%0.293CS..Hα-helixtrans-72.2-39.3172.500000112.4A521 I522 K523 N528 Y533 I535A521-A525 WeakPolarHBondContact O-CB 3.46Å; A521-A525 PolarHBondContact O-N 2.77Å; I522-A525 WeakPolarHBondContact O-CA 3.34Å; I522-A525 WeakPolarHBondContact O-CB 3.31Å; I522-A525 PolarHBondContact O-N 3.38Å; K523-A525 VanDerWaalsContact C-N 3.27Å; K523-A525 PolarHBondContact O-N 3.27Å; A525-N528 CarbonylContact O-C 3.51Å; A525-N528 VanDerWaalsContact O-C 3.32Å; A525-N528 PolarHBondContact O-N 3.48Å; A525-Y533 HydrophobicContact CB-CD2 4.46Å; A525-I535 HydrophobicContact CB-CD1 4.28Å
526E92.6Very high92.9Very high142 Ų14257.2 Ų57.266%0.66430%0.295SS*.Hα-helixtrans-66.6-37.2175-67.7169.7167.400112.5I522 K523 N528I522-E526 HydrophobicContact CG2-CG 4.36Å; I522-E526 WeakPolarHBondContact CG2-OE1 3.48Å; I522-E526 WeakPolarHBondContact O-CG 3.4Å; I522-E526 PolarHBondContact O-N 2.85Å; K523-E526 PolarHBondContact O-N 3.2Å; E526-N528 VanDerWaalsContact C-N 3.28Å; E526-N528 PolarHBondContact O-N 2.67Å
527E94.4Very high93.1Very high120 Ų12056.3 Ų56.356%0.56129%0.286SS*.SBendtrans-74.9-13.7175.4-72.5178.5149.400113.3K523K523-E527 WeakPolarHBondContact CE-OE1 3.3Å; K523-E527 VanDerWaalsContact CE-OE2 3.25Å; K523-E527 WeakPolarHBondContact CE-OE2 3.5Å; K523-E527 HydrophobicContact CG-CG 4.36Å; K523-E527 IonicContact NZ-OE1 3.03Å; K523-E527 PolarHBondContact NZ-OE1 3.48Å; K523-E527 WeakPolarHBondContact O-CB 3.41Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 2.82Å
528N92.7Very high92.8Very high42 Ų4256.6 Ų56.623%0.22529%0.289CS..  trans-130.557.4-179-65.8-103.1000111.8H524 A525 E526 D530 K531 Y533H524-N528 WeakPolarHBondContact O-CB 3.33Å; H524-N528 PolarHBondContact O-N 3.26Å; H524-N528 PolarHBondContact O-ND2 3.17Å; A525-N528 CarbonylContact O-C 3.51Å; A525-N528 VanDerWaalsContact O-C 3.32Å; A525-N528 PolarHBondContact O-N 3.48Å; E526-N528 VanDerWaalsContact C-N 3.28Å; E526-N528 PolarHBondContact O-N 2.67Å; N528-D530 VanDerWaalsContact C-N 3.26Å; N528-D530 PolarHBondContact O-N 3.03Å; N528-K531 HydrophobicContact CB-CB 4.43Å; N528-K531 HydrophobicContact CB-CD 4.33Å; N528-K531 PolarHBondContact O-N 3.44Å; N528-K531 VanDerWaalsContact O-N 3.13Å; N528-Y533 HydrophobicContact CB-CD2 4.19Å; N528-Y533 HydrophobicContact CB-CE2 3.7Å
529P89.3Confident92.5Very high60 Ų6057.1 Ų57.139%0.3929%0.29SS..G310 helixtrans-61.7-34.3-170.926.5-35.1000112.6K531 K532P529-K531 PolarHBondContact O-N 3.32Å; P529-K532 VanDerWaalsContact O-CG 3.31Å; P529-K532 WeakPolarHBondContact O-CG 3.47Å; P529-K532 PolarHBondContact O-N 3.33Å; P529-K532 VanDerWaalsContact O-N 3.08Å
530D87.4Confident92.3Very high128 Ų12853.7 Ų53.768%0.68427%0.272SS*.G310 helixtrans-63.8-28.8-178.9-50.5-60.4000112.7N528 K532N528-D530 VanDerWaalsContact C-N 3.26Å; N528-D530 PolarHBondContact O-N 3.03Å; D530-K532 VanDerWaalsContact C-N 3.31Å; D530-K532 PolarHBondContact O-N 3.43Å
531K89.8Confident91.9Very high70 Ų7051.6 Ų51.630%0.30427%0.265SS..G310 helixtrans-75.4-17177-73.7-172.5175.5-179.50113.4Y299 E505 N528 P529 Y533 N584Y299-K531 PolarHBondContact OH-O 3.12Å; E505-K531 IonicContact OE2-NZ 3.64Å; E505-K531 PolarHBondContact OE2-NZ 3.19Å; N528-K531 HydrophobicContact CB-CB 4.43Å; N528-K531 HydrophobicContact CB-CD 4.33Å; N528-K531 PolarHBondContact O-N 3.44Å; N528-K531 VanDerWaalsContact O-N 3.13Å; P529-K531 PolarHBondContact O-N 3.32Å; K531-Y533 VanDerWaalsContact C-N 3.35Å; K531-Y533 HydrophobicContact CB-CD2 3.98Å; K531-Y533 HydrophobicContact CB-CE2 3.87Å; K531-Y533 HydrophobicContact CD-CE1 4.31Å; K531-Y533 HydrophobicContact CD-CE2 3.59Å; K531-Y533 VanDerWaalsContact CD-CZ 3.47Å; K531-Y533 VanDerWaalsContact CD-OH 3.23Å; K531-Y533 WeakPolarHBondContact CD-OH 3.44Å; K531-Y533 HydrophobicContact CG-CE2 4.37Å; K531-Y533 PolarHBondContact NZ-OH 3.41Å; K531-Y533 VanDerWaalsContact NZ-OH 3.1Å; K531-Y533 PolarHBondContact O-N 3.31Å; K531-N584 WeakPolarHBondContact O-CB 3.32Å; K531-N584 PolarHBondContact O-ND2 2.95Å
532K90.9Very high91.3Very high39 Ų3952.8 Ų52.817%0.1727%0.271CS..  trans40.156.9-175.3-62.6-164-176.6-178.40113.3Y299 N300 N372 T495 P529 D530 N534Y299-K532 HydrophobicContact CE1-CB 4.46Å; Y299-K532 HydrophobicContact CE1-CD 4.24Å; N300-K532 PolarHBondContact OD1-NZ 3.31Å; N372-K532 PolarHBondContact O-NZ 2.81Å; N372-K532 PolarHBondContact OD1-NZ 2.67Å; T495-K532 HydrophobicContact CG2-CD 4.33Å; T495-K532 WeakPolarHBondContact OG1-CE 3.37Å; T495-K532 PolarHBondContact OG1-NZ 3.03Å; T495-K532 VanDerWaalsContact OG1-NZ 3.15Å; P529-K532 VanDerWaalsContact O-CG 3.31Å; P529-K532 WeakPolarHBondContact O-CG 3.47Å; P529-K532 PolarHBondContact O-N 3.33Å; P529-K532 VanDerWaalsContact O-N 3.08Å; D530-K532 VanDerWaalsContact C-N 3.31Å; D530-K532 PolarHBondContact O-N 3.43Å; K532-N534 PolarHBondContact O-N 3.32Å; K532-N534 PolarHBondContact O-ND2 2.98Å
533Y94.3Very high90.6Very high18 Ų1850.9 Ų50.97%0.07126%0.261CS..  trans-57.1123.7-179.3-76.4-75.6000112.1E505 L507 H524 A525 N528 K531 I535 N584 I586E505-Y533 PolarHBondContact OE2-OH 3.36Å; L507-Y533 HydrophobicContact CD1-CE1 3.93Å; L507-Y533 HydrophobicContact CG-CE1 4.21Å; H524-Y533 AromaticContact CD2-CE2 3.4Å; H524-Y533 VanDerWaalsContact CD2-CE2 3.4Å; H524-Y533 WeakPolarHBondContact CD2-CE2 3.33Å; H524-Y533 AromaticContact CD2-CZ 3.71Å; H524-Y533 AromaticContact NE2-CE1 3.7Å; H524-Y533 AromaticContact NE2-CE2 2.85Å; H524-Y533 WeakPolarHBondContact NE2-CE2 3.47Å; H524-Y533 AromaticContact NE2-CZ 2.58Å; H524-Y533 PolarHBondContact NE2-OH 2.94Å; A525-Y533 HydrophobicContact CB-CD2 4.46Å; N528-Y533 HydrophobicContact CB-CD2 4.19Å; N528-Y533 HydrophobicContact CB-CE2 3.7Å; K531-Y533 VanDerWaalsContact C-N 3.35Å; K531-Y533 HydrophobicContact CB-CD2 3.98Å; K531-Y533 HydrophobicContact CB-CE2 3.87Å; K531-Y533 HydrophobicContact CD-CE1 4.31Å; K531-Y533 HydrophobicContact CD-CE2 3.59Å; K531-Y533 VanDerWaalsContact CD-CZ 3.47Å; K531-Y533 VanDerWaalsContact CD-OH 3.23Å; K531-Y533 WeakPolarHBondContact CD-OH 3.44Å; K531-Y533 HydrophobicContact CG-CE2 4.37Å; K531-Y533 PolarHBondContact NZ-OH 3.41Å; K531-Y533 VanDerWaalsContact NZ-OH 3.1Å; K531-Y533 PolarHBondContact O-N 3.31Å; Y533-I535 PolarHBondContact O-N 3.13Å; Y533-N584 HydrophobicContact CD1-CB 3.64Å; Y533-N584 HydrophobicContact CE1-CB 3.93Å; Y533-N584 HydrophobicContact CG-CB 4.34Å; Y533-I586 HydrophobicContact CD1-CD1 4.01Å; Y533-I586 HydrophobicContact CD1-CG1 3.68Å; Y533-I586 HydrophobicContact CD2-CD1 4.3Å; Y533-I586 HydrophobicContact CE1-CG1 4.34Å; Y533-I586 HydrophobicContact CG-CD1 3.82Å; Y533-I586 HydrophobicContact CG-CG1 3.96Å
534N94.6Very high89.9Confident37 Ų3748.3 Ų48.320%0.19825%0.25CS..EExtended strand (participates in β ladder)trans-86.8103.3175.3-71.8-119.3000108.2K532 L536 R583 N584 Y585 I586K532-N534 PolarHBondContact O-N 3.32Å; K532-N534 PolarHBondContact O-ND2 2.98Å; N534-L536 PolarHBondContact O-N 3.08Å; N534-R583 PolarHBondContact OD1-NH1 3.2Å; N534-N584 PolarHBondContact N-O 2.71Å; N534-N584 PolarHBondContact ND2-O 2.61Å; N534-Y585 HydrophobicContact CB-CD1 3.57Å; N534-Y585 HydrophobicContact CB-CE1 3.68Å; N534-Y585 WeakPolarHBondContact O-CA 3.29Å; N534-I586 PolarHBondContact O-N 3Å
535I95Very high89Confident45 Ų4546.2 Ų46.223%0.23124%0.241CC..EExtended strand (participates in β ladder)trans-76.4114.4179.6-55178.1000109.9A521 I522 A525 Y533 I586 D588A521-I535 HydrophobicContact CB-CD1 4.41Å; A521-I535 WeakPolarHBondContact O-CD1 3.28Å; I522-I535 HydrophobicContact CG1-CD1 4.07Å; A525-I535 HydrophobicContact CB-CD1 4.28Å; Y533-I535 PolarHBondContact O-N 3.13Å; I535-I586 HydrophobicContact CG1-CB 4.41Å; I535-I586 HydrophobicContact CG1-CD1 4.41Å; I535-D588 HydrophobicContact CG2-CB 4.03Å
536L95.1Very high87.8Confident8 Ų847.8 Ų47.84%0.04224%0.243CC..  trans-106.796.1-179.9-52.3-175.4000109.8L303 N534 L571 I575 A578 Y585 I586 L587 D588L303-L536 HydrophobicContact CD1-CD1 4.33Å; L303-L536 HydrophobicContact CD1-CD2 3.64Å; N534-L536 PolarHBondContact O-N 3.08Å; L536-L571 HydrophobicContact CB-CD1 3.9Å; L536-I575 HydrophobicContact CD1-CG1 4.43Å; L536-A578 HydrophobicContact CD1-CB 3.76Å; L536-Y585 HydrophobicContact CD1-CD1 3.8Å; L536-Y585 HydrophobicContact CD1-CE1 4.4Å; L536-Y585 HydrophobicContact CD1-CG 4.42Å; L536-Y585 HydrophobicContact CG-CD1 4.18Å; L536-I586 PolarHBondContact N-O 2.89Å; L536-L587 HydrophobicContact CB-CD2 3.93Å; L536-L587 HydrophobicContact CD1-CD2 3.96Å; L536-L587 HydrophobicContact CG-CD2 4.42Å; L536-D588 PolarHBondContact O-N 2.91Å; L536-D588 VanDerWaalsContact O-N 3.1Å
537G92.3Very high86.1Confident1 Ų143.1 Ų43.11%0.0123%0.225CC..SBendtrans-151.2157176.900000111.6N539 A540 I541 D588G537-N539 VanDerWaalsContact C-N 3.25Å; G537-N539 PolarHBondContact O-N 2.81Å; G537-A540 PolarHBondContact O-N 2.93Å; G537-A540 VanDerWaalsContact O-N 3.12Å; G537-I541 PolarHBondContact O-N 3.49Å; G537-D588 WeakPolarHBondContact CA-O 3.14Å
538T87.9Confident84.1Confident20 Ų2042.8 Ų42.812%0.12322%0.224CC..Hα-helixtrans-62.7-34.4-177.1-45.50000111.3I541 M542 A567T538-I541 PolarHBondContact O-N 3.45Å; T538-M542 WeakPolarHBondContact O-CB 3.37Å; T538-M542 WeakPolarHBondContact O-CG 3.42Å; T538-M542 PolarHBondContact O-N 2.94Å; T538-A567 HydrophobicContact CG2-CB 3.84Å
539N84.9Confident82.1Confident57 Ų5742.5 Ų42.531%0.30523%0.231SC..Hα-helixtrans-57.8-51171.8-72.4-56000111.7G537 I541 M542 D543 K634G537-N539 VanDerWaalsContact C-N 3.25Å; G537-N539 PolarHBondContact O-N 2.81Å; N539-I541 VanDerWaalsContact C-N 3.28Å; N539-I541 PolarHBondContact O-N 2.68Å; N539-M542 PolarHBondContact O-N 3.33Å; N539-M542 VanDerWaalsContact O-N 3.13Å; N539-D543 PolarHBondContact O-N 2.81Å; N539-K634 PolarHBondContact OD1-NZ 3.16Å
540A87.2Confident80.2Confident34 Ų3445.9 Ų45.928%0.28125%0.245SC..Hα-helixtrans-62.5-33.8-177.600000112.9G537 K544G537-A540 PolarHBondContact O-N 2.93Å; G537-A540 VanDerWaalsContact O-N 3.12Å; A540-K544 PolarHBondContact O-N 3.17Å; A540-K544 VanDerWaalsContact O-N 3.13Å
541I88.1Confident78.6Confident7 Ų744.8 Ų44.84%0.03623%0.231CC..Hα-helixtrans-69.7-46.3173.1-67.6170.2000110.9L325 G537 T538 N539 D543 K544 M545 A567 C570 L571 L574L325-I541 HydrophobicContact CD1-CG2 4.05Å; L325-I541 HydrophobicContact CD2-CG2 4.29Å; G537-I541 PolarHBondContact O-N 3.49Å; T538-I541 PolarHBondContact O-N 3.45Å; N539-I541 VanDerWaalsContact C-N 3.28Å; N539-I541 PolarHBondContact O-N 2.68Å; I541-D543 PolarHBondContact O-N 3.31Å; I541-K544 CarbonylContact O-C 3.32Å; I541-K544 WeakPolarHBondContact O-CA 3.42Å; I541-K544 PolarHBondContact O-N 3.31Å; I541-M545 HydrophobicContact CG2-CE 4Å; I541-M545 HydrophobicContact CG2-SD 4.45Å; I541-M545 WeakPolarHBondContact O-CG 3.31Å; I541-M545 PolarHBondContact O-N 3.12Å; I541-A567 HydrophobicContact CB-CB 4.32Å; I541-A567 WeakPolarHBondContact CD1-O 3.31Å; I541-A567 HydrophobicContact CG2-CB 3.66Å; I541-C570 HydrophobicContact CD1-CB 4.18Å; I541-C570 HydrophobicContact CG2-CB 4.24Å; I541-L571 HydrophobicContact CD1-CB 3.55Å; I541-L571 HydrophobicContact CD1-CD1 3.93Å; I541-L571 HydrophobicContact CD1-CG 4.27Å; I541-L574 HydrophobicContact CD1-CD1 3.93Å; I541-L574 HydrophobicContact CG1-CD1 4.16Å
542M82.1Confident77Confident25 Ų2542.7 Ų42.712%0.12322%0.221CC..Hα-helixtrans-62.3-28.1176.4-68.1-69-7400112.4T538 N539 M545 W560 L563 I564 A567T538-M542 WeakPolarHBondContact O-CB 3.37Å; T538-M542 WeakPolarHBondContact O-CG 3.42Å; T538-M542 PolarHBondContact O-N 2.94Å; N539-M542 PolarHBondContact O-N 3.33Å; N539-M542 VanDerWaalsContact O-N 3.13Å; M542-M545 HydrophobicContact SD-SD 3.77Å; M542-W560 HydrophobicContact CE-CD2 4.47Å; M542-W560 HydrophobicContact CE-CE3 3.94Å; M542-W560 HydrophobicContact CE-CH2 3.21Å; M542-W560 HydrophobicContact CE-CZ2 3.83Å; M542-W560 HydrophobicContact CE-CZ3 3.28Å; M542-L563 HydrophobicContact CE-CB 3.85Å; M542-L563 HydrophobicContact SD-CB 4.16Å; M542-I564 HydrophobicContact CE-CG1 4.49Å; M542-A567 HydrophobicContact CG-CB 3.93Å; M542-A567 HydrophobicContact SD-CB 3.63Å
543D79.4Confident75Confident39 Ų3944.5 Ų44.521%0.20923%0.231CC..Hα-helixtrans-78-23.3171.9-80.2-51.2000113.8N539 I541 K546 R551N539-D543 PolarHBondContact O-N 2.81Å; I541-D543 PolarHBondContact O-N 3.31Å; D543-K546 WeakPolarHBondContact O-CD 3.35Å; D543-K546 WeakPolarHBondContact O-CE 3.45Å; D543-K546 WeakPolarHBondContact O-CG 3.43Å; D543-K546 WeakPolarHBondContact OD1-CE 3.47Å; D543-K546 IonicContact OD1-NZ 3.48Å; D543-R551 VanDerWaalsContact CG-NH2 3.3Å; D543-R551 IonicContact OD1-CZ 2.73Å; D543-R551 VanDerWaalsContact OD1-CZ 3.3Å; D543-R551 IonicContact OD1-NE 2.67Å; D543-R551 PolarHBondContact OD1-NE 2.81Å; D543-R551 IonicContact OD1-NH2 3.74Å; D543-R551 PolarHBondContact OD1-NH2 3.46Å; D543-R551 IonicContact OD2-CZ 3.63Å; D543-R551 IonicContact OD2-NE 3.43Å; D543-R551 IonicContact OD2-NH2 2.78Å; D543-R551 PolarHBondContact OD2-NH2 3.12Å
544K79.3Confident72.6Confident56 Ų5654.8 Ų54.824%0.24327%0.269CS..Hα-helixtrans-86.4-11.1168.2-74.4-174.7170.4-178.70114D302 L325 T376 A540 I541 K546D302-K544 IonicContact OD1-NZ 3.32Å; D302-K544 PolarHBondContact OD1-NZ 3.44Å; D302-K544 IonicContact OD2-NZ 3.97Å; L325-K544 HydrophobicContact CG-CB 4.47Å; T376-K544 PolarHBondContact OG1-NZ 2.95Å; A540-K544 PolarHBondContact O-N 3.17Å; A540-K544 VanDerWaalsContact O-N 3.13Å; I541-K544 CarbonylContact O-C 3.32Å; I541-K544 WeakPolarHBondContact O-CA 3.42Å; I541-K544 PolarHBondContact O-N 3.31Å; K544-K546 VanDerWaalsContact C-N 3.29Å
545M77.7Confident70.2Confident2 Ų259.8 Ų59.81%0.0130%0.296CS..THydrogen-bonded Turntrans-82.73.3169.4-72.2179.5169.100113.3Y324 L325 I541 M542 R552 A567Y324-M545 WeakPolarHBondContact O-CA 3.45Å; L325-M545 HydrophobicContact CD1-CE 3.49Å; L325-M545 VanDerWaalsContact CD1-CE 3.49Å; L325-M545 HydrophobicContact CD1-CG 3.53Å; L325-M545 HydrophobicContact CD1-SD 4.35Å; L325-M545 HydrophobicContact CG-CG 4.19Å; I541-M545 HydrophobicContact CG2-CE 4Å; I541-M545 HydrophobicContact CG2-SD 4.45Å; I541-M545 WeakPolarHBondContact O-CG 3.31Å; I541-M545 PolarHBondContact O-N 3.12Å; M542-M545 HydrophobicContact SD-SD 3.77Å; M545-R552 PolarHBondContact O-NE 3.38Å; M545-R552 PolarHBondContact O-NH2 3.26Å; M545-A567 HydrophobicContact CE-CB 3.96Å; M545-A567 HydrophobicContact SD-CB 4.25Å
546K68.3Low67.9Low53 Ų5359.1 Ų59.123%0.2329%0.291CS..  trans-57.7153.7-178-74.4169.3-173.6171.40113D543 K544 G549 L550 R551D543-K546 WeakPolarHBondContact O-CD 3.35Å; D543-K546 WeakPolarHBondContact O-CE 3.45Å; D543-K546 WeakPolarHBondContact O-CG 3.43Å; D543-K546 WeakPolarHBondContact OD1-CE 3.47Å; D543-K546 IonicContact OD1-NZ 3.48Å; K544-K546 VanDerWaalsContact C-N 3.29Å; K546-G549 WeakPolarHBondContact CD-O 3.4Å; K546-L550 WeakPolarHBondContact CA-O 3.19Å; K546-L550 WeakPolarHBondContact CB-O 3.35Å; K546-R551 HydrophobicContact CG-CG 4.45Å
547V57.5Low65.4Low45 Ų4563.6 Ų63.627%0.27333%0.329SS..BIsolated β-bridgetrans-119.5124.2171.7179.40000107.2P360 G549 L550 R552P360-V547 HydrophobicContact CG-CG1 3.94Å; V547-G549 VanDerWaalsContact C-N 3.27Å; V547-G549 PolarHBondContact O-N 3.36Å; V547-L550 PolarHBondContact N-O 3.14Å; V547-L550 VanDerWaalsContact N-O 3.15Å; V547-L550 PolarHBondContact O-N 2.79Å; V547-R552 HydrophobicContact CG2-CG 4.39Å
548M52.1Low63.5Low113 Ų11367.2 Ų67.256%0.55737%0.366SS*.THydrogen-bonded Turntrans50.442.8-177.4-59.4-60.8-71.500113.7L550M548-L550 PolarHBondContact O-N 2.89Å
549G50.8Low62.4Low35 Ų3572 Ų7236%0.36138%0.382SS..THydrogen-bonded Turntrans71.6-10.9-17700000115.5K546 V547K546-G549 WeakPolarHBondContact CD-O 3.4Å; V547-G549 VanDerWaalsContact C-N 3.27Å; V547-G549 PolarHBondContact O-N 3.36Å
550L49.1Very low61.5Low131 Ų13172.4 Ų72.469%0.68638%0.38SS*.BIsolated β-bridgetrans-89.4140.4-179.4-63.6174.7000111.7K546 V547 M548K546-L550 WeakPolarHBondContact CA-O 3.19Å; K546-L550 WeakPolarHBondContact CB-O 3.35Å; V547-L550 PolarHBondContact N-O 3.14Å; V547-L550 VanDerWaalsContact N-O 3.15Å; V547-L550 PolarHBondContact O-N 2.79Å; M548-L550 PolarHBondContact O-N 2.89Å
551R54.8Low60.7Low105 Ų10573.7 Ų73.740%0.39638%0.382SS..  trans-68.2134.8169.7-77.4-174.2171.7155.7-0.2109.8D543 K546 Q553D543-R551 VanDerWaalsContact CG-NH2 3.3Å; D543-R551 IonicContact OD1-CZ 2.73Å; D543-R551 VanDerWaalsContact OD1-CZ 3.3Å; D543-R551 IonicContact OD1-NE 2.67Å; D543-R551 PolarHBondContact OD1-NE 2.81Å; D543-R551 IonicContact OD1-NH2 3.74Å; D543-R551 PolarHBondContact OD1-NH2 3.46Å; D543-R551 IonicContact OD2-CZ 3.63Å; D543-R551 IonicContact OD2-NE 3.43Å; D543-R551 IonicContact OD2-NH2 2.78Å; D543-R551 PolarHBondContact OD2-NH2 3.12Å; K546-R551 HydrophobicContact CG-CG 4.45Å; R551-Q553 HydrophobicContact CB-CG 4.37Å; R551-Q553 VanDerWaalsContact CD-OE1 3.25Å; R551-Q553 PolarHBondContact O-N 2.97Å
552R56.8Low60.2Low26 Ų2676.7 Ų76.710%0.09840%0.4CS..G310 helixtrans-58.1-10.9-180-64.8-176.3-179.7-113.3-2.8115.1E359 M545 V547 R554 N555 Y556 L563E359-R552 IonicContact OE1-CZ 2.83Å; E359-R552 IonicContact OE1-NH1 2.71Å; E359-R552 IonicContact OE1-NH2 3.24Å; E359-R552 PolarHBondContact OE1-NH2 3.39Å; E359-R552 IonicContact OE2-CZ 2.62Å; E359-R552 IonicContact OE2-NH1 2.91Å; E359-R552 PolarHBondContact OE2-NH1 2.68Å; E359-R552 IonicContact OE2-NH2 3.87Å; E359-R552 PolarHBondContact OE2-NH2 2.87Å; M545-R552 PolarHBondContact O-NE 3.38Å; M545-R552 PolarHBondContact O-NH2 3.26Å; V547-R552 HydrophobicContact CG2-CG 4.39Å; R552-R554 VanDerWaalsContact C-N 3.33Å; R552-R554 PolarHBondContact O-N 2.96Å; R552-N555 PolarHBondContact O-N 3.12Å; R552-Y556 PolarHBondContact O-N 2.98Å; R552-L563 HydrophobicContact CB-CD1 4.04Å
553Q47.5Very low60Low77 Ų7775.6 Ų75.636%0.3640%0.395SS..G310 helixtrans-46.3-46.4-175.4-72.7176.9-77.200114.3R551 N555 W560R551-Q553 HydrophobicContact CB-CG 4.37Å; R551-Q553 VanDerWaalsContact CD-OE1 3.25Å; R551-Q553 PolarHBondContact O-N 2.97Å; Q553-N555 VanDerWaalsContact C-N 3.35Å; Q553-N555 PolarHBondContact O-N 2.86Å; Q553-W560 HydrophobicContact CB-CZ3 4.25Å; Q553-W560 HydrophobicContact CG-CE3 4.05Å; Q553-W560 HydrophobicContact CG-CH2 3.22Å; Q553-W560 HydrophobicContact CG-CZ2 3.82Å; Q553-W560 HydrophobicContact CG-CZ3 3.35Å
554R44.6Very low60.1Low234 Ų23475 Ų7588%0.88339%0.392SS*.G310 helixtrans-74.9-20.8-172.9-125.318076.1173.95.2114.6R552R552-R554 VanDerWaalsContact C-N 3.33Å; R552-R554 PolarHBondContact O-N 2.96Å
555N43.5Very low60.3Low143 Ų14377.2 Ų77.277%0.76540%0.403SS*.G310 helixtrans-108-0.2-172.3-638.6000113R552 Q553R552-N555 PolarHBondContact O-N 3.12Å; Q553-N555 VanDerWaalsContact C-N 3.35Å; Q553-N555 PolarHBondContact O-N 2.86Å
556Y47.3Very low60.8Low31 Ų3178.9 Ų78.912%0.12241%0.41CS..  trans-126.632.4-170-115.5-121.5000113.7P356 R552 G558 R559 W560 L563P356-Y556 WeakPolarHBondContact CG-OH 3.41Å; R552-Y556 PolarHBondContact O-N 2.98Å; Y556-G558 PolarHBondContact O-N 3.13Å; Y556-R559 HydrophobicContact CD1-CB 3.39Å; Y556-R559 HydrophobicContact CE1-CB 3.52Å; Y556-R559 HydrophobicContact CE1-CG 4.33Å; Y556-R559 HydrophobicContact CG-CB 4.25Å; Y556-R559 PolarHBondContact O-N 3Å; Y556-R559 PolarHBondContact OH-NH1 2.8Å; Y556-W560 PolarHBondContact O-N 3.26Å; Y556-L563 HydrophobicContact CD1-CD1 3.46Å; Y556-L563 VanDerWaalsContact CD1-CD1 3.46Å; Y556-L563 HydrophobicContact CD1-CG 3.89Å; Y556-L563 HydrophobicContact CE1-CD1 4.03Å; Y556-L563 HydrophobicContact CE1-CD2 4.31Å; Y556-L563 HydrophobicContact CE1-CG 4.09Å; Y556-L563 HydrophobicContact CG-CD1 4.07Å
557A41.6Very low61.7Low102 Ų10276.4 Ų76.484%0.84340%0.399SS*.THydrogen-bonded Turntrans-54.4119.7171.500000110.3
558G53.7Low63.2Low77 Ų7775.6 Ų75.679%0.79440%0.395SS*.THydrogen-bonded Turntrans90.3-3.1-176.200000116.5Y556Y556-G558 PolarHBondContact O-N 3.13Å
559R63.7Low65Low120 Ų12073 Ų7345%0.45338%0.381SS..THydrogen-bonded Turntrans-129.97.6173-66.5-171.4-158.2157.84.2114.4Y556 D561 V562 L563Y556-R559 HydrophobicContact CD1-CB 3.39Å; Y556-R559 HydrophobicContact CE1-CB 3.52Å; Y556-R559 HydrophobicContact CE1-CG 4.33Å; Y556-R559 HydrophobicContact CG-CB 4.25Å; Y556-R559 PolarHBondContact O-N 3Å; Y556-R559 PolarHBondContact OH-NH1 2.8Å; R559-D561 PolarHBondContact O-N 2.79Å; R559-V562 PolarHBondContact O-N 3.3Å; R559-L563 PolarHBondContact O-N 2.86Å
560W66.9Low67Low66 Ų6671.3 Ų71.325%0.2536%0.364CS..Hα-helixtrans-56.9-35.5-179.5-177.9-114.4000113M542 Q553 Y556 L563 I564M542-W560 HydrophobicContact CE-CD2 4.47Å; M542-W560 HydrophobicContact CE-CE3 3.94Å; M542-W560 HydrophobicContact CE-CH2 3.21Å; M542-W560 HydrophobicContact CE-CZ2 3.83Å; M542-W560 HydrophobicContact CE-CZ3 3.28Å; Q553-W560 HydrophobicContact CB-CZ3 4.25Å; Q553-W560 HydrophobicContact CG-CE3 4.05Å; Q553-W560 HydrophobicContact CG-CH2 3.22Å; Q553-W560 HydrophobicContact CG-CZ2 3.82Å; Q553-W560 HydrophobicContact CG-CZ3 3.35Å; Y556-W560 PolarHBondContact O-N 3.26Å; W560-L563 HydrophobicContact CE3-CD1 4.39Å; W560-L563 WeakPolarHBondContact O-CB 3.47Å; W560-L563 PolarHBondContact O-N 3.37Å; W560-I564 HydrophobicContact CG-CD1 4.48Å; W560-I564 PolarHBondContact O-N 3.49Å
561D70.4Confident69.1Low61 Ų6165.2 Ų65.233%0.32633%0.332SS..Hα-helixtrans-69.6-36-179.1-51.6-61.9000113R559 L563 I564 Q565 Q863R559-D561 PolarHBondContact O-N 2.79Å; D561-L563 VanDerWaalsContact C-N 3.28Å; D561-L563 PolarHBondContact O-N 2.94Å; D561-I564 PolarHBondContact O-N 3.18Å; D561-Q565 WeakPolarHBondContact O-CB 3.49Å; D561-Q565 PolarHBondContact O-N 3.14Å; D561-Q863 VanDerWaalsContact CG-CG 3.45Å; D561-Q863 VanDerWaalsContact OD1-CD 3.31Å; D561-Q863 WeakPolarHBondContact OD1-CG 3.19Å; D561-Q863 PolarHBondContact OD1-NE2 2.95Å; D561-Q863 PolarHBondContact OD2-NE2 3.42Å
562V77.1Confident70.8Confident70 Ų7062.7 Ų62.742%0.42433%0.326SS..Hα-helixtrans-60.8-43.6172.5-173.30000109R559 Q565 Q566R559-V562 PolarHBondContact O-N 3.3Å; V562-Q565 PolarHBondContact O-N 2.68Å; V562-Q566 HydrophobicContact CG1-CG 4.23Å; V562-Q566 VanDerWaalsContact O-CB 3.29Å; V562-Q566 WeakPolarHBondContact O-CB 3.25Å; V562-Q566 WeakPolarHBondContact O-CG 3.32Å; V562-Q566 PolarHBondContact O-N 3.29Å
563L77.6Confident72.6Confident1 Ų167.5 Ų67.51%0.00535%0.345CS..Hα-helixtrans-64.4-40.2175.4-64.6176.7000112.5Y324 M542 R552 Y556 R559 W560 D561 Q566 A567Y324-L563 HydrophobicContact CE2-CD2 4.39Å; M542-L563 HydrophobicContact CE-CB 3.85Å; M542-L563 HydrophobicContact SD-CB 4.16Å; R552-L563 HydrophobicContact CB-CD1 4.04Å; Y556-L563 HydrophobicContact CD1-CD1 3.46Å; Y556-L563 VanDerWaalsContact CD1-CD1 3.46Å; Y556-L563 HydrophobicContact CD1-CG 3.89Å; Y556-L563 HydrophobicContact CE1-CD1 4.03Å; Y556-L563 HydrophobicContact CE1-CD2 4.31Å; Y556-L563 HydrophobicContact CE1-CG 4.09Å; Y556-L563 HydrophobicContact CG-CD1 4.07Å; R559-L563 PolarHBondContact O-N 2.86Å; W560-L563 HydrophobicContact CE3-CD1 4.39Å; W560-L563 WeakPolarHBondContact O-CB 3.47Å; W560-L563 PolarHBondContact O-N 3.37Å; D561-L563 VanDerWaalsContact C-N 3.28Å; D561-L563 PolarHBondContact O-N 2.94Å; L563-Q566 PolarHBondContact O-N 3.33Å; L563-A567 VanDerWaalsContact O-CB 3.25Å; L563-A567 WeakPolarHBondContact O-CB 3.41Å; L563-A567 PolarHBondContact O-N 2.98Å
564I81.4Confident74.8Confident28 Ų2864.3 Ų64.314%0.14433%0.33CS..Hα-helixtrans-63-42.9174.6-70.6172.7000111.6M542 W560 D561 T568 Y867M542-I564 HydrophobicContact CE-CG1 4.49Å; W560-I564 HydrophobicContact CG-CD1 4.48Å; W560-I564 PolarHBondContact O-N 3.49Å; D561-I564 PolarHBondContact O-N 3.18Å; I564-T568 VanDerWaalsContact O-CB 3.31Å; I564-T568 WeakPolarHBondContact O-CB 3.5Å; I564-T568 PolarHBondContact O-N 3.48Å; I564-T568 PolarHBondContact O-OG1 2.89Å; I564-Y867 HydrophobicContact CG2-CD2 3.5Å; I564-Y867 VanDerWaalsContact CG2-CD2 3.5Å; I564-Y867 HydrophobicContact CG2-CE2 3.42Å; I564-Y867 VanDerWaalsContact CG2-CE2 3.42Å
565Q84.5Confident77.2Confident102 Ų10253.8 Ų53.848%0.47729%0.291SS..Hα-helixtrans-62.8-49.6177.6-174-179.42.700110.4D561 V562 A567 T568 Q569D561-Q565 WeakPolarHBondContact O-CB 3.49Å; D561-Q565 PolarHBondContact O-N 3.14Å; V562-Q565 PolarHBondContact O-N 2.68Å; Q565-A567 PolarHBondContact O-N 2.73Å; Q565-T568 CarbonylContact O-C 3.53Å; Q565-T568 WeakPolarHBondContact O-CA 3.37Å; Q565-T568 WeakPolarHBondContact O-CB 3.35Å; Q565-T568 PolarHBondContact O-N 2.78Å; Q565-Q569 PolarHBondContact O-N 2.84Å; Q565-Q569 PolarHBondContact O-OE1 3Å
566Q86.8Confident79.5Confident37 Ų3751.3 Ų51.317%0.17328%0.275CS..Hα-helixtrans-61.4-44177.8-69-66.1-2600112G321 V562 L563 T568 Q569 C570G321-Q566 VanDerWaalsContact CA-OE1 3.27Å; V562-Q566 HydrophobicContact CG1-CG 4.23Å; V562-Q566 VanDerWaalsContact O-CB 3.29Å; V562-Q566 WeakPolarHBondContact O-CB 3.25Å; V562-Q566 WeakPolarHBondContact O-CG 3.32Å; V562-Q566 PolarHBondContact O-N 3.29Å; L563-Q566 PolarHBondContact O-N 3.33Å; Q566-T568 VanDerWaalsContact C-N 3.26Å; Q566-T568 PolarHBondContact O-N 3.43Å; Q566-Q569 PolarHBondContact O-N 3.31Å; Q566-C570 PolarHBondContact O-N 3.44Å; Q566-C570 PolarHBondContact O-SG 3.39Å
567A88.1Confident81.7Confident0 Ų051.3 Ų51.30%028%0.277CS..Hα-helixtrans-64.2-30.5173.700000112.6T538 I541 M542 M545 L563 Q565 L571T538-A567 HydrophobicContact CG2-CB 3.84Å; I541-A567 HydrophobicContact CB-CB 4.32Å; I541-A567 WeakPolarHBondContact CD1-O 3.31Å; I541-A567 HydrophobicContact CG2-CB 3.66Å; M542-A567 HydrophobicContact CG-CB 3.93Å; M542-A567 HydrophobicContact SD-CB 3.63Å; M545-A567 HydrophobicContact CE-CB 3.96Å; M545-A567 HydrophobicContact SD-CB 4.25Å; L563-A567 VanDerWaalsContact O-CB 3.25Å; L563-A567 WeakPolarHBondContact O-CB 3.41Å; L563-A567 PolarHBondContact O-N 2.98Å; Q565-A567 PolarHBondContact O-N 2.73Å; A567-L571 WeakPolarHBondContact O-CB 3.33Å; A567-L571 PolarHBondContact O-N 2.93Å
568T89.2Confident84.2Confident28 Ų2846.4 Ų46.417%0.17224%0.236CC..Hα-helixtrans-75.5-35.8175.1-58.60000112.1I564 Q565 Q566 L571 N572I564-T568 VanDerWaalsContact O-CB 3.31Å; I564-T568 WeakPolarHBondContact O-CB 3.5Å; I564-T568 PolarHBondContact O-N 3.48Å; I564-T568 PolarHBondContact O-OG1 2.89Å; Q565-T568 CarbonylContact O-C 3.53Å; Q565-T568 WeakPolarHBondContact O-CA 3.37Å; Q565-T568 WeakPolarHBondContact O-CB 3.35Å; Q565-T568 PolarHBondContact O-N 2.78Å; Q566-T568 VanDerWaalsContact C-N 3.26Å; Q566-T568 PolarHBondContact O-N 3.43Å; T568-L571 PolarHBondContact O-N 3.03Å; T568-N572 PolarHBondContact O-N 2.85Å; T568-N572 VanDerWaalsContact O-N 3.15Å; T568-N572 PolarHBondContact O-ND2 3.18Å
569Q90.3Very high86.1Confident58 Ų5843.2 Ų43.227%0.27120%0.202SC..Hα-helixtrans-61.9-50.2169.5-72166-88.100110.4E320 Q565 Q566 L571 N572 R573E320-Q569 VanDerWaalsContact CD-NE2 3.25Å; E320-Q569 PolarHBondContact OE1-NE2 3.37Å; E320-Q569 PolarHBondContact OE2-NE2 2.94Å; Q565-Q569 PolarHBondContact O-N 2.84Å; Q565-Q569 PolarHBondContact O-OE1 3Å; Q566-Q569 PolarHBondContact O-N 3.31Å; Q569-L571 VanDerWaalsContact C-N 3.29Å; Q569-L571 PolarHBondContact O-N 3.12Å; Q569-N572 PolarHBondContact O-N 3.14Å; Q569-R573 PolarHBondContact O-N 3.47Å; Q569-R573 VanDerWaalsContact O-N 3.15Å
570C92.4Very high87.3Confident1 Ų143.9 Ų43.91%0.00721%0.205CC..Hα-helixtrans-53.4-45.8174-650000111.6F322 I541 Q566 N572 R573 L574F322-C570 HydrophobicContact CD1-CB 4.35Å; F322-C570 HydrophobicContact CE1-CB 3.94Å; F322-C570 HydrophobicContact CE2-CB 4.14Å; F322-C570 HydrophobicContact CZ-CB 3.84Å; F322-C570 WeakPolarHBondContact CZ-O 3.49Å; F322-C570 PolarHBondContact N-SG 3.41Å; F322-C570 VanDerWaalsContact N-SG 3.43Å; I541-C570 HydrophobicContact CD1-CB 4.18Å; I541-C570 HydrophobicContact CG2-CB 4.24Å; Q566-C570 PolarHBondContact O-N 3.44Å; Q566-C570 PolarHBondContact O-SG 3.39Å; C570-N572 PolarHBondContact O-N 3.3Å; C570-R573 PolarHBondContact O-N 2.88Å; C570-L574 WeakPolarHBondContact O-CB 3.49Å; C570-L574 WeakPolarHBondContact O-CG 3.42Å; C570-L574 PolarHBondContact O-N 3.38Å
571L93Very high88.5Confident2 Ų242.9 Ų42.91%0.0120%0.202CC..Hα-helixtrans-62.4-44.2-179.5-174.356.8000113.4L536 I541 A567 T568 Q569 R573 L574 I575 Q589L536-L571 HydrophobicContact CB-CD1 3.9Å; I541-L571 HydrophobicContact CD1-CB 3.55Å; I541-L571 HydrophobicContact CD1-CD1 3.93Å; I541-L571 HydrophobicContact CD1-CG 4.27Å; A567-L571 WeakPolarHBondContact O-CB 3.33Å; A567-L571 PolarHBondContact O-N 2.93Å; T568-L571 PolarHBondContact O-N 3.03Å; Q569-L571 VanDerWaalsContact C-N 3.29Å; Q569-L571 PolarHBondContact O-N 3.12Å; L571-R573 VanDerWaalsContact C-N 3.29Å; L571-R573 PolarHBondContact O-N 2.64Å; L571-L574 PolarHBondContact O-N 2.96Å; L571-I575 HydrophobicContact CD1-CD1 4.32Å; L571-I575 HydrophobicContact CD1-CG1 4.44Å; L571-I575 HydrophobicContact CG-CD1 4.11Å; L571-I575 VanDerWaalsContact O-CG1 3.3Å; L571-I575 WeakPolarHBondContact O-CG1 3.5Å; L571-I575 PolarHBondContact O-N 3.46Å; L571-Q589 VanDerWaalsContact CD2-CD 3.46Å; L571-Q589 HydrophobicContact CD2-CG 4Å
572N91.5Very high89.6Confident52 Ų5243.4 Ų43.428%0.27820%0.2SC..Hα-helixtrans-61.2-42177.1-74.4-82.9000110.3T568 Q569 C570 I575 E576 R599T568-N572 PolarHBondContact O-N 2.85Å; T568-N572 VanDerWaalsContact O-N 3.15Å; T568-N572 PolarHBondContact O-ND2 3.18Å; Q569-N572 PolarHBondContact O-N 3.14Å; C570-N572 PolarHBondContact O-N 3.3Å; N572-I575 PolarHBondContact O-N 3.32Å; N572-E576 PolarHBondContact O-N 3.09Å; N572-R599 PolarHBondContact OD1-NH1 3.11Å; N572-R599 PolarHBondContact OD1-NH2 2.9Å
573R93Very high90.4Very high128 Ų12840.2 Ų40.248%0.48318%0.18SC..Hα-helixtrans-69.5-35.3177.5-172.353.9167.2-169.4-5.8113.2F322 Q569 C570 L571 I575 E576 I577F322-R573 HydrophobicContact CE2-CB 3.9Å; F322-R573 HydrophobicContact CE2-CG 3.94Å; F322-R573 HydrophobicContact CZ-CB 4Å; F322-R573 HydrophobicContact CZ-CG 4.17Å; Q569-R573 PolarHBondContact O-N 3.47Å; Q569-R573 VanDerWaalsContact O-N 3.15Å; C570-R573 PolarHBondContact O-N 2.88Å; L571-R573 VanDerWaalsContact C-N 3.29Å; L571-R573 PolarHBondContact O-N 2.64Å; R573-I575 VanDerWaalsContact C-N 3.33Å; R573-E576 WeakPolarHBondContact CD-OE2 3.38Å; R573-E576 IonicContact CZ-OE2 2.66Å; R573-E576 IonicContact NE-OE2 2.67Å; R573-E576 IonicContact NH1-OE2 2.6Å; R573-E576 PolarHBondContact NH1-OE2 3.07Å; R573-E576 PolarHBondContact O-N 3.39Å; R573-I577 HydrophobicContact CG-CD1 4.19Å; R573-I577 WeakPolarHBondContact O-CD1 3.22Å; R573-I577 WeakPolarHBondContact O-CG1 3.23Å; R573-I577 PolarHBondContact O-N 3.39Å; R573-I577 VanDerWaalsContact O-N 3.12Å
574L94.6Very high91.3Very high10 Ų1040.6 Ų40.65%0.05218%0.182CC..Hα-helixtrans-64.8-36.4172.8-75.5-176.2000112.1L303 H304 F322 I541 C570 L571 I577 A578L303-L574 HydrophobicContact CB-CD2 3.7Å; L303-L574 HydrophobicContact CD1-CD2 4.35Å; H304-L574 HydrophobicContact CB-CD2 4.01Å; F322-L574 HydrophobicContact CE1-CD1 4.43Å; F322-L574 HydrophobicContact CE1-CD2 3.85Å; F322-L574 HydrophobicContact CE1-CG 3.9Å; F322-L574 HydrophobicContact CZ-CD2 4.15Å; F322-L574 HydrophobicContact CZ-CG 4.02Å; I541-L574 HydrophobicContact CD1-CD1 3.93Å; I541-L574 HydrophobicContact CG1-CD1 4.16Å; C570-L574 WeakPolarHBondContact O-CB 3.49Å; C570-L574 WeakPolarHBondContact O-CG 3.42Å; C570-L574 PolarHBondContact O-N 3.38Å; L571-L574 PolarHBondContact O-N 2.96Å; L574-I577 PolarHBondContact O-N 2.79Å; L574-A578 VanDerWaalsContact O-CB 3.25Å; L574-A578 WeakPolarHBondContact O-CB 3.31Å; L574-A578 PolarHBondContact O-N 3.29Å
575I93.6Very high92Very high12 Ų1239.3 Ų39.36%0.06218%0.175CC..Hα-helixtrans-63.6-41.5173.9-71.7166.3000111L536 L571 N572 R573 I577 A578 A579 L587 F604L536-I575 HydrophobicContact CD1-CG1 4.43Å; L571-I575 HydrophobicContact CD1-CD1 4.32Å; L571-I575 HydrophobicContact CD1-CG1 4.44Å; L571-I575 HydrophobicContact CG-CD1 4.11Å; L571-I575 VanDerWaalsContact O-CG1 3.3Å; L571-I575 WeakPolarHBondContact O-CG1 3.5Å; L571-I575 PolarHBondContact O-N 3.46Å; N572-I575 PolarHBondContact O-N 3.32Å; R573-I575 VanDerWaalsContact C-N 3.33Å; I575-I577 VanDerWaalsContact C-N 3.31Å; I575-I577 PolarHBondContact O-N 2.93Å; I575-A578 PolarHBondContact O-N 3.09Å; I575-A579 PolarHBondContact O-N 3.47Å; I575-L587 HydrophobicContact CD1-CD2 4.4Å; I575-L587 HydrophobicContact CG1-CD2 4.11Å; I575-F604 HydrophobicContact CG2-CE2 3.96Å; I575-F604 HydrophobicContact CG2-CZ 4.28Å
576E92.4Very high92.7Very high92 Ų9234.4 Ų34.443%0.4315%0.152SC..Hα-helixtrans-65.1-31.4175.7-68.1173.8177.300113.8N572 R573 R580N572-E576 PolarHBondContact O-N 3.09Å; R573-E576 WeakPolarHBondContact CD-OE2 3.38Å; R573-E576 IonicContact CZ-OE2 2.66Å; R573-E576 IonicContact NE-OE2 2.67Å; R573-E576 IonicContact NH1-OE2 2.6Å; R573-E576 PolarHBondContact NH1-OE2 3.07Å; R573-E576 PolarHBondContact O-N 3.39Å; E576-R580 PolarHBondContact O-NE 3.19Å
577I93.3Very high93.1Very high30 Ų3032.8 Ų32.815%0.15415%0.145CC..Hα-helixtrans-78.9-42.2176.4-67.1163.6000110.6L303 L317 R573 L574 I575 A579 R580 K581L303-I577 HydrophobicContact CB-CG2 4.36Å; L317-I577 HydrophobicContact CD1-CD1 3.82Å; R573-I577 HydrophobicContact CG-CD1 4.19Å; R573-I577 WeakPolarHBondContact O-CD1 3.22Å; R573-I577 WeakPolarHBondContact O-CG1 3.23Å; R573-I577 PolarHBondContact O-N 3.39Å; R573-I577 VanDerWaalsContact O-N 3.12Å; L574-I577 PolarHBondContact O-N 2.79Å; I575-I577 VanDerWaalsContact C-N 3.31Å; I575-I577 PolarHBondContact O-N 2.93Å; I577-A579 VanDerWaalsContact C-N 3.3Å; I577-A579 PolarHBondContact O-N 2.95Å; I577-R580 PolarHBondContact O-N 3.33Å; I577-K581 HydrophobicContact CG2-CD 4.11Å; I577-K581 PolarHBondContact O-N 3.04Å
578A94.6Very high93.4Very high0 Ų033.1 Ų33.10%015%0.147CC..Hα-helixtrans-58.9-39.3179.200000112.6L303 L536 L574 I575 R580 K581 Y585 F604L303-A578 HydrophobicContact CD1-CB 4.06Å; L536-A578 HydrophobicContact CD1-CB 3.76Å; L574-A578 VanDerWaalsContact O-CB 3.25Å; L574-A578 WeakPolarHBondContact O-CB 3.31Å; L574-A578 PolarHBondContact O-N 3.29Å; I575-A578 PolarHBondContact O-N 3.09Å; A578-R580 PolarHBondContact O-N 3.46Å; A578-K581 PolarHBondContact O-N 3.01Å; A578-K581 VanDerWaalsContact O-N 3.16Å; A578-Y585 HydrophobicContact CB-CD1 3.95Å; A578-Y585 HydrophobicContact CB-CD2 4.25Å; A578-Y585 HydrophobicContact CB-CE1 3.57Å; A578-Y585 HydrophobicContact CB-CE2 3.86Å; A578-Y585 HydrophobicContact CB-CG 4.3Å; A578-Y585 VanDerWaalsContact O-CE2 3.31Å; A578-Y585 WeakPolarHBondContact O-CE2 3.3Å; A578-Y585 PolarHBondContact O-OH 3.49Å; A578-F604 HydrophobicContact CB-CE1 3.83Å; A578-F604 HydrophobicContact CB-CZ 3.86Å
579A93.1Very high93.5Very high9 Ų933.2 Ų33.27%0.07415%0.145CC..THydrogen-bonded Turntrans-61.1-12.917600000114.8K501 I575 I577 P603 F604K501-A579 PolarHBondContact NZ-O 3.15Å; I575-A579 PolarHBondContact O-N 3.47Å; I577-A579 VanDerWaalsContact C-N 3.3Å; I577-A579 PolarHBondContact O-N 2.95Å; A579-P603 HydrophobicContact CB-CB 3.61Å; A579-F604 HydrophobicContact CB-CD1 4.15Å; A579-F604 HydrophobicContact CB-CE1 4.02Å; A579-F604 HydrophobicContact CB-CE2 4.39Å; A579-F604 HydrophobicContact CB-CG 4.4Å; A579-F604 HydrophobicContact CB-CZ 4.14Å
580R90.3Very high93.3Very high134 Ų13432 Ų3251%0.50614%0.142SC..THydrogen-bonded Turntrans-1169.2-179-48-178-163.5-1600.3113.8E576 I577 A578E576-R580 PolarHBondContact O-NE 3.19Å; I577-R580 PolarHBondContact O-N 3.33Å; A578-R580 PolarHBondContact O-N 3.46Å
581K91.4Very high93.3Very high45 Ų4532.2 Ų32.220%0.19614%0.143CC..SBendtrans-124.5134.3177.8-77.5-176.2170.9-179.20109L303 I577 A578 R583 Y585L303-K581 HydrophobicContact CD2-CD 3.81Å; L303-K581 PolarHBondContact O-NZ 3.43Å; I577-K581 HydrophobicContact CG2-CD 4.11Å; I577-K581 PolarHBondContact O-N 3.04Å; A578-K581 PolarHBondContact O-N 3.01Å; A578-K581 VanDerWaalsContact O-N 3.16Å; K581-R583 HydrophobicContact CB-CG 4.41Å; K581-R583 PolarHBondContact O-N 3.43Å; K581-Y585 WeakPolarHBondContact CB-OH 3.41Å; K581-Y585 PolarHBondContact O-OH 3.03Å
582R92.6Very high93.3Very high73 Ų7332.2 Ų32.228%0.27514%0.143SC..  trans-79.882.3-176.5-62.7-179.5-169.7175.112.9110.3E283 P498 A499 C504E283-R582 IonicContact OE2-CZ 3.85Å; E283-R582 IonicContact OE2-NE 2.98Å; E283-R582 PolarHBondContact OE2-NE 3.22Å; E283-R582 IonicContact OE2-NH2 2.72Å; E283-R582 PolarHBondContact OE2-NH2 3.36Å; P498-R582 WeakPolarHBondContact CD-O 3.48Å; A499-R582 PolarHBondContact O-NH1 2.82Å; C504-R582 VanDerWaalsContact SG-C 3.58Å
583R94.8Very high93.2Very high3 Ų331.7 Ų31.71%0.01114%0.137CC..SBendtrans-145.1169.7178.1-38.8-171.1-176.3174.9-6.2112.6T298 Y299 C301 C504 N534 K581 Y585T298-R583 PolarHBondContact O-NH2 3.36Å; Y299-R583 HydrophobicContact CD2-CB 4.41Å; Y299-R583 HydrophobicContact CD2-CG 3.74Å; Y299-R583 HydrophobicContact CE2-CB 3.89Å; Y299-R583 HydrophobicContact CE2-CG 3.74Å; Y299-R583 PolarHBondContact O-NE 2.88Å; Y299-R583 PolarHBondContact O-NH1 2.78Å; Y299-R583 PolarHBondContact O-NH2 3.06Å; C301-R583 PolarHBondContact O-NH1 3.49Å; C301-R583 PolarHBondContact O-NH2 3.46Å; C301-R583 PolarHBondContact SG-NH2 2.96Å; C301-R583 VanDerWaalsContact SG-NH2 3.37Å; C504-R583 WeakPolarHBondContact CB-O 3.37Å; N534-R583 PolarHBondContact OD1-NH1 3.2Å; K581-R583 HydrophobicContact CB-CG 4.41Å; K581-R583 PolarHBondContact O-N 3.43Å; R583-Y585 HydrophobicContact CB-CE1 4.29Å; R583-Y585 HydrophobicContact CB-CE2 4.04Å; R583-Y585 VanDerWaalsContact O-CD2 3.27Å; R583-Y585 WeakPolarHBondContact O-CD2 3.34Å; R583-Y585 VanDerWaalsContact O-CE2 3.22Å; R583-Y585 WeakPolarHBondContact O-CE2 3.24Å
584N95.9Very high93.1Very high9 Ų926.9 Ų26.95%0.04813%0.128CC..  trans-90.4140.6173.2-57-53.3000111.1C504 E505 K531 Y533 N534C504-N584 WeakPolarHBondContact CA-OD1 3.45Å; E505-N584 PolarHBondContact N-OD1 2.75Å; E505-N584 CarbonylContact O-C 3.51Å; E505-N584 VanDerWaalsContact O-CA 3.27Å; E505-N584 WeakPolarHBondContact O-CA 3.45Å; K531-N584 WeakPolarHBondContact O-CB 3.32Å; K531-N584 PolarHBondContact O-ND2 2.95Å; Y533-N584 HydrophobicContact CD1-CB 3.64Å; Y533-N584 HydrophobicContact CE1-CB 3.93Å; Y533-N584 HydrophobicContact CG-CB 4.34Å; N534-N584 PolarHBondContact N-O 2.71Å; N534-N584 PolarHBondContact ND2-O 2.61Å
585Y97.4Very high92.7Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-134.6147-170.3-65.1-67.6000112.7L303 E505 I506 L507 N534 L536 A578 K581 R583 F604 F607L303-Y585 HydrophobicContact CD1-CE1 3.93Å; L303-Y585 HydrophobicContact CD2-CE1 3.99Å; L303-Y585 WeakPolarHBondContact CD2-OH 3.4Å; L303-Y585 HydrophobicContact CG-CE1 4.48Å; E505-Y585 PolarHBondContact O-N 2.93Å; I506-Y585 WeakPolarHBondContact CA-O 3.49Å; L507-Y585 PolarHBondContact N-O 2.99Å; N534-Y585 HydrophobicContact CB-CD1 3.57Å; N534-Y585 HydrophobicContact CB-CE1 3.68Å; N534-Y585 WeakPolarHBondContact O-CA 3.29Å; L536-Y585 HydrophobicContact CD1-CD1 3.8Å; L536-Y585 HydrophobicContact CD1-CE1 4.4Å; L536-Y585 HydrophobicContact CD1-CG 4.42Å; L536-Y585 HydrophobicContact CG-CD1 4.18Å; A578-Y585 HydrophobicContact CB-CD1 3.95Å; A578-Y585 HydrophobicContact CB-CD2 4.25Å; A578-Y585 HydrophobicContact CB-CE1 3.57Å; A578-Y585 HydrophobicContact CB-CE2 3.86Å; A578-Y585 HydrophobicContact CB-CG 4.3Å; A578-Y585 VanDerWaalsContact O-CE2 3.31Å; A578-Y585 WeakPolarHBondContact O-CE2 3.3Å; A578-Y585 PolarHBondContact O-OH 3.49Å; K581-Y585 WeakPolarHBondContact CB-OH 3.41Å; K581-Y585 PolarHBondContact O-OH 3.03Å; R583-Y585 HydrophobicContact CB-CE1 4.29Å; R583-Y585 HydrophobicContact CB-CE2 4.04Å; R583-Y585 VanDerWaalsContact O-CD2 3.27Å; R583-Y585 WeakPolarHBondContact O-CD2 3.34Å; R583-Y585 VanDerWaalsContact O-CE2 3.22Å; R583-Y585 WeakPolarHBondContact O-CE2 3.24Å; Y585-F604 AromaticContact CD2-CE1 3.96Å; Y585-F604 HydrophobicContact CD2-CE1 3.96Å; Y585-F604 HydrophobicContact CE2-CE1 4.3Å; Y585-F607 HydrophobicContact CD2-CE1 4.04Å; Y585-F607 AromaticContact CE2-CE1 3.91Å; Y585-F607 HydrophobicContact CE2-CE1 3.91Å; Y585-F607 HydrophobicContact CE2-CZ 4.45Å
586I97.6Very high92.5Very high0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-127.2118.5168.4-53.9178.3000109L507 M509 A521 Y533 N534 I535 L536 D588L507-I586 HydrophobicContact CB-CG1 4.24Å; L507-I586 HydrophobicContact CB-CG2 4.36Å; L507-I586 HydrophobicContact CD1-CD1 4.44Å; L507-I586 HydrophobicContact CD1-CG1 4.27Å; L507-I586 CarbonylContact O-C 3.19Å; L507-I586 WeakPolarHBondContact O-CA 3.15Å; M509-I586 HydrophobicContact CG-CG2 3.89Å; M509-I586 HydrophobicContact SD-CG2 3.82Å; A521-I586 HydrophobicContact CB-CG2 3.8Å; Y533-I586 HydrophobicContact CD1-CD1 4.01Å; Y533-I586 HydrophobicContact CD1-CG1 3.68Å; Y533-I586 HydrophobicContact CD2-CD1 4.3Å; Y533-I586 HydrophobicContact CE1-CG1 4.34Å; Y533-I586 HydrophobicContact CG-CD1 3.82Å; Y533-I586 HydrophobicContact CG-CG1 3.96Å; N534-I586 PolarHBondContact O-N 3Å; I535-I586 HydrophobicContact CG1-CB 4.41Å; I535-I586 HydrophobicContact CG1-CD1 4.41Å; L536-I586 PolarHBondContact N-O 2.89Å; I586-D588 PolarHBondContact O-N 3.07Å
587L96.4Very high92.5Very high2 Ų227 Ų271%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-87.184.3177.3-57.9-175.3000110.4I506 L507 M508 M509 L536 I575 Q589 K600 M601I506-L587 HydrophobicContact CD1-CD1 3.9Å; I506-L587 HydrophobicContact CD1-CD2 4.14Å; I506-L587 HydrophobicContact CD1-CG 3.88Å; I506-L587 HydrophobicContact CG1-CD1 4.45Å; I506-L587 HydrophobicContact CG1-CG 4.18Å; L507-L587 PolarHBondContact O-N 3.13Å; M508-L587 HydrophobicContact CE-CD1 3.83Å; M509-L587 WeakPolarHBondContact CB-O 3.07Å; M509-L587 PolarHBondContact N-O 2.98Å; L536-L587 HydrophobicContact CB-CD2 3.93Å; L536-L587 HydrophobicContact CD1-CD2 3.96Å; L536-L587 HydrophobicContact CG-CD2 4.42Å; I575-L587 HydrophobicContact CD1-CD2 4.4Å; I575-L587 HydrophobicContact CG1-CD2 4.11Å; L587-Q589 VanDerWaalsContact C-N 3.33Å; L587-Q589 PolarHBondContact O-N 3.48Å; L587-K600 HydrophobicContact CD1-CB 4.21Å; L587-M601 HydrophobicContact CD1-SD 4.05Å
588D94.8Very high92.4Very high8 Ų832 Ų324%0.04316%0.156CC..  trans-7483.6175.2-178.935.4000111.5K517 T518 A521 I535 L536 G537 I586K517-D588 WeakPolarHBondContact CB-OD1 3.48Å; T518-D588 WeakPolarHBondContact CB-OD2 3.45Å; T518-D588 WeakPolarHBondContact CG2-OD2 3.37Å; T518-D588 PolarHBondContact N-OD1 3.06Å; T518-D588 PolarHBondContact OG1-OD1 3.25Å; T518-D588 PolarHBondContact OG1-OD2 3.2Å; A521-D588 HydrophobicContact CB-CB 4.48Å; I535-D588 HydrophobicContact CG2-CB 4.03Å; L536-D588 PolarHBondContact O-N 2.91Å; L536-D588 VanDerWaalsContact O-N 3.1Å; G537-D588 WeakPolarHBondContact CA-O 3.14Å; I586-D588 PolarHBondContact O-N 3.07Å
589Q90.5Very high92.2Very high29 Ų2939.2 Ų39.214%0.13618%0.184CC..SBendtrans-145.8168.9170-70.9-159.1-5300110.9K517 L571 L587 N591K517-Q589 VanDerWaalsContact CD-O 3.31Å; K517-Q589 WeakPolarHBondContact CD-O 3.5Å; K517-Q589 WeakPolarHBondContact CE-O 3.29Å; L571-Q589 VanDerWaalsContact CD2-CD 3.46Å; L571-Q589 HydrophobicContact CD2-CG 4Å; L587-Q589 VanDerWaalsContact C-N 3.33Å; L587-Q589 PolarHBondContact O-N 3.48Å; Q589-N591 PolarHBondContact O-ND2 3.24Å; Q589-N591 VanDerWaalsContact O-ND2 3.13Å
590T86.9Confident92.2Very high32 Ų3239.5 Ų39.520%0.19618%0.183CC..  trans-66-41-173.4-34.90000113.9G511 P513 V592 M644G511-T590 PolarHBondContact N-O 3.27Å; G511-T590 VanDerWaalsContact N-O 3.08Å; G511-T590 WeakPolarHBondContact O-CG2 3.44Å; P513-T590 HydrophobicContact CG-CG2 4.17Å; T590-V592 HydrophobicContact CG2-CG1 4.12Å; T590-V592 PolarHBondContact O-N 3.07Å; T590-M644 HydrophobicContact CG2-CE 4.3Å; T590-M644 HydrophobicContact CG2-SD 3.68Å
591N92.1Very high92.4Very high7 Ų733.1 Ų33.14%0.03716%0.159CC..  trans49.320.9169.2-59.5-42.6000117.7M508 M509 V510 Q589 Y593 R597 K600M508-N591 HydrophobicContact CG-CB 4.13Å; M508-N591 HydrophobicContact SD-CB 4.03Å; M509-N591 VanDerWaalsContact O-CB 3.31Å; M509-N591 WeakPolarHBondContact O-CB 3.48Å; M509-N591 PolarHBondContact O-ND2 3.43Å; V510-N591 HydrophobicContact CG2-CB 4.14Å; Q589-N591 PolarHBondContact O-ND2 3.24Å; Q589-N591 VanDerWaalsContact O-ND2 3.13Å; N591-Y593 PolarHBondContact O-N 3.15Å; N591-R597 HydrophobicContact CB-CG 4.33Å; N591-R597 WeakPolarHBondContact O-CD 3.12Å; N591-R597 WeakPolarHBondContact O-CG 3.18Å; N591-R597 PolarHBondContact O-NH1 3.15Å; N591-K600 PolarHBondContact OD1-NZ 3.26Å
592V92Very high92.4Very high1 Ų136.8 Ų36.81%0.00617%0.172CC..  trans-64.2-22.6-178.6-68.60000114.6L512 T590 R597 M644 F648 T649L512-V592 HydrophobicContact CD2-CG1 4.42Å; T590-V592 HydrophobicContact CG2-CG1 4.12Å; T590-V592 PolarHBondContact O-N 3.07Å; V592-R597 PolarHBondContact O-NH1 3.3Å; V592-M644 HydrophobicContact CG2-CB 4.17Å; V592-M644 HydrophobicContact CG2-CG 4.06Å; V592-M644 HydrophobicContact CG2-SD 4.36Å; V592-F648 HydrophobicContact CB-CB 3.83Å; V592-F648 HydrophobicContact CB-CD2 3.47Å; V592-F648 VanDerWaalsContact CB-CD2 3.47Å; V592-F648 HydrophobicContact CB-CE2 4.22Å; V592-F648 HydrophobicContact CB-CG 3.71Å; V592-F648 HydrophobicContact CG1-CB 4.11Å; V592-F648 HydrophobicContact CG1-CD1 3.96Å; V592-F648 HydrophobicContact CG1-CD2 3.45Å; V592-F648 VanDerWaalsContact CG1-CD2 3.45Å; V592-F648 HydrophobicContact CG1-CE1 4.28Å; V592-F648 HydrophobicContact CG1-CE2 3.82Å; V592-F648 HydrophobicContact CG1-CG 3.57Å; V592-F648 HydrophobicContact CG1-CZ 4.23Å; V592-T649 PolarHBondContact O-N 3.45Å; V592-T649 VanDerWaalsContact O-N 3.14Å; V592-T649 PolarHBondContact O-OG1 3.34Å
593Y90.8Very high92.4Very high41 Ų4136.3 Ų36.316%0.16118%0.178CC..SBendtrans-89.2123.2178.8-55.3-77000112.4N591 S595 A596 R597 E643 M644 N647N591-Y593 PolarHBondContact O-N 3.15Å; Y593-S595 VanDerWaalsContact C-N 3.29Å; Y593-S595 PolarHBondContact O-N 2.9Å; Y593-A596 WeakPolarHBondContact O-CB 3.37Å; Y593-A596 PolarHBondContact O-N 3.14Å; Y593-R597 PolarHBondContact O-N 3.24Å; Y593-E643 PolarHBondContact OH-OE1 2.88Å; Y593-M644 HydrophobicContact CE2-CG 4.42Å; Y593-N647 HydrophobicContact CD1-CB 3.92Å; Y593-N647 HydrophobicContact CE1-CB 3.45Å; Y593-N647 VanDerWaalsContact CE1-CB 3.45Å
594G89.1Confident92.4Very high28 Ų2836.1 Ų36.129%0.28918%0.177SC..Hα-helixtrans-60-31.7179.900000115.1R597 R598G594-R597 PolarHBondContact O-N 2.77Å; G594-R598 PolarHBondContact O-N 2.96Å
595S88.1Confident92.2Very high82 Ų8241.2 Ų41.257%0.57320%0.201SC*.Hα-helixtrans-62.9-44172.451.70000112.1Y593 R598 R599Y593-S595 VanDerWaalsContact C-N 3.29Å; Y593-S595 PolarHBondContact O-N 2.9Å; S595-R598 PolarHBondContact O-N 2.92Å; S595-R599 PolarHBondContact O-N 2.85Å
596A87.8Confident91.9Very high19 Ų1943.1 Ų43.116%0.15722%0.221CC..Hα-helixtrans-67.2-38.1177.100000112Y593 R599 K600Y593-A596 WeakPolarHBondContact O-CB 3.37Å; Y593-A596 PolarHBondContact O-N 3.14Å; A596-R599 PolarHBondContact O-N 3.26Å; A596-K600 WeakPolarHBondContact O-CG 3.2Å; A596-K600 PolarHBondContact O-N 3.29Å
597R93.1Very high91.9Very high16 Ų1643.3 Ų43.36%0.0622%0.221CC..Hα-helixtrans-58.3-53.8172.4-62.4-162.4-75-82.16.4110.9M508 N591 V592 Y593 G594 R599 K600 M601 T649 L650 F656M508-R597 HydrophobicContact SD-CB 3.8Å; M508-R597 HydrophobicContact SD-CG 3.59Å; M508-R597 VanDerWaalsContact SD-CG 3.59Å; N591-R597 HydrophobicContact CB-CG 4.33Å; N591-R597 WeakPolarHBondContact O-CD 3.12Å; N591-R597 WeakPolarHBondContact O-CG 3.18Å; N591-R597 PolarHBondContact O-NH1 3.15Å; V592-R597 PolarHBondContact O-NH1 3.3Å; Y593-R597 PolarHBondContact O-N 3.24Å; G594-R597 PolarHBondContact O-N 2.77Å; R597-R599 PolarHBondContact O-N 2.8Å; R597-K600 PolarHBondContact O-N 3.24Å; R597-M601 WeakPolarHBondContact O-CG 3.47Å; R597-M601 PolarHBondContact O-N 3.19Å; R597-T649 VanDerWaalsContact CZ-O 3.28Å; R597-T649 PolarHBondContact NH1-O 3.47Å; R597-T649 PolarHBondContact NH2-O 3.43Å; R597-T649 PolarHBondContact NH2-OG1 3.4Å; R597-L650 PolarHBondContact NH2-O 2.82Å; R597-F656 HydrophobicContact CB-CE2 4.48Å
598R91.8Very high91.8Very high133 Ų13346.5 Ų46.550%0.50224%0.236SC..Hα-helixtrans-58-42178.6-174.1179.1-69.1169.7-2.4112.9G594 S595 K600 R602 F656G594-R598 PolarHBondContact O-N 2.96Å; S595-R598 PolarHBondContact O-N 2.92Å; R598-K600 PolarHBondContact O-N 3.46Å; R598-R602 HydrophobicContact CG-CG 4.38Å; R598-R602 WeakPolarHBondContact O-CB 3.36Å; R598-R602 VanDerWaalsContact O-CG 3.29Å; R598-R602 WeakPolarHBondContact O-CG 3.08Å; R598-R602 PolarHBondContact O-N 3.42Å; R598-F656 HydrophobicContact CB-CD2 4.41Å; R598-F656 HydrophobicContact CB-CE1 4.09Å; R598-F656 HydrophobicContact CB-CE2 3.9Å; R598-F656 HydrophobicContact CB-CZ 3.73Å; R598-F656 HydrophobicContact CG-CD1 4.07Å; R598-F656 HydrophobicContact CG-CE1 3.86Å; R598-F656 HydrophobicContact CG-CE2 4.42Å; R598-F656 HydrophobicContact CG-CG 4.46Å; R598-F656 HydrophobicContact CG-CZ 4.04Å
599R89.7Confident91.9Very high152 Ų15247.6 Ų47.657%0.57424%0.24SC*.Hα-helixtrans-62.3-40.5178.6-177171.171.685.6-10.2112.4N572 S595 A596 R597 P603N572-R599 PolarHBondContact OD1-NH1 3.11Å; N572-R599 PolarHBondContact OD1-NH2 2.9Å; S595-R599 PolarHBondContact O-N 2.85Å; A596-R599 PolarHBondContact O-N 3.26Å; R597-R599 PolarHBondContact O-N 2.8Å; R599-P603 WeakPolarHBondContact O-CD 3.36Å
600K92.3Very high92.2Very high15 Ų1548.4 Ų48.47%0.06524%0.243CC..Hα-helixtrans-86.6-31.1-173.2-64.1173.2-165.2178.90114M508 L587 N591 A596 R597 R598 P603 F604M508-K600 HydrophobicContact CE-CB 3.75Å; M508-K600 HydrophobicContact CE-CD 4.14Å; L587-K600 HydrophobicContact CD1-CB 4.21Å; N591-K600 PolarHBondContact OD1-NZ 3.26Å; A596-K600 WeakPolarHBondContact O-CG 3.2Å; A596-K600 PolarHBondContact O-N 3.29Å; R597-K600 PolarHBondContact O-N 3.24Å; R598-K600 PolarHBondContact O-N 3.46Å; K600-P603 WeakPolarHBondContact O-CD 3.45Å; K600-F604 VanDerWaalsContact O-CD2 3.31Å; K600-F604 WeakPolarHBondContact O-CD2 3.47Å; K600-F604 WeakPolarHBondContact O-CE2 3.44Å
601M94.3Very high92.7Very high0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-85.8-25.3-179.3-60.4-58-87.800113.8I506 M508 L587 R597 F604 R609 F656 L657I506-M601 HydrophobicContact CD1-SD 4.47Å; I506-M601 HydrophobicContact CG1-CE 4.49Å; I506-M601 HydrophobicContact CG2-CE 4.03Å; M508-M601 HydrophobicContact CB-CE 4Å; M508-M601 HydrophobicContact CB-SD 3.81Å; M508-M601 HydrophobicContact CE-CG 3.63Å; M508-M601 HydrophobicContact CE-SD 3.64Å; M508-M601 HydrophobicContact SD-CG 4.01Å; M508-M601 HydrophobicContact SD-SD 4.23Å; L587-M601 HydrophobicContact CD1-SD 4.05Å; R597-M601 WeakPolarHBondContact O-CG 3.47Å; R597-M601 PolarHBondContact O-N 3.19Å; M601-F604 PolarHBondContact O-N 2.97Å; M601-R609 HydrophobicContact CE-CB 3.78Å; M601-R609 HydrophobicContact CE-CG 4.03Å; M601-F656 HydrophobicContact CB-CB 4.46Å; M601-F656 HydrophobicContact CB-CD2 4.07Å; M601-F656 WeakPolarHBondContact CB-O 3.09Å; M601-L657 HydrophobicContact CE-CD1 3.89Å
602R91.9Very high92.9Very high123 Ų12347 Ų4746%0.46423%0.234SC..G310 helixtrans-56.9-40.6179.4-89.5-178.2169-155.1-5.7115.2R598 F604 E605 F656R598-R602 HydrophobicContact CG-CG 4.38Å; R598-R602 WeakPolarHBondContact O-CB 3.36Å; R598-R602 VanDerWaalsContact O-CG 3.29Å; R598-R602 WeakPolarHBondContact O-CG 3.08Å; R598-R602 PolarHBondContact O-N 3.42Å; R602-F604 PolarHBondContact O-N 3.49Å; R602-E605 PolarHBondContact O-N 3.17Å; R602-F656 HydrophobicContact CG-CB 4.23Å
603P93.6Very high93.1Very high62 Ų6247 Ų4740%0.40323%0.234SC..G310 helixtrans-60.1-26.9176.5-28.137.2000114.7A579 R599 K600 E605A579-P603 HydrophobicContact CB-CB 3.61Å; R599-P603 WeakPolarHBondContact O-CD 3.36Å; K600-P603 WeakPolarHBondContact O-CD 3.45Å; P603-E605 PolarHBondContact O-N 2.73Å; P603-E605 VanDerWaalsContact O-N 3.11Å
604F94.7Very high93.3Very high0 Ų045.2 Ų45.20%023%0.228CC..G310 helixtrans-85.936.4-178.9-60.3-91.3000112.2I506 I575 A578 A579 Y585 K600 M601 R602 G606 F607 R609I506-F604 HydrophobicContact CD1-CD1 3.61Å; I506-F604 HydrophobicContact CD1-CD2 3.51Å; I506-F604 HydrophobicContact CD1-CE1 3.52Å; I506-F604 HydrophobicContact CD1-CE2 3.43Å; I506-F604 VanDerWaalsContact CD1-CE2 3.43Å; I506-F604 HydrophobicContact CD1-CG 3.6Å; I506-F604 HydrophobicContact CD1-CZ 3.44Å; I506-F604 VanDerWaalsContact CD1-CZ 3.44Å; I506-F604 HydrophobicContact CG2-CB 4.01Å; I506-F604 HydrophobicContact CG2-CD1 4.42Å; I506-F604 HydrophobicContact CG2-CG 4.19Å; I575-F604 HydrophobicContact CG2-CE2 3.96Å; I575-F604 HydrophobicContact CG2-CZ 4.28Å; A578-F604 HydrophobicContact CB-CE1 3.83Å; A578-F604 HydrophobicContact CB-CZ 3.86Å; A579-F604 HydrophobicContact CB-CD1 4.15Å; A579-F604 HydrophobicContact CB-CE1 4.02Å; A579-F604 HydrophobicContact CB-CE2 4.39Å; A579-F604 HydrophobicContact CB-CG 4.4Å; A579-F604 HydrophobicContact CB-CZ 4.14Å; Y585-F604 AromaticContact CD2-CE1 3.96Å; Y585-F604 HydrophobicContact CD2-CE1 3.96Å; Y585-F604 HydrophobicContact CE2-CE1 4.3Å; K600-F604 VanDerWaalsContact O-CD2 3.31Å; K600-F604 WeakPolarHBondContact O-CD2 3.47Å; K600-F604 WeakPolarHBondContact O-CE2 3.44Å; M601-F604 PolarHBondContact O-N 2.97Å; R602-F604 PolarHBondContact O-N 3.49Å; F604-G606 PolarHBondContact O-N 2.94Å; F604-F607 HydrophobicContact CB-CB 4.07Å; F604-F607 HydrophobicContact CB-CD2 3.85Å; F604-F607 HydrophobicContact CB-CE2 4.46Å; F604-F607 HydrophobicContact CB-CG 3.99Å; F604-F607 HydrophobicContact CD1-CD1 4.11Å; F604-F607 HydrophobicContact CD1-CD2 4.12Å; F604-F607 HydrophobicContact CD1-CE1 4.05Å; F604-F607 HydrophobicContact CD1-CE2 4.05Å; F604-F607 HydrophobicContact CD1-CG 4.16Å; F604-F607 HydrophobicContact CD1-CZ 4.01Å; F604-F607 HydrophobicContact CG-CD2 4.5Å; F604-F607 WeakPolarHBondContact O-CB 3.43Å; F604-F607 PolarHBondContact O-N 3.48Å; F604-R609 HydrophobicContact CB-CG 4.35Å; F604-R609 VanDerWaalsContact O-CD 3.29Å; F604-R609 WeakPolarHBondContact O-CD 3.31Å
605E92.3Very high93.5Very high115 Ų11544.4 Ų44.454%0.53722%0.217SC..THydrogen-bonded Turntrans-57125.7173.3-170.4173.1-157.900109.9Q279 R602 P603Q279-E605 PolarHBondContact NE2-OE2 3.36Å; R602-E605 PolarHBondContact O-N 3.17Å; P603-E605 PolarHBondContact O-N 2.73Å; P603-E605 VanDerWaalsContact O-N 3.11Å
606G90.9Very high93.7Very high41 Ų4140.7 Ų40.742%0.42319%0.191SC..THydrogen-bonded Turntrans89.8-4.9-175.300000116.2K501 S502 F604K501-G606 CarbonylContact C-O 3.57Å; K501-G606 WeakPolarHBondContact CB-O 3.42Å; K501-G606 VanDerWaalsContact O-O 3.06Å; S502-G606 WeakPolarHBondContact CA-O 3.49Å; S502-G606 PolarHBondContact N-O 3.05Å; S502-G606 VanDerWaalsContact N-O 3.16Å; F604-G606 PolarHBondContact O-N 2.94Å
607F95.9Very high93.8Very high3 Ų342.3 Ų42.31%0.01320%0.199CC..SBendtrans-87.5156.6168.5-70.1-117.4000110.9K501 C504 I506 Y585 F604 R609K501-F607 HydrophobicContact CD-CD2 4.42Å; K501-F607 HydrophobicContact CD-CE2 4.02Å; K501-F607 HydrophobicContact CG-CE2 4.48Å; K501-F607 WeakPolarHBondContact O-CA 3.03Å; C504-F607 HydrophobicContact CB-CD1 3.31Å; C504-F607 HydrophobicContact CB-CE1 3.5Å; C504-F607 VanDerWaalsContact CB-CE1 3.5Å; C504-F607 HydrophobicContact CB-CG 4.14Å; C504-F607 HydrophobicContact CB-CZ 4.46Å; I506-F607 HydrophobicContact CG2-CB 4.05Å; Y585-F607 HydrophobicContact CD2-CE1 4.04Å; Y585-F607 AromaticContact CE2-CE1 3.91Å; Y585-F607 HydrophobicContact CE2-CE1 3.91Å; Y585-F607 HydrophobicContact CE2-CZ 4.45Å; F604-F607 HydrophobicContact CB-CB 4.07Å; F604-F607 HydrophobicContact CB-CD2 3.85Å; F604-F607 HydrophobicContact CB-CE2 4.46Å; F604-F607 HydrophobicContact CB-CG 3.99Å; F604-F607 HydrophobicContact CD1-CD1 4.11Å; F604-F607 HydrophobicContact CD1-CD2 4.12Å; F604-F607 HydrophobicContact CD1-CE1 4.05Å; F604-F607 HydrophobicContact CD1-CE2 4.05Å; F604-F607 HydrophobicContact CD1-CG 4.16Å; F604-F607 HydrophobicContact CD1-CZ 4.01Å; F604-F607 HydrophobicContact CG-CD2 4.5Å; F604-F607 WeakPolarHBondContact O-CB 3.43Å; F604-F607 PolarHBondContact O-N 3.48Å; F607-R609 HydrophobicContact CB-CG 4.42Å; F607-R609 WeakPolarHBondContact O-CG 3.39Å; F607-R609 PolarHBondContact O-N 2.84Å; F607-R609 PolarHBondContact O-NE 3.15Å
608Q95.6Very high93.6Very high70 Ų7043.6 Ų43.633%0.32721%0.207SC..EExtended strand (participates in β ladder)trans-69110.2165.8-63.9-178.232.200109.9S502 C504 E505 I506 K610 E658S502-Q608 WeakPolarHBondContact O-CG 3.38Å; S502-Q608 PolarHBondContact O-NE2 2.8Å; C504-Q608 PolarHBondContact O-N 3.43Å; E505-Q608 HydrophobicContact CB-CB 4.39Å; E505-Q608 HydrophobicContact CG-CB 4.41Å; I506-Q608 PolarHBondContact N-O 3.2Å; Q608-K610 VanDerWaalsContact OE1-NZ 3.17Å; Q608-E658 VanDerWaalsContact CA-OE2 3.22Å; Q608-E658 WeakPolarHBondContact CA-OE2 3.48Å
609R96.4Very high93.4Very high30 Ų3044.9 Ų44.911%0.11322%0.219CC..EExtended strand (participates in β ladder)trans-109.5103.5-169.3-75.7165.9-64.1163.920111.3I506 M601 F604 F607 D655 L657 E658I506-R609 HydrophobicContact CG2-CB 4.37Å; I506-R609 HydrophobicContact CG2-CG 3.64Å; M601-R609 HydrophobicContact CE-CB 3.78Å; M601-R609 HydrophobicContact CE-CG 4.03Å; F604-R609 HydrophobicContact CB-CG 4.35Å; F604-R609 VanDerWaalsContact O-CD 3.29Å; F604-R609 WeakPolarHBondContact O-CD 3.31Å; F607-R609 HydrophobicContact CB-CG 4.42Å; F607-R609 WeakPolarHBondContact O-CG 3.39Å; F607-R609 PolarHBondContact O-N 2.84Å; F607-R609 PolarHBondContact O-NE 3.15Å; R609-D655 PolarHBondContact NH1-O 2.92Å; R609-D655 PolarHBondContact NH2-O 3Å; R609-L657 CarbonylContact O-C 3.55Å; R609-E658 IonicContact CZ-OE1 3.48Å; R609-E658 PolarHBondContact N-OE2 3.45Å; R609-E658 IonicContact NE-OE1 2.68Å; R609-E658 PolarHBondContact NE-OE1 3.38Å; R609-E658 IonicContact NH2-OE1 3.5Å; R609-E658 PolarHBondContact NH2-OE1 3.24Å; R609-E658 PolarHBondContact O-N 3.18Å
610K96.8Very high93.4Very high46 Ų4640.4 Ų40.420%0.221%0.206CC..EExtended strand (participates in β ladder)trans-121147.4-175.1-48.4-176-176154.70111.4E505 I506 L507 M508 Q608 D659E505-K610 WeakPolarHBondContact OE1-CE 3.44Å; E505-K610 IonicContact OE1-NZ 2.96Å; E505-K610 PolarHBondContact OE1-NZ 3.21Å; I506-K610 PolarHBondContact O-N 3.01Å; L507-K610 HydrophobicContact CD2-CB 3.93Å; L507-K610 HydrophobicContact CD2-CD 4.31Å; L507-K610 HydrophobicContact CD2-CG 4.43Å; M508-K610 PolarHBondContact N-O 2.62Å; Q608-K610 VanDerWaalsContact OE1-NZ 3.17Å; K610-D659 CarbonylContact C-O 3.49Å; K610-D659 WeakPolarHBondContact CA-O 3.46Å; K610-D659 HydrophobicContact CB-CB 4.46Å; K610-D659 HydrophobicContact CD-CB 4.41Å; K610-D659 HydrophobicContact CG-CB 4.1Å
611A97.1Very high93.2Very high0 Ų040.5 Ų40.50%021%0.207CC..EExtended strand (participates in β ladder)trans-105.5137.1169.100000110.8M508 V510 P651 L657 D659 V660 A661M508-A611 CarbonylContact O-C 3.51Å; M508-A611 WeakPolarHBondContact O-CA 3.25Å; V510-A611 HydrophobicContact CG2-CB 4.27Å; A611-P651 HydrophobicContact CB-CB 3.97Å; A611-P651 HydrophobicContact CB-CG 3.83Å; A611-L657 HydrophobicContact CB-CD1 3.94Å; A611-L657 HydrophobicContact CB-CD2 3.85Å; A611-L657 HydrophobicContact CB-CG 4.36Å; A611-D659 PolarHBondContact N-O 3.32Å; A611-V660 HydrophobicContact CB-CG1 4.49Å; A611-V660 HydrophobicContact CB-CG2 4.38Å; A611-V660 WeakPolarHBondContact O-CA 3.26Å; A611-A661 PolarHBondContact O-N 3.22Å
612I97.2Very high92.9Very high11 Ų1146.3 Ų46.36%0.05623%0.232CC..EExtended strand (participates in β ladder)trans-110.8105.1176.3-52.3-57.1000107.8L507 M508 M509 V510 W520 I614 A661 V663L507-I612 HydrophobicContact CB-CG1 4.11Å; L507-I612 HydrophobicContact CD2-CD1 4.32Å; L507-I612 HydrophobicContact CD2-CG1 4.5Å; M508-I612 PolarHBondContact O-N 2.99Å; M509-I612 HydrophobicContact CE-CB 3.98Å; M509-I612 HydrophobicContact CE-CG2 3.73Å; M509-I612 HydrophobicContact SD-CB 3.93Å; M509-I612 HydrophobicContact SD-CG1 4.29Å; M509-I612 HydrophobicContact SD-CG2 4.25Å; V510-I612 PolarHBondContact N-O 2.6Å; W520-I612 HydrophobicContact CD2-CG2 4.07Å; W520-I612 HydrophobicContact CE3-CG2 4.05Å; W520-I612 HydrophobicContact CH2-CB 4.37Å; W520-I612 HydrophobicContact CH2-CD1 3.98Å; W520-I612 HydrophobicContact CH2-CG1 3.76Å; W520-I612 HydrophobicContact CH2-CG2 3.82Å; W520-I612 HydrophobicContact CZ2-CD1 4.45Å; W520-I612 HydrophobicContact CZ2-CG1 4.45Å; W520-I612 HydrophobicContact CZ2-CG2 3.79Å; W520-I612 HydrophobicContact CZ3-CB 4.36Å; W520-I612 HydrophobicContact CZ3-CG1 3.94Å; W520-I612 HydrophobicContact CZ3-CG2 3.94Å; I612-I614 HydrophobicContact CG2-CG1 4.34Å; I612-A661 HydrophobicContact CD1-CB 3.95Å; I612-V663 HydrophobicContact CG2-CG2 3.43Å; I612-V663 VanDerWaalsContact CG2-CG2 3.43Å
613V96.4Very high92.6Very high1 Ų146.9 Ų46.91%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-87.9118.6-179.3-175.50000109.7C615 L650 P651 V660 A661 F662 V663V613-C615 HydrophobicContact CG1-CB 4.38Å; V613-L650 HydrophobicContact CG1-CD2 4.15Å; V613-P651 HydrophobicContact CG2-CG 3.47Å; V613-P651 VanDerWaalsContact CG2-CG 3.47Å; V613-V660 HydrophobicContact CG2-CG1 3.81Å; V613-A661 PolarHBondContact N-O 3.19Å; V613-F662 HydrophobicContact CB-CD1 3.86Å; V613-F662 HydrophobicContact CB-CE1 4Å; V613-F662 HydrophobicContact CB-CG 4.25Å; V613-F662 HydrophobicContact CB-CZ 4.5Å; V613-F662 HydrophobicContact CG1-CD1 3.84Å; V613-F662 HydrophobicContact CG1-CE1 3.77Å; V613-F662 HydrophobicContact CG2-CD1 4.38Å; V613-F662 HydrophobicContact CG2-CE1 4.11Å; V613-F662 HydrophobicContact CG2-CE2 4.46Å; V613-F662 HydrophobicContact CG2-CZ 4.14Å; V613-V663 PolarHBondContact O-N 2.78Å; V613-V663 VanDerWaalsContact O-N 3.11Å
614I94.7Very high92.4Very high3 Ų347.1 Ų47.12%0.01523%0.233CC..  trans-112.896.4174.9-60.3-164.6000108.2M509 V510 C515 W520 I612 V663 E664M509-I614 HydrophobicContact CE-CD1 3.51Å; M509-I614 HydrophobicContact CE-CG1 4.06Å; V510-I614 PolarHBondContact O-N 2.67Å; C515-I614 HydrophobicContact CB-CG2 4.47Å; C515-I614 PolarHBondContact SG-O 2.91Å; C515-I614 VanDerWaalsContact SG-O 3.33Å; W520-I614 HydrophobicContact CB-CD1 3.37Å; W520-I614 HydrophobicContact CD2-CD1 4.27Å; W520-I614 HydrophobicContact CG-CD1 3.58Å; I612-I614 HydrophobicContact CG2-CG1 4.34Å; I614-V663 HydrophobicContact CG1-CB 4.3Å; I614-V663 HydrophobicContact CG1-CG2 4.15Å; I614-E664 WeakPolarHBondContact CG2-OE1 3.29Å
615C92.7Very high91.8Very high10 Ų1049.2 Ų49.27%0.06825%0.246CC..  trans-122.794.2175.2-164.60000108V613 L665 A670V613-C615 HydrophobicContact CG1-CB 4.38Å; C615-L665 VanDerWaalsContact O-CB 3.26Å; C615-L665 WeakPolarHBondContact O-CB 3.24Å; C615-L665 VanDerWaalsContact O-CG 3.28Å; C615-L665 WeakPolarHBondContact O-CG 2.94Å; C615-L665 PolarHBondContact O-N 2.99Å; C615-L665 VanDerWaalsContact O-N 3.12Å; C615-A670 HydrophobicContact CB-CB 4.18Å
616P91.9Very high91.3Very high5 Ų548.9 Ų48.93%0.03225%0.247CC..  trans-68.4177.7170.128.8-35.6000111.9C515 D620 F621 E664 L665 L673C515-P616 HydrophobicContact CB-CG 4.1Å; P616-D620 HydrophobicContact CB-CB 3.7Å; P616-F621 HydrophobicContact CG-CB 4.1Å; P616-F621 HydrophobicContact CG-CD2 4.18Å; P616-E664 WeakPolarHBondContact CB-OE2 3.48Å; P616-L665 VanDerWaalsContact O-CD1 3.25Å; P616-L665 WeakPolarHBondContact O-CD1 3.48Å; P616-L673 WeakPolarHBondContact O-CD2 2.96Å
617T91.1Very high91Very high52 Ų5251.9 Ų51.932%0.31925%0.249SC..  trans-61.9161.3164.179.90000110.6E619 D620 F621 L665T617-E619 PolarHBondContact O-N 2.84Å; T617-E619 PolarHBondContact OG1-N 3.47Å; T617-D620 WeakPolarHBondContact OG1-CB 3.44Å; T617-D620 PolarHBondContact OG1-N 3.4Å; T617-D620 PolarHBondContact OG1-OD1 3.18Å; T617-F621 VanDerWaalsContact O-CB 3.23Å; T617-F621 WeakPolarHBondContact O-CB 3.5Å; T617-F621 PolarHBondContact O-N 3.41Å; T617-L665 HydrophobicContact CG2-CD2 4.46Å
618D88.5Confident90.1Very high44 Ų4453.9 Ų53.924%0.23526%0.258CS..Hα-helixtrans-67.5-25.9176.1-171.555.6000112.6K622 L673 Y677D618-K622 WeakPolarHBondContact O-CD 3.32Å; D618-K622 VanDerWaalsContact O-CG 3.26Å; D618-K622 WeakPolarHBondContact O-CG 3.25Å; D618-K622 PolarHBondContact O-N 2.88Å; D618-K622 VanDerWaalsContact O-N 3.14Å; D618-K622 WeakPolarHBondContact OD2-CE 3.26Å; D618-K622 IonicContact OD2-NZ 2.69Å; D618-K622 PolarHBondContact OD2-NZ 3.06Å; D618-L673 HydrophobicContact CB-CD1 4.07Å; D618-Y677 VanDerWaalsContact OD1-CE1 3.25Å; D618-Y677 WeakPolarHBondContact OD1-CE1 3.43Å; D618-Y677 PolarHBondContact OD1-OH 3.43Å
619E88.4Confident89.2Confident159 Ų15952.6 Ų52.674%0.74326%0.255SS*.Hα-helixtrans-74.6-52.4177.1-62.6179.8173.400110.4T617 F621 K622 E623T617-E619 PolarHBondContact O-N 2.84Å; T617-E619 PolarHBondContact OG1-N 3.47Å; E619-F621 PolarHBondContact O-N 3.42Å; E619-K622 PolarHBondContact O-N 2.87Å; E619-E623 PolarHBondContact O-N 2.99Å
620D88.8Confident88Confident59 Ų5956.9 Ų56.932%0.31628%0.28SS..Hα-helixtrans-51.3-43.7168.1-83.279.9000111.8P616 T617 K622 E623 R624P616-D620 HydrophobicContact CB-CB 3.7Å; T617-D620 WeakPolarHBondContact OG1-CB 3.44Å; T617-D620 PolarHBondContact OG1-N 3.4Å; T617-D620 PolarHBondContact OG1-OD1 3.18Å; D620-K622 PolarHBondContact O-N 3.22Å; D620-E623 PolarHBondContact O-N 3.42Å; D620-R624 VanDerWaalsContact O-CB 3.3Å; D620-R624 WeakPolarHBondContact O-CB 3.49Å; D620-R624 WeakPolarHBondContact O-CG 3.36Å; D620-R624 PolarHBondContact O-N 2.77Å; D620-R624 IonicContact OD2-CZ 2.65Å; D620-R624 IonicContact OD2-NE 2.7Å; D620-R624 IonicContact OD2-NH2 3.49Å; D620-R624 PolarHBondContact OD2-NH2 2.88Å
621F88.6Confident86.7Confident16 Ų1661 Ų617%0.0730%0.3CS..Hα-helixtrans-61.9-44.6-178.7-176.7-104.5000111.5L512 P513 C515 P616 T617 E619 T625L512-F621 HydrophobicContact CB-CE2 3.66Å; L512-F621 HydrophobicContact CB-CZ 3.8Å; L512-F621 HydrophobicContact CD1-CE1 4.36Å; L512-F621 HydrophobicContact CD1-CE2 4.19Å; L512-F621 HydrophobicContact CD1-CZ 3.92Å; P513-F621 WeakPolarHBondContact O-CE2 3.46Å; P513-F621 WeakPolarHBondContact O-CZ 3.27Å; C515-F621 HydrophobicContact CB-CD2 3.99Å; C515-F621 HydrophobicContact CB-CE2 3.96Å; P616-F621 HydrophobicContact CG-CB 4.1Å; P616-F621 HydrophobicContact CG-CD2 4.18Å; T617-F621 VanDerWaalsContact O-CB 3.23Å; T617-F621 WeakPolarHBondContact O-CB 3.5Å; T617-F621 PolarHBondContact O-N 3.41Å; E619-F621 PolarHBondContact O-N 3.42Å; F621-T625 VanDerWaalsContact O-CB 3.31Å; F621-T625 WeakPolarHBondContact O-CB 3.16Å; F621-T625 PolarHBondContact O-N 3.17Å; F621-T625 PolarHBondContact O-OG1 3.39Å
622K86.8Confident85Confident123 Ų12365 Ų6554%0.53532%0.318SS..Hα-helixtrans-65.5-43.8175.9-73.7162.3179163.80111.6D618 E619 D620 T625 L626D618-K622 WeakPolarHBondContact O-CD 3.32Å; D618-K622 VanDerWaalsContact O-CG 3.26Å; D618-K622 WeakPolarHBondContact O-CG 3.25Å; D618-K622 PolarHBondContact O-N 2.88Å; D618-K622 VanDerWaalsContact O-N 3.14Å; D618-K622 WeakPolarHBondContact OD2-CE 3.26Å; D618-K622 IonicContact OD2-NZ 2.69Å; D618-K622 PolarHBondContact OD2-NZ 3.06Å; E619-K622 PolarHBondContact O-N 2.87Å; D620-K622 PolarHBondContact O-N 3.22Å; K622-T625 PolarHBondContact O-N 3.23Å; K622-L626 WeakPolarHBondContact O-CB 3.2Å; K622-L626 PolarHBondContact O-N 3.44Å
623E87.1Confident83.2Confident134 Ų13467.1 Ų67.163%0.62634%0.343SS*.Hα-helixtrans-62.5-50.1177.4-165.7-165.1147.300111.5E619 D620 T625 L626 K627E619-E623 PolarHBondContact O-N 2.99Å; D620-E623 PolarHBondContact O-N 3.42Å; E623-T625 VanDerWaalsContact C-N 3.28Å; E623-T625 PolarHBondContact O-N 3.06Å; E623-L626 PolarHBondContact O-N 3.06Å; E623-K627 VanDerWaalsContact O-CB 3.24Å; E623-K627 WeakPolarHBondContact O-CB 3.49Å; E623-K627 PolarHBondContact O-N 2.91Å
624R88.1Confident81.8Confident68 Ų6869.1 Ų69.126%0.25735%0.352SS..Hα-helixtrans-60.1-37.3178.1-67.9169.5-161.7-165.49.4111.9C515 D620 Q628 E664C515-R624 PolarHBondContact O-NH1 3.35Å; D620-R624 VanDerWaalsContact O-CB 3.3Å; D620-R624 WeakPolarHBondContact O-CB 3.49Å; D620-R624 WeakPolarHBondContact O-CG 3.36Å; D620-R624 PolarHBondContact O-N 2.77Å; D620-R624 IonicContact OD2-CZ 2.65Å; D620-R624 IonicContact OD2-NE 2.7Å; D620-R624 IonicContact OD2-NH2 3.49Å; D620-R624 PolarHBondContact OD2-NH2 2.88Å; R624-Q628 WeakPolarHBondContact O-CB 3.46Å; R624-Q628 PolarHBondContact O-N 3.01Å; R624-E664 IonicContact CZ-OE1 2.67Å; R624-E664 IonicContact CZ-OE2 3.83Å; R624-E664 VanDerWaalsContact CZ-OE2 3.3Å; R624-E664 VanDerWaalsContact NH1-CD 3.33Å; R624-E664 IonicContact NH1-OE1 3.5Å; R624-E664 PolarHBondContact NH1-OE1 2.93Å; R624-E664 IonicContact NH1-OE2 3.97Å; R624-E664 PolarHBondContact NH1-OE2 3.26Å; R624-E664 IonicContact NH2-OE1 2.8Å; R624-E664 IonicContact NH2-OE2 2.67Å; R624-E664 PolarHBondContact NH2-OE2 3.28Å
625T83.2Confident80.4Confident44 Ų4472 Ų7227%0.2737%0.367SS..Hα-helixtrans-67.8-52.2175.7-55.90000111.3A514 F621 K622 E623 K627 Q628 T629A514-T625 HydrophobicContact CB-CG2 4.31Å; F621-T625 VanDerWaalsContact O-CB 3.31Å; F621-T625 WeakPolarHBondContact O-CB 3.16Å; F621-T625 PolarHBondContact O-N 3.17Å; F621-T625 PolarHBondContact O-OG1 3.39Å; K622-T625 PolarHBondContact O-N 3.23Å; E623-T625 VanDerWaalsContact C-N 3.28Å; E623-T625 PolarHBondContact O-N 3.06Å; T625-K627 VanDerWaalsContact C-N 3.27Å; T625-K627 PolarHBondContact O-N 2.91Å; T625-Q628 PolarHBondContact O-N 2.6Å; T625-Q628 VanDerWaalsContact O-N 3.12Å; T625-T629 PolarHBondContact O-N 3.19Å; T625-T629 PolarHBondContact O-OG1 3.37Å
626L81.9Confident79.3Confident107 Ų10772.6 Ų72.656%0.5637%0.371SS*.Hα-helixtrans-56.8-42.5177.3-179.963000111.4K622 E623 T629 N630K622-L626 WeakPolarHBondContact O-CB 3.2Å; K622-L626 PolarHBondContact O-N 3.44Å; E623-L626 PolarHBondContact O-N 3.06Å; L626-T629 PolarHBondContact O-N 3.43Å; L626-N630 WeakPolarHBondContact O-CB 3.3Å; L626-N630 PolarHBondContact O-N 3.13Å; L626-N630 PolarHBondContact O-ND2 3.39Å
627K83.3Confident78.6Confident105 Ų10572.8 Ų72.846%0.45737%0.372SS..Hα-helixtrans-62.8-45.4175.5-171.3171.8-172.6174.30112.1E623 T625 N630 E631E623-K627 VanDerWaalsContact O-CB 3.24Å; E623-K627 WeakPolarHBondContact O-CB 3.49Å; E623-K627 PolarHBondContact O-N 2.91Å; T625-K627 VanDerWaalsContact C-N 3.27Å; T625-K627 PolarHBondContact O-N 2.91Å; K627-N630 PolarHBondContact O-N 3.33Å; K627-E631 WeakPolarHBondContact CE-OE1 3.47Å; K627-E631 VanDerWaalsContact CE-OE2 3.26Å; K627-E631 WeakPolarHBondContact CE-OE2 3.24Å; K627-E631 VanDerWaalsContact CG-CD 3.46Å; K627-E631 HydrophobicContact CG-CG 4.09Å; K627-E631 WeakPolarHBondContact CG-OE2 3.32Å; K627-E631 IonicContact NZ-OE1 2.65Å; K627-E631 VanDerWaalsContact O-CB 3.3Å; K627-E631 WeakPolarHBondContact O-CB 3.49Å; K627-E631 WeakPolarHBondContact O-CG 3.43Å; K627-E631 PolarHBondContact O-N 2.66Å
628Q77.8Confident78.1Confident45 Ų4575.6 Ų75.621%0.2139%0.385CS..Hα-helixtrans-63.8-41176.3173.9150.175.500112.7R624 T625 Q632 K634R624-Q628 WeakPolarHBondContact O-CB 3.46Å; R624-Q628 PolarHBondContact O-N 3.01Å; T625-Q628 PolarHBondContact O-N 2.6Å; T625-Q628 VanDerWaalsContact O-N 3.12Å; Q628-Q632 WeakPolarHBondContact O-CA 3.35Å; Q628-Q632 VanDerWaalsContact O-CB 3.29Å; Q628-Q632 WeakPolarHBondContact O-CB 3.15Å; Q628-Q632 PolarHBondContact O-N 3.21Å; Q628-K634 HydrophobicContact CG-CB 3.99Å
629T75.8Confident77.8Confident42 Ų4276.3 Ų76.326%0.25839%0.387SS..Hα-helixtrans-64.3-46.2175.8-63.20000111.1T625 L626 G633 D635T625-T629 PolarHBondContact O-N 3.19Å; T625-T629 PolarHBondContact O-OG1 3.37Å; L626-T629 PolarHBondContact O-N 3.43Å; T629-G633 WeakPolarHBondContact O-CA 3.35Å; T629-G633 PolarHBondContact O-N 2.89Å; T629-G633 VanDerWaalsContact O-N 3.14Å; T629-D635 HydrophobicContact CG2-CB 4.04Å; T629-D635 PolarHBondContact OG1-OD1 3.36Å
630N72.9Confident77.5Confident121 Ų12168.8 Ų68.865%0.64735%0.352SS*.Hα-helixtrans-69.8-45.5-178.7-69.8-14.5000113.8L626 K627L626-N630 WeakPolarHBondContact O-CB 3.3Å; L626-N630 PolarHBondContact O-N 3.13Å; L626-N630 PolarHBondContact O-ND2 3.39Å; K627-N630 PolarHBondContact O-N 3.33Å
631E68.2Low77.4Confident132 Ų13267.1 Ų67.162%0.61734%0.344SS*.Hα-helixtrans-83.8-32.5-174.7-66.3-178.8160.600113.4K627K627-E631 WeakPolarHBondContact CE-OE1 3.47Å; K627-E631 VanDerWaalsContact CE-OE2 3.26Å; K627-E631 WeakPolarHBondContact CE-OE2 3.24Å; K627-E631 VanDerWaalsContact CG-CD 3.46Å; K627-E631 HydrophobicContact CG-CG 4.09Å; K627-E631 WeakPolarHBondContact CG-OE2 3.32Å; K627-E631 IonicContact NZ-OE1 2.65Å; K627-E631 VanDerWaalsContact O-CB 3.3Å; K627-E631 WeakPolarHBondContact O-CB 3.49Å; K627-E631 WeakPolarHBondContact O-CG 3.43Å; K627-E631 PolarHBondContact O-N 2.66Å
632Q61Low77.3Confident83 Ų8368.1 Ų68.139%0.38835%0.35SS..Hα-helixtrans-113.5-7.4-169.7-48.6-17612.200113.6Q628 K634Q628-Q632 WeakPolarHBondContact O-CA 3.35Å; Q628-Q632 VanDerWaalsContact O-CB 3.29Å; Q628-Q632 WeakPolarHBondContact O-CB 3.15Å; Q628-Q632 PolarHBondContact O-N 3.21Å; Q632-K634 HydrophobicContact CB-CB 4.28Å; Q632-K634 HydrophobicContact CB-CD 4.3Å; Q632-K634 HydrophobicContact CB-CG 4.01Å; Q632-K634 PolarHBondContact O-N 2.89Å
633G60.4Low77.4Confident56 Ų5665.1 Ų65.158%0.57734%0.338SS*.  trans60.321.2-17300000113.4T629 D635T629-G633 WeakPolarHBondContact O-CA 3.35Å; T629-G633 PolarHBondContact O-N 2.89Å; T629-G633 VanDerWaalsContact O-N 3.14Å; G633-D635 PolarHBondContact O-N 3.06Å
634K65.9Low77.5Confident43 Ų4358.9 Ų58.919%0.18731%0.308CS..  trans-99.374.4-177.3-71.7-171.7-178.2-178.50110.1N539 Q628 Q632N539-K634 PolarHBondContact OD1-NZ 3.16Å; Q628-K634 HydrophobicContact CG-CB 3.99Å; Q632-K634 HydrophobicContact CB-CB 4.28Å; Q632-K634 HydrophobicContact CB-CD 4.3Å; Q632-K634 HydrophobicContact CB-CG 4.01Å; Q632-K634 PolarHBondContact O-N 2.89Å
635D66.7Low77.6Confident63 Ų6356.4 Ų56.434%0.33730%0.299SS..  trans-78.5140.4171.9-165.537.4000110.8T629 G633 Y860 W864T629-D635 HydrophobicContact CG2-CB 4.04Å; T629-D635 PolarHBondContact OG1-OD1 3.36Å; G633-D635 PolarHBondContact O-N 3.06Å; D635-Y860 HydrophobicContact CB-CE1 4.04Å; D635-Y860 PolarHBondContact O-OH 3.45Å; D635-W864 VanDerWaalsContact O-CZ2 3.24Å; D635-W864 WeakPolarHBondContact O-CZ2 3.31Å; D635-W864 PolarHBondContact O-NE1 3.28Å
636V69.1Low77.9Confident24 Ų2454.7 Ų54.715%0.14529%0.29CS..  trans-122.6100.8-178.7-174.60000108.1P513 D638 V641 W864 Y868P513-V636 HydrophobicContact CB-CG1 4.2Å; P513-V636 HydrophobicContact CB-CG2 4.33Å; P513-V636 HydrophobicContact CG-CG1 4.26Å; V636-D638 PolarHBondContact O-N 2.99Å; V636-V641 HydrophobicContact CB-CG2 4.3Å; V636-V641 HydrophobicContact CG1-CG2 3.91Å; V636-V641 WeakPolarHBondContact O-CG2 3.39Å; V636-W864 HydrophobicContact CG1-CE3 4.4Å; V636-W864 HydrophobicContact CG1-CH2 4.4Å; V636-W864 HydrophobicContact CG1-CZ3 4.22Å; V636-W864 HydrophobicContact CG2-CH2 3.9Å; V636-W864 HydrophobicContact CG2-CZ2 4.09Å; V636-W864 HydrophobicContact CG2-CZ3 4.49Å; V636-Y868 HydrophobicContact CG1-CE2 4.42Å
637P78.3Confident78.3Confident8 Ų853.5 Ų53.55%0.05228%0.284CS..  trans-53.1134.2-167.3-34.139.5000115.1H639 A640 V641 Y860 W864P637-H639 WeakPolarHBondContact CB-CE1 3.47Å; P637-H639 WeakPolarHBondContact CB-NE2 3.42Å; P637-H639 PolarHBondContact O-N 3.3Å; P637-A640 PolarHBondContact O-N 3.47Å; P637-V641 PolarHBondContact O-N 3.24Å; P637-Y860 HydrophobicContact CG-CD1 3.99Å; P637-Y860 HydrophobicContact CG-CE1 4.17Å; P637-W864 HydrophobicContact CB-CB 4.46Å; P637-W864 HydrophobicContact CG-CB 3.82Å; P637-W864 VanDerWaalsContact CG-CD1 3.45Å; P637-W864 HydrophobicContact CG-CG 3.76Å
638D79.6Confident78.7Confident112 Ų11248.7 Ų48.760%0.59926%0.263SS*.Hα-helixtrans-47.8-43-170.1-58.6-46.3000113.7V636 A640 V641 L642V636-D638 PolarHBondContact O-N 2.99Å; D638-A640 PolarHBondContact O-N 3.03Å; D638-A640 VanDerWaalsContact O-N 3.13Å; D638-V641 PolarHBondContact O-N 3.23Å; D638-V641 VanDerWaalsContact O-N 3.1Å; D638-L642 HydrophobicContact CB-CD1 4.25Å; D638-L642 VanDerWaalsContact O-CB 3.32Å; D638-L642 WeakPolarHBondContact O-CB 3.24Å; D638-L642 WeakPolarHBondContact O-CD1 3.31Å; D638-L642 WeakPolarHBondContact O-CG 3.46Å; D638-L642 PolarHBondContact O-N 3.44Å
639H81.8Confident79.4Confident59 Ų5949.6 Ų49.627%0.27327%0.272SS..Hα-helixtrans-55.7-34.3-177.973.5-94.2000113P637 E643 A861 Q865P637-H639 WeakPolarHBondContact CB-CE1 3.47Å; P637-H639 WeakPolarHBondContact CB-NE2 3.42Å; P637-H639 PolarHBondContact O-N 3.3Å; H639-E643 WeakPolarHBondContact O-CB 3.36Å; H639-E643 PolarHBondContact O-N 3.47Å; H639-A861 VanDerWaalsContact NE2-C 3.28Å; H639-A861 PolarHBondContact NE2-O 2.81Å; H639-Q865 PolarHBondContact NE2-N 2.7Å
640A82.2Confident80.3Confident1 Ų148.9 Ų48.91%0.00827%0.266CS..Hα-helixtrans-82.7-35.5179.300000112.5P637 D638 L642 E643 M644 Y868P637-A640 PolarHBondContact O-N 3.47Å; D638-A640 PolarHBondContact O-N 3.03Å; D638-A640 VanDerWaalsContact O-N 3.13Å; A640-L642 VanDerWaalsContact C-N 3.28Å; A640-E643 PolarHBondContact O-N 2.91Å; A640-M644 WeakPolarHBondContact O-CG 3.47Å; A640-M644 PolarHBondContact O-N 2.87Å; A640-Y868 HydrophobicContact CB-CD2 3.22Å; A640-Y868 HydrophobicContact CB-CE2 3.36Å; A640-Y868 HydrophobicContact CB-CG 4.11Å
641V86.1Confident81.2Confident24 Ų2443.3 Ų43.315%0.14524%0.236CC..Hα-helixtrans-63.9-39.1171-176.80000109.8V636 P637 D638 M644 K645V636-V641 HydrophobicContact CB-CG2 4.3Å; V636-V641 HydrophobicContact CG1-CG2 3.91Å; V636-V641 WeakPolarHBondContact O-CG2 3.39Å; P637-V641 PolarHBondContact O-N 3.24Å; D638-V641 PolarHBondContact O-N 3.23Å; D638-V641 VanDerWaalsContact O-N 3.1Å; V641-M644 PolarHBondContact O-N 3.28Å; V641-K645 WeakPolarHBondContact O-CB 3.44Å; V641-K645 WeakPolarHBondContact O-CG 3.35Å; V641-K645 PolarHBondContact O-N 3.43Å
642L87.7Confident82.3Confident37 Ų3742.5 Ų42.519%0.19423%0.233CC..Hα-helixtrans-68.4-41.8175.2-69.8164.2000112.4D638 A640 M644 K645 A646 E680 G681 A684D638-L642 HydrophobicContact CB-CD1 4.25Å; D638-L642 VanDerWaalsContact O-CB 3.32Å; D638-L642 WeakPolarHBondContact O-CB 3.24Å; D638-L642 WeakPolarHBondContact O-CD1 3.31Å; D638-L642 WeakPolarHBondContact O-CG 3.46Å; D638-L642 PolarHBondContact O-N 3.44Å; A640-L642 VanDerWaalsContact C-N 3.28Å; L642-M644 VanDerWaalsContact C-N 3.3Å; L642-M644 PolarHBondContact O-N 2.98Å; L642-K645 PolarHBondContact O-N 3.44Å; L642-A646 VanDerWaalsContact O-CB 3.31Å; L642-A646 WeakPolarHBondContact O-CB 3.41Å; L642-A646 PolarHBondContact O-N 3.3Å; L642-E680 HydrophobicContact CD2-CG 4.06Å; L642-G681 WeakPolarHBondContact O-CA 3.29Å; L642-A684 HydrophobicContact CD1-CB 3.78Å; L642-A684 HydrophobicContact CD2-CB 3.97Å; L642-A684 HydrophobicContact CG-CB 4.35Å
643E88.4Confident83.8Confident60 Ų6042.3 Ų42.328%0.2824%0.239SC..Hα-helixtrans-58-43.6171.6-170.5-166.8145.200111Y593 H639 A640 A646 N647 N872Y593-E643 PolarHBondContact OH-OE1 2.88Å; H639-E643 WeakPolarHBondContact O-CB 3.36Å; H639-E643 PolarHBondContact O-N 3.47Å; A640-E643 PolarHBondContact O-N 2.91Å; E643-A646 PolarHBondContact O-N 2.82Å; E643-N647 PolarHBondContact O-N 3.34Å; E643-N647 PolarHBondContact O-ND2 3.39Å; E643-N872 PolarHBondContact OE1-ND2 3.21Å
644M88.6Confident85.2Confident3 Ų342.1 Ų42.12%0.01523%0.228CC..Hα-helixtrans-64.9-48.4174.9-73.2-175-175.700112.1L512 P513 T590 V592 Y593 A640 V641 L642 A646 N647 F648 Y868L512-M644 HydrophobicContact CD2-CB 3.91Å; P513-M644 HydrophobicContact CG-SD 3.76Å; T590-M644 HydrophobicContact CG2-CE 4.3Å; T590-M644 HydrophobicContact CG2-SD 3.68Å; V592-M644 HydrophobicContact CG2-CB 4.17Å; V592-M644 HydrophobicContact CG2-CG 4.06Å; V592-M644 HydrophobicContact CG2-SD 4.36Å; Y593-M644 HydrophobicContact CE2-CG 4.42Å; A640-M644 WeakPolarHBondContact O-CG 3.47Å; A640-M644 PolarHBondContact O-N 2.87Å; V641-M644 PolarHBondContact O-N 3.28Å; L642-M644 VanDerWaalsContact C-N 3.3Å; L642-M644 PolarHBondContact O-N 2.98Å; M644-A646 VanDerWaalsContact C-N 3.28Å; M644-A646 PolarHBondContact O-N 2.93Å; M644-N647 CarbonylContact O-C 3.54Å; M644-N647 PolarHBondContact O-N 3Å; M644-N647 VanDerWaalsContact O-N 3.14Å; M644-F648 VanDerWaalsContact O-CB 3.24Å; M644-F648 WeakPolarHBondContact O-CB 3.36Å; M644-F648 PolarHBondContact O-N 3.43Å; M644-Y868 HydrophobicContact CE-CD1 3.64Å; M644-Y868 HydrophobicContact CE-CE1 3.08Å
645K91.1Very high86.1Confident15 Ų1547 Ų477%0.06526%0.256CS..Hα-helixtrans-54.8-43.2176.5-81.1-172173.6-170.50111.5L512 V641 L642 N647 Y677 N678 E680L512-K645 HydrophobicContact CD1-CG 3.93Å; L512-K645 HydrophobicContact CD2-CG 4.18Å; V641-K645 WeakPolarHBondContact O-CB 3.44Å; V641-K645 WeakPolarHBondContact O-CG 3.35Å; V641-K645 PolarHBondContact O-N 3.43Å; L642-K645 PolarHBondContact O-N 3.44Å; K645-N647 PolarHBondContact O-N 3.43Å; K645-Y677 CarbonylContact C-O 3.52Å; K645-Y677 WeakPolarHBondContact CB-O 3.26Å; K645-Y677 HydrophobicContact CD-CD1 3.89Å; K645-Y677 HydrophobicContact CD-CE1 4.49Å; K645-Y677 HydrophobicContact CD-CG 3.97Å; K645-Y677 HydrophobicContact CG-CD1 4.48Å; K645-Y677 HydrophobicContact CG-CD2 4.43Å; K645-Y677 HydrophobicContact CG-CG 4.05Å; K645-Y677 CarbonylContact O-C 3.5Å; K645-N678 VanDerWaalsContact O-CA 3.31Å; K645-N678 WeakPolarHBondContact O-CA 3.33Å; K645-N678 PolarHBondContact O-N 3.47Å; K645-E680 WeakPolarHBondContact CD-OE2 3.39Å; K645-E680 IonicContact NZ-OE1 2.62Å; K645-E680 PolarHBondContact NZ-OE1 3.45Å; K645-E680 IonicContact NZ-OE2 2.75Å; K645-E680 PolarHBondContact NZ-OE2 2.75Å
646A89.6Confident87.1Confident9 Ų944.9 Ų44.97%0.07424%0.244CC..Hα-helixtrans-63.5-19.6179.800000115.6L642 E643 M644 N678 R682L642-A646 VanDerWaalsContact O-CB 3.31Å; L642-A646 WeakPolarHBondContact O-CB 3.41Å; L642-A646 PolarHBondContact O-N 3.3Å; E643-A646 PolarHBondContact O-N 2.82Å; M644-A646 VanDerWaalsContact C-N 3.28Å; M644-A646 PolarHBondContact O-N 2.93Å; A646-N678 PolarHBondContact O-OD1 2.97Å; A646-R682 HydrophobicContact CB-CG 4.01Å; A646-R682 PolarHBondContact O-NE 3.13Å
647N89.6Confident88.2Confident81 Ų8143.9 Ų43.943%0.43324%0.238SC..Hα-helixtrans-129.8-1.1-170.5-69.6-76.9000113.8Y593 E643 M644 K645 T649Y593-N647 HydrophobicContact CD1-CB 3.92Å; Y593-N647 HydrophobicContact CE1-CB 3.45Å; Y593-N647 VanDerWaalsContact CE1-CB 3.45Å; E643-N647 PolarHBondContact O-N 3.34Å; E643-N647 PolarHBondContact O-ND2 3.39Å; M644-N647 CarbonylContact O-C 3.54Å; M644-N647 PolarHBondContact O-N 3Å; M644-N647 VanDerWaalsContact O-N 3.14Å; K645-N647 PolarHBondContact O-N 3.43Å; N647-T649 PolarHBondContact O-N 2.89Å
648F92.8Very high88.9Confident5 Ų547.8 Ų47.82%0.02226%0.255CS..  trans-68.1125.6-179.1177.1-163.7000108.5V510 L512 V592 M644 L650 L674 N678V510-F648 HydrophobicContact CG1-CE2 3.9Å; V510-F648 HydrophobicContact CG1-CZ 4.48Å; L512-F648 HydrophobicContact CD2-CD1 4.11Å; L512-F648 HydrophobicContact CG-CD1 4.09Å; L512-F648 HydrophobicContact CG-CE1 4.29Å; V592-F648 HydrophobicContact CB-CB 3.83Å; V592-F648 HydrophobicContact CB-CD2 3.47Å; V592-F648 VanDerWaalsContact CB-CD2 3.47Å; V592-F648 HydrophobicContact CB-CE2 4.22Å; V592-F648 HydrophobicContact CB-CG 3.71Å; V592-F648 HydrophobicContact CG1-CB 4.11Å; V592-F648 HydrophobicContact CG1-CD1 3.96Å; V592-F648 HydrophobicContact CG1-CD2 3.45Å; V592-F648 VanDerWaalsContact CG1-CD2 3.45Å; V592-F648 HydrophobicContact CG1-CE1 4.28Å; V592-F648 HydrophobicContact CG1-CE2 3.82Å; V592-F648 HydrophobicContact CG1-CG 3.57Å; V592-F648 HydrophobicContact CG1-CZ 4.23Å; M644-F648 VanDerWaalsContact O-CB 3.24Å; M644-F648 WeakPolarHBondContact O-CB 3.36Å; M644-F648 PolarHBondContact O-N 3.43Å; F648-L650 HydrophobicContact CE2-CD2 4.34Å; F648-L650 HydrophobicContact CZ-CD2 4.27Å; F648-L674 HydrophobicContact CB-CD1 3.64Å; F648-L674 HydrophobicContact CD1-CD1 3.33Å; F648-L674 HydrophobicContact CD2-CD1 4.26Å; F648-L674 HydrophobicContact CE1-CD1 3.97Å; F648-L674 HydrophobicContact CG-CD1 3.47Å; F648-L674 VanDerWaalsContact CG-CD1 3.47Å; F648-L674 WeakPolarHBondContact O-CD1 3.43Å; F648-N678 PolarHBondContact O-ND2 2.76Å
649T92.4Very high89.6Confident64 Ų6446.2 Ų46.239%0.39325%0.247SC..  trans-121.1135.6175.746.10000108.3V592 R597 N647V592-T649 PolarHBondContact O-N 3.45Å; V592-T649 VanDerWaalsContact O-N 3.14Å; V592-T649 PolarHBondContact O-OG1 3.34Å; R597-T649 VanDerWaalsContact CZ-O 3.28Å; R597-T649 PolarHBondContact NH1-O 3.47Å; R597-T649 PolarHBondContact NH2-O 3.43Å; R597-T649 PolarHBondContact NH2-OG1 3.4Å; N647-T649 PolarHBondContact O-N 2.89Å
650L93.1Very high90.3Very high27 Ų2744.4 Ų44.414%0.14124%0.24CC..  trans-62.9149.1170.4-64.8-179.5000110.4R597 V613 F648 F662 A670 E671 L674R597-L650 PolarHBondContact NH2-O 2.82Å; V613-L650 HydrophobicContact CG1-CD2 4.15Å; F648-L650 HydrophobicContact CE2-CD2 4.34Å; F648-L650 HydrophobicContact CZ-CD2 4.27Å; L650-F662 HydrophobicContact CD1-CE1 4.03Å; L650-F662 HydrophobicContact CD1-CZ 4.1Å; L650-F662 HydrophobicContact CD2-CE1 4.13Å; L650-A670 HydrophobicContact CD1-CB 4.5Å; L650-E671 HydrophobicContact CD1-CB 4.2Å; L650-L674 HydrophobicContact CD2-CD2 3.97Å; L650-L674 HydrophobicContact CG-CD2 3.65Å
651P93.4Very high90.9Very high3 Ų346.1 Ų46.12%0.01925%0.254CS..  trans-73.7150.716528.9-29.4000110.8V510 A611 V613 L657 V660V510-P651 HydrophobicContact CG2-CG 4.3Å; A611-P651 HydrophobicContact CB-CB 3.97Å; A611-P651 HydrophobicContact CB-CG 3.83Å; V613-P651 HydrophobicContact CG2-CG 3.47Å; V613-P651 VanDerWaalsContact CG2-CG 3.47Å; P651-L657 HydrophobicContact CB-CD2 3.75Å; P651-V660 HydrophobicContact CB-CG1 4.36Å; P651-V660 HydrophobicContact CB-CG2 4.15Å; P651-V660 HydrophobicContact CG-CG1 3.72Å; P651-V660 HydrophobicContact CG-CG2 4.4Å
652E91.3Very high91.4Very high116 Ų11646.6 Ų46.654%0.54225%0.254SS..  trans-135.8150.7171.7-60-170.3135.600108.6C654 R667E652-C654 PolarHBondContact O-N 2.68Å; E652-C654 PolarHBondContact O-SG 3.49Å; E652-C654 VanDerWaalsContact O-SG 3.38Å; E652-R667 IonicContact OE1-CZ 2.72Å; E652-R667 IonicContact OE1-NH2 2.72Å; E652-R667 PolarHBondContact OE1-NH2 2.93Å
653P92.4Very high91.6Very high78 Ų7847.5 Ų47.551%0.50626%0.261SS..  trans-57.8134.6177.2-26.536000113L657 V660P653-L657 CarbonylContact C-O 3.51Å; P653-L657 VanDerWaalsContact CA-O 3.28Å; P653-L657 WeakPolarHBondContact CA-O 3.41Å; P653-V660 HydrophobicContact CG-CG2 4.16Å
654C88.8Confident91.7Very high52 Ų5247.9 Ų47.935%0.35126%0.263SS..BIsolated β-bridgetrans-166.4179.8-175.855.30000111.4E652 F656 L657E652-C654 PolarHBondContact O-N 2.68Å; E652-C654 PolarHBondContact O-SG 3.49Å; E652-C654 VanDerWaalsContact O-SG 3.38Å; C654-F656 HydrophobicContact CB-CE1 4.49Å; C654-F656 PolarHBondContact O-N 2.7Å; C654-F656 WeakPolarHBondContact SG-CE1 3.37Å; C654-F656 VanDerWaalsContact SG-CZ 3.51Å; C654-L657 PolarHBondContact N-O 3.46Å; C654-L657 CarbonylContact O-C 3.04Å; C654-L657 PolarHBondContact O-N 3.1Å
655D85.3Confident91.8Very high145 Ų14549.6 Ų49.678%0.77527%0.272SS*.THydrogen-bonded Turntrans-50.3-22.2-173-31.3-29.4000116.4R609R609-D655 PolarHBondContact NH1-O 2.92Å; R609-D655 PolarHBondContact NH2-O 3Å
656F87.6Confident91.9Very high20 Ų2054.6 Ų54.69%0.08830%0.295CS..THydrogen-bonded Turntrans-116.29.5-179.162.5-90000114R597 R598 M601 R602 C654R597-F656 HydrophobicContact CB-CE2 4.48Å; R598-F656 HydrophobicContact CB-CD2 4.41Å; R598-F656 HydrophobicContact CB-CE1 4.09Å; R598-F656 HydrophobicContact CB-CE2 3.9Å; R598-F656 HydrophobicContact CB-CZ 3.73Å; R598-F656 HydrophobicContact CG-CD1 4.07Å; R598-F656 HydrophobicContact CG-CE1 3.86Å; R598-F656 HydrophobicContact CG-CE2 4.42Å; R598-F656 HydrophobicContact CG-CG 4.46Å; R598-F656 HydrophobicContact CG-CZ 4.04Å; M601-F656 HydrophobicContact CB-CB 4.46Å; M601-F656 HydrophobicContact CB-CD2 4.07Å; M601-F656 WeakPolarHBondContact CB-O 3.09Å; R602-F656 HydrophobicContact CG-CB 4.23Å; C654-F656 HydrophobicContact CB-CE1 4.49Å; C654-F656 PolarHBondContact O-N 2.7Å; C654-F656 WeakPolarHBondContact SG-CE1 3.37Å; C654-F656 VanDerWaalsContact SG-CZ 3.51Å
657L91.9Very high92Very high3 Ų359.7 Ų59.72%0.01631%0.313CS..BIsolated β-bridgetrans-156.7102.4-175.7-165.271.8000109.7M601 R609 A611 P651 P653 C654 V660M601-L657 HydrophobicContact CE-CD1 3.89Å; R609-L657 CarbonylContact O-C 3.55Å; A611-L657 HydrophobicContact CB-CD1 3.94Å; A611-L657 HydrophobicContact CB-CD2 3.85Å; A611-L657 HydrophobicContact CB-CG 4.36Å; P651-L657 HydrophobicContact CB-CD2 3.75Å; P653-L657 CarbonylContact C-O 3.51Å; P653-L657 VanDerWaalsContact CA-O 3.28Å; P653-L657 WeakPolarHBondContact CA-O 3.41Å; C654-L657 PolarHBondContact N-O 3.46Å; C654-L657 CarbonylContact O-C 3.04Å; C654-L657 PolarHBondContact O-N 3.1Å; L657-V660 HydrophobicContact CD2-CG2 3.8Å; L657-V660 HydrophobicContact CG-CG2 4.46Å
658E93.8Very high92Very high90 Ų9062.4 Ų62.442%0.42132%0.323SS..SBendtrans-74.5-33.3-175.5-68.9117.2-135.900113.2Q608 R609Q608-E658 VanDerWaalsContact CA-OE2 3.22Å; Q608-E658 WeakPolarHBondContact CA-OE2 3.48Å; R609-E658 IonicContact CZ-OE1 3.48Å; R609-E658 PolarHBondContact N-OE2 3.45Å; R609-E658 IonicContact NE-OE1 2.68Å; R609-E658 PolarHBondContact NE-OE1 3.38Å; R609-E658 IonicContact NH2-OE1 3.5Å; R609-E658 PolarHBondContact NH2-OE1 3.24Å; R609-E658 PolarHBondContact O-N 3.18Å
659D94.3Very high92Very high79 Ų7965.6 Ų65.642%0.42234%0.34SS..EExtended strand (participates in β ladder)trans-145.3156-172.8-174.130.4000113.1K610 A611K610-D659 CarbonylContact C-O 3.49Å; K610-D659 WeakPolarHBondContact CA-O 3.46Å; K610-D659 HydrophobicContact CB-CB 4.46Å; K610-D659 HydrophobicContact CD-CB 4.41Å; K610-D659 HydrophobicContact CG-CB 4.1Å; A611-D659 PolarHBondContact N-O 3.32Å
660V95.9Very high92Very high20 Ų2062.6 Ų62.612%0.12132%0.322CS..EExtended strand (participates in β ladder)trans-138.7102.6-178.8-176.90000110.4A611 V613 P651 P653 L657 F662A611-V660 HydrophobicContact CB-CG1 4.49Å; A611-V660 HydrophobicContact CB-CG2 4.38Å; A611-V660 WeakPolarHBondContact O-CA 3.26Å; V613-V660 HydrophobicContact CG2-CG1 3.81Å; P651-V660 HydrophobicContact CB-CG1 4.36Å; P651-V660 HydrophobicContact CB-CG2 4.15Å; P651-V660 HydrophobicContact CG-CG1 3.72Å; P651-V660 HydrophobicContact CG-CG2 4.4Å; P653-V660 HydrophobicContact CG-CG2 4.16Å; L657-V660 HydrophobicContact CD2-CG2 3.8Å; L657-V660 HydrophobicContact CG-CG2 4.46Å; V660-F662 HydrophobicContact CG1-CD2 4.18Å; V660-F662 HydrophobicContact CG1-CE2 3.57Å; V660-F662 HydrophobicContact CG1-CZ 4.18Å
661A95.7Very high92Very high37 Ų3765 Ų6531%0.30633%0.332SS..EExtended strand (participates in β ladder)trans-89.3137.3174.700000111.5A611 I612 V613A611-A661 PolarHBondContact O-N 3.22Å; I612-A661 HydrophobicContact CD1-CB 3.95Å; V613-A661 PolarHBondContact N-O 3.19Å
662F95.1Very high91.9Very high35 Ų3569.7 Ų69.715%0.15435%0.352CS..EExtended strand (participates in β ladder)trans-108.1119.3172.5-73.3-101.9000108.7V613 L650 V660 R667 A670V613-F662 HydrophobicContact CB-CD1 3.86Å; V613-F662 HydrophobicContact CB-CE1 4Å; V613-F662 HydrophobicContact CB-CG 4.25Å; V613-F662 HydrophobicContact CB-CZ 4.5Å; V613-F662 HydrophobicContact CG1-CD1 3.84Å; V613-F662 HydrophobicContact CG1-CE1 3.77Å; V613-F662 HydrophobicContact CG2-CD1 4.38Å; V613-F662 HydrophobicContact CG2-CE1 4.11Å; V613-F662 HydrophobicContact CG2-CE2 4.46Å; V613-F662 HydrophobicContact CG2-CZ 4.14Å; L650-F662 HydrophobicContact CD1-CE1 4.03Å; L650-F662 HydrophobicContact CD1-CZ 4.1Å; L650-F662 HydrophobicContact CD2-CE1 4.13Å; V660-F662 HydrophobicContact CG1-CD2 4.18Å; V660-F662 HydrophobicContact CG1-CE2 3.57Å; V660-F662 HydrophobicContact CG1-CZ 4.18Å; F662-R667 HydrophobicContact CD1-CB 4.41Å; F662-R667 HydrophobicContact CD2-CB 4.2Å; F662-R667 HydrophobicContact CE1-CB 4.11Å; F662-R667 HydrophobicContact CE1-CG 4.32Å; F662-R667 HydrophobicContact CE2-CB 3.88Å; F662-R667 HydrophobicContact CE2-CG 4.03Å; F662-R667 HydrophobicContact CG-CB 4.47Å; F662-R667 HydrophobicContact CZ-CB 3.84Å; F662-R667 HydrophobicContact CZ-CG 3.75Å; F662-A670 HydrophobicContact CD1-CB 4.21Å; F662-A670 HydrophobicContact CE1-CB 4.04Å
663V92.5Very high91.9Very high56 Ų5664.9 Ų64.934%0.33933%0.33SS..SBendtrans-88-35.5-169.5-179.40000113.1I612 V613 I614I612-V663 HydrophobicContact CG2-CG2 3.43Å; I612-V663 VanDerWaalsContact CG2-CG2 3.43Å; V613-V663 PolarHBondContact O-N 2.78Å; V613-V663 VanDerWaalsContact O-N 3.11Å; I614-V663 HydrophobicContact CG1-CB 4.3Å; I614-V663 HydrophobicContact CG1-CG2 4.15Å
664E90.1Very high91.9Very high68 Ų6861.8 Ų61.832%0.31831%0.309SS..SBendtrans-119.1-94.3-172.2-62.5-174.2-133.600110I614 P616 R624 Q666I614-E664 WeakPolarHBondContact CG2-OE1 3.29Å; P616-E664 WeakPolarHBondContact CB-OE2 3.48Å; R624-E664 IonicContact CZ-OE1 2.67Å; R624-E664 IonicContact CZ-OE2 3.83Å; R624-E664 VanDerWaalsContact CZ-OE2 3.3Å; R624-E664 VanDerWaalsContact NH1-CD 3.33Å; R624-E664 IonicContact NH1-OE1 3.5Å; R624-E664 PolarHBondContact NH1-OE1 2.93Å; R624-E664 IonicContact NH1-OE2 3.97Å; R624-E664 PolarHBondContact NH1-OE2 3.26Å; R624-E664 IonicContact NH2-OE1 2.8Å; R624-E664 IonicContact NH2-OE2 2.67Å; R624-E664 PolarHBondContact NH2-OE2 3.28Å; E664-Q666 PolarHBondContact O-N 3.21Å
665L91Very high92Very high39 Ų3964.4 Ų64.420%0.20432%0.315CS..SBendtrans-64.6132.6169.7-68.5178.8000111.1C615 P616 T617 D669 A670 L673C615-L665 VanDerWaalsContact O-CB 3.26Å; C615-L665 WeakPolarHBondContact O-CB 3.24Å; C615-L665 VanDerWaalsContact O-CG 3.28Å; C615-L665 WeakPolarHBondContact O-CG 2.94Å; C615-L665 PolarHBondContact O-N 2.99Å; C615-L665 VanDerWaalsContact O-N 3.12Å; P616-L665 VanDerWaalsContact O-CD1 3.25Å; P616-L665 WeakPolarHBondContact O-CD1 3.48Å; T617-L665 HydrophobicContact CG2-CD2 4.46Å; L665-D669 HydrophobicContact CD2-CB 4.29Å; L665-A670 HydrophobicContact CB-CB 4.23Å; L665-L673 HydrophobicContact CD1-CD2 3.78Å
666Q92.9Very high92.3Very high119 Ų11963.3 Ų63.356%0.55631%0.305SS*.  trans-67.5159.2173-62.2-55.1-57.200111.3E664 E668 D669 A670E664-Q666 PolarHBondContact O-N 3.21Å; Q666-E668 VanDerWaalsContact C-N 3.27Å; Q666-E668 PolarHBondContact O-N 3.17Å; Q666-E668 VanDerWaalsContact O-N 3.09Å; Q666-D669 PolarHBondContact O-N 2.75Å; Q666-A670 WeakPolarHBondContact O-CB 3.19Å; Q666-A670 PolarHBondContact O-N 2.77Å
667R91.5Very high92.5Very high117 Ų11762.7 Ų62.744%0.44230%0.302SS..Hα-helixtrans-47.9-44.7-171-177.6176.7179.4-179.10.4113.8E652 F662 E671E652-R667 IonicContact OE1-CZ 2.72Å; E652-R667 IonicContact OE1-NH2 2.72Å; E652-R667 PolarHBondContact OE1-NH2 2.93Å; F662-R667 HydrophobicContact CD1-CB 4.41Å; F662-R667 HydrophobicContact CD2-CB 4.2Å; F662-R667 HydrophobicContact CE1-CB 4.11Å; F662-R667 HydrophobicContact CE1-CG 4.32Å; F662-R667 HydrophobicContact CE2-CB 3.88Å; F662-R667 HydrophobicContact CE2-CG 4.03Å; F662-R667 HydrophobicContact CG-CB 4.47Å; F662-R667 HydrophobicContact CZ-CB 3.84Å; F662-R667 HydrophobicContact CZ-CG 3.75Å; R667-E671 WeakPolarHBondContact O-CB 3.31Å; R667-E671 PolarHBondContact O-N 2.77Å
668E91.1Very high92.5Very high137 Ų13763.6 Ų63.664%0.6431%0.307SS*.Hα-helixtrans-64.9-44.1-178-62.8-172.7-16700113.1Q666 E671 K672Q666-E668 VanDerWaalsContact C-N 3.27Å; Q666-E668 PolarHBondContact O-N 3.17Å; Q666-E668 VanDerWaalsContact O-N 3.09Å; E668-E671 PolarHBondContact O-N 3.12Å; E668-K672 WeakPolarHBondContact O-CE 2.97Å; E668-K672 VanDerWaalsContact O-CG 3.28Å; E668-K672 WeakPolarHBondContact O-CG 3.37Å; E668-K672 PolarHBondContact O-N 3.16Å; E668-K672 IonicContact OE2-NZ 3.65Å
669D92Very high92.4Very high73 Ų7365.9 Ų65.939%0.3932%0.317SS..Hα-helixtrans-77.6-35.5-178.4-62.7-49000111.7L665 Q666 E671 K672 L673L665-D669 HydrophobicContact CD2-CB 4.29Å; Q666-D669 PolarHBondContact O-N 2.75Å; D669-E671 VanDerWaalsContact C-N 3.27Å; D669-E671 PolarHBondContact O-N 3.46Å; D669-K672 PolarHBondContact O-N 3.09Å; D669-K672 WeakPolarHBondContact OD1-CD 3.5Å; D669-K672 WeakPolarHBondContact OD1-CE 3.37Å; D669-K672 IonicContact OD1-NZ 2.63Å; D669-K672 PolarHBondContact OD1-NZ 3.15Å; D669-L673 WeakPolarHBondContact O-CB 3.46Å; D669-L673 PolarHBondContact O-N 2.77Å
670A91.8Very high92.2Very high0 Ų065.9 Ų65.90%032%0.315CS..Hα-helixtrans-58.6-38.7167.500000111.5C615 L650 F662 L665 Q666 L674C615-A670 HydrophobicContact CB-CB 4.18Å; L650-A670 HydrophobicContact CD1-CB 4.5Å; F662-A670 HydrophobicContact CD1-CB 4.21Å; F662-A670 HydrophobicContact CE1-CB 4.04Å; L665-A670 HydrophobicContact CB-CB 4.23Å; Q666-A670 WeakPolarHBondContact O-CB 3.19Å; Q666-A670 PolarHBondContact O-N 2.77Å; A670-L674 WeakPolarHBondContact O-CB 3.45Å; A670-L674 PolarHBondContact O-N 2.79Å
671E92.8Very high91.8Very high79 Ų7965 Ų6537%0.36931%0.31SS..Hα-helixtrans-70.9-37.4175.9-160-166133.900112.7L650 R667 E668 D669 L674 K675L650-E671 HydrophobicContact CD1-CB 4.2Å; R667-E671 WeakPolarHBondContact O-CB 3.31Å; R667-E671 PolarHBondContact O-N 2.77Å; E668-E671 PolarHBondContact O-N 3.12Å; D669-E671 VanDerWaalsContact C-N 3.27Å; D669-E671 PolarHBondContact O-N 3.46Å; E671-L674 PolarHBondContact O-N 3.48Å; E671-K675 WeakPolarHBondContact O-CG 3.45Å; E671-K675 PolarHBondContact O-N 3.06Å; E671-K675 VanDerWaalsContact O-N 3.07Å; E671-K675 WeakPolarHBondContact OE1-CE 3.47Å; E671-K675 IonicContact OE1-NZ 3.21Å; E671-K675 PolarHBondContact OE1-NZ 3.48Å
672K92.8Very high91.4Very high100 Ų10071.2 Ų71.244%0.43533%0.326SS..Hα-helixtrans-61.5-50.6174-68.3161.7-149.1163.70110.9E668 D669 L674 K675 Q676E668-K672 WeakPolarHBondContact O-CE 2.97Å; E668-K672 VanDerWaalsContact O-CG 3.28Å; E668-K672 WeakPolarHBondContact O-CG 3.37Å; E668-K672 PolarHBondContact O-N 3.16Å; E668-K672 IonicContact OE2-NZ 3.65Å; D669-K672 PolarHBondContact O-N 3.09Å; D669-K672 WeakPolarHBondContact OD1-CD 3.5Å; D669-K672 WeakPolarHBondContact OD1-CE 3.37Å; D669-K672 IonicContact OD1-NZ 2.63Å; D669-K672 PolarHBondContact OD1-NZ 3.15Å; K672-L674 VanDerWaalsContact C-N 3.34Å; K672-L674 PolarHBondContact O-N 2.62Å; K672-K675 PolarHBondContact O-N 3.09Å; K672-Q676 PolarHBondContact O-N 3.1Å
673L91.3Very high91.1Very high15 Ų1578.7 Ų78.78%0.07936%0.358CS..Hα-helixtrans-63.5-39.7176.9-178.958000111.6P616 D618 L665 D669 K675 Q676 Y677P616-L673 WeakPolarHBondContact O-CD2 2.96Å; D618-L673 HydrophobicContact CB-CD1 4.07Å; L665-L673 HydrophobicContact CD1-CD2 3.78Å; D669-L673 WeakPolarHBondContact O-CB 3.46Å; D669-L673 PolarHBondContact O-N 2.77Å; L673-K675 VanDerWaalsContact C-N 3.31Å; L673-K675 PolarHBondContact O-N 3.09Å; L673-Q676 WeakPolarHBondContact O-CB 3.25Å; L673-Q676 PolarHBondContact O-N 3.41Å; L673-Y677 HydrophobicContact CD1-CD1 4.33Å; L673-Y677 HydrophobicContact CD1-CE1 3.81Å; L673-Y677 HydrophobicContact CD1-CE2 4.11Å; L673-Y677 HydrophobicContact CD2-CE2 4.03Å; L673-Y677 HydrophobicContact CG-CD2 4.21Å; L673-Y677 HydrophobicContact CG-CE1 4.39Å; L673-Y677 HydrophobicContact CG-CE2 3.78Å; L673-Y677 PolarHBondContact O-N 2.87Å
674L90.9Very high90.6Very high13 Ų1379 Ų797%0.06837%0.366CS..Hα-helixtrans-65.5-30.9178.8-176.458.3000113.4F648 L650 A670 E671 K672 N678F648-L674 HydrophobicContact CB-CD1 3.64Å; F648-L674 HydrophobicContact CD1-CD1 3.33Å; F648-L674 HydrophobicContact CD2-CD1 4.26Å; F648-L674 HydrophobicContact CE1-CD1 3.97Å; F648-L674 HydrophobicContact CG-CD1 3.47Å; F648-L674 VanDerWaalsContact CG-CD1 3.47Å; F648-L674 WeakPolarHBondContact O-CD1 3.43Å; L650-L674 HydrophobicContact CD2-CD2 3.97Å; L650-L674 HydrophobicContact CG-CD2 3.65Å; A670-L674 WeakPolarHBondContact O-CB 3.45Å; A670-L674 PolarHBondContact O-N 2.79Å; E671-L674 PolarHBondContact O-N 3.48Å; K672-L674 VanDerWaalsContact C-N 3.34Å; K672-L674 PolarHBondContact O-N 2.62Å; L674-N678 WeakPolarHBondContact CD1-ND2 3.47Å; L674-N678 WeakPolarHBondContact O-CB 3.28Å; L674-N678 PolarHBondContact O-N 3Å; L674-N678 PolarHBondContact O-ND2 2.98Å
675K91.9Very high89.8Confident108 Ų10877.2 Ų77.247%0.4737%0.367SS..Hα-helixtrans-64.5-45.4172.1-74.1162.1-175.1164.80111E671 K672 L673 Y677 N678 E679E671-K675 WeakPolarHBondContact O-CG 3.45Å; E671-K675 PolarHBondContact O-N 3.06Å; E671-K675 VanDerWaalsContact O-N 3.07Å; E671-K675 WeakPolarHBondContact OE1-CE 3.47Å; E671-K675 IonicContact OE1-NZ 3.21Å; E671-K675 PolarHBondContact OE1-NZ 3.48Å; K672-K675 PolarHBondContact O-N 3.09Å; L673-K675 VanDerWaalsContact C-N 3.31Å; L673-K675 PolarHBondContact O-N 3.09Å; K675-Y677 PolarHBondContact O-N 3.24Å; K675-N678 PolarHBondContact O-N 3.14Å; K675-E679 WeakPolarHBondContact O-CG 3.47Å; K675-E679 PolarHBondContact O-N 3.45Å
676Q91.3Very high88.8Confident122 Ų12280.9 Ų80.957%0.5739%0.393SS*.Hα-helixtrans-59.6-45.9175.5-61.9172.5-6.900111.5K672 L673 E679 E680K672-Q676 PolarHBondContact O-N 3.1Å; L673-Q676 WeakPolarHBondContact O-CB 3.25Å; L673-Q676 PolarHBondContact O-N 3.41Å; Q676-E679 PolarHBondContact O-N 3.45Å; Q676-E680 WeakPolarHBondContact O-CB 3.33Å; Q676-E680 PolarHBondContact O-N 3.01Å
677Y92Very high87.3Confident7 Ų780.8 Ų80.83%0.02740%0.403CS..Hα-helixtrans-63.4-40.4175-71.9-14.8000113.2L512 D618 K645 L673 K675 E679 E680 G681L512-Y677 HydrophobicContact CD1-CD2 3.86Å; L512-Y677 HydrophobicContact CD1-CE2 3.74Å; D618-Y677 VanDerWaalsContact OD1-CE1 3.25Å; D618-Y677 WeakPolarHBondContact OD1-CE1 3.43Å; D618-Y677 PolarHBondContact OD1-OH 3.43Å; K645-Y677 CarbonylContact C-O 3.52Å; K645-Y677 WeakPolarHBondContact CB-O 3.26Å; K645-Y677 HydrophobicContact CD-CD1 3.89Å; K645-Y677 HydrophobicContact CD-CE1 4.49Å; K645-Y677 HydrophobicContact CD-CG 3.97Å; K645-Y677 HydrophobicContact CG-CD1 4.48Å; K645-Y677 HydrophobicContact CG-CD2 4.43Å; K645-Y677 HydrophobicContact CG-CG 4.05Å; K645-Y677 CarbonylContact O-C 3.5Å; L673-Y677 HydrophobicContact CD1-CD1 4.33Å; L673-Y677 HydrophobicContact CD1-CE1 3.81Å; L673-Y677 HydrophobicContact CD1-CE2 4.11Å; L673-Y677 HydrophobicContact CD2-CE2 4.03Å; L673-Y677 HydrophobicContact CG-CD2 4.21Å; L673-Y677 HydrophobicContact CG-CE1 4.39Å; L673-Y677 HydrophobicContact CG-CE2 3.78Å; L673-Y677 PolarHBondContact O-N 2.87Å; K675-Y677 PolarHBondContact O-N 3.24Å; Y677-E679 VanDerWaalsContact C-N 3.31Å; Y677-E679 PolarHBondContact O-N 3.34Å; Y677-E680 WeakPolarHBondContact CD1-OE2 3.2Å; Y677-E680 PolarHBondContact O-N 3.18Å; Y677-G681 PolarHBondContact O-N 3.2Å
678N92.3Very high85.7Confident21 Ų2180.6 Ų80.611%0.11242%0.417CS..Hα-helixtrans-62.1-39.3175-91-93.3000111.7K645 A646 F648 L674 K675 R682K645-N678 VanDerWaalsContact O-CA 3.31Å; K645-N678 WeakPolarHBondContact O-CA 3.33Å; K645-N678 PolarHBondContact O-N 3.47Å; A646-N678 PolarHBondContact O-OD1 2.97Å; F648-N678 PolarHBondContact O-ND2 2.76Å; L674-N678 WeakPolarHBondContact CD1-ND2 3.47Å; L674-N678 WeakPolarHBondContact O-CB 3.28Å; L674-N678 PolarHBondContact O-N 3Å; L674-N678 PolarHBondContact O-ND2 2.98Å; K675-N678 PolarHBondContact O-N 3.14Å; N678-R682 VanDerWaalsContact O-CB 3.29Å; N678-R682 WeakPolarHBondContact O-CB 3.28Å; N678-R682 VanDerWaalsContact O-CD 3.28Å; N678-R682 WeakPolarHBondContact O-CD 3.31Å; N678-R682 WeakPolarHBondContact O-CG 3.42Å; N678-R682 PolarHBondContact O-N 2.84Å; N678-R682 VanDerWaalsContact O-N 3.13Å; N678-R682 PolarHBondContact OD1-NH2 3.16Å
679E91.4Very high83.9Confident138 Ų13881.6 Ų81.665%0.64543%0.426SS*.Hα-helixtrans-70.2-44.7176.2-72175.1-161.600112.4K675 Q676 Y677 R682 K683K675-E679 WeakPolarHBondContact O-CG 3.47Å; K675-E679 PolarHBondContact O-N 3.45Å; Q676-E679 PolarHBondContact O-N 3.45Å; Y677-E679 VanDerWaalsContact C-N 3.31Å; Y677-E679 PolarHBondContact O-N 3.34Å; E679-R682 PolarHBondContact O-N 3.49Å; E679-K683 WeakPolarHBondContact O-CB 3.1Å; E679-K683 PolarHBondContact O-N 3.41Å
680E89.8Confident81.9Confident79 Ų7986.7 Ų86.737%0.36945%0.445SS..Hα-helixtrans-55.5-54.6174.8-177.1-162.9150.800111.4L642 K645 Q676 Y677 R682 K683 A684L642-E680 HydrophobicContact CD2-CG 4.06Å; K645-E680 WeakPolarHBondContact CD-OE2 3.39Å; K645-E680 IonicContact NZ-OE1 2.62Å; K645-E680 PolarHBondContact NZ-OE1 3.45Å; K645-E680 IonicContact NZ-OE2 2.75Å; K645-E680 PolarHBondContact NZ-OE2 2.75Å; Q676-E680 WeakPolarHBondContact O-CB 3.33Å; Q676-E680 PolarHBondContact O-N 3.01Å; Y677-E680 WeakPolarHBondContact CD1-OE2 3.2Å; Y677-E680 PolarHBondContact O-N 3.18Å; E680-R682 PolarHBondContact O-N 3.4Å; E680-K683 PolarHBondContact O-N 3.43Å; E680-A684 WeakPolarHBondContact O-CB 3.45Å; E680-A684 PolarHBondContact O-N 3.03Å
681G88.1Confident79.8Confident2 Ų297.8 Ų97.82%0.02149%0.487CS..Hα-helixtrans-63.5-38.7-179.200000112.9L642 Y677 K683 G685L642-G681 WeakPolarHBondContact O-CA 3.29Å; Y677-G681 PolarHBondContact O-N 3.2Å; G681-K683 VanDerWaalsContact C-N 3.34Å; G681-G685 PolarHBondContact O-N 2.92Å
682R87.4Confident77.4Confident167 Ų167102.6 Ų102.663%0.6351%0.507SS*.Hα-helixtrans-72.5-25176.5-71171.1-166.5-174.88.6113.5A646 N678 E679 E680A646-R682 HydrophobicContact CB-CG 4.01Å; A646-R682 PolarHBondContact O-NE 3.13Å; N678-R682 VanDerWaalsContact O-CB 3.29Å; N678-R682 WeakPolarHBondContact O-CB 3.28Å; N678-R682 VanDerWaalsContact O-CD 3.28Å; N678-R682 WeakPolarHBondContact O-CD 3.31Å; N678-R682 WeakPolarHBondContact O-CG 3.42Å; N678-R682 PolarHBondContact O-N 2.84Å; N678-R682 VanDerWaalsContact O-N 3.13Å; N678-R682 PolarHBondContact OD1-NH2 3.16Å; E679-R682 PolarHBondContact O-N 3.49Å; E680-R682 PolarHBondContact O-N 3.4Å
683K88.8Confident75.2Confident192 Ų192104 Ų10484%0.83552%0.519SS*.Hα-helixtrans-81.3-31.1175.7-177.2-178.9176.2-1740112.4E679 E680 G681E679-K683 WeakPolarHBondContact O-CB 3.1Å; E679-K683 PolarHBondContact O-N 3.41Å; E680-K683 PolarHBondContact O-N 3.43Å; G681-K683 VanDerWaalsContact C-N 3.34Å
684A82.1Confident72.8Confident62 Ų62110.9 Ų110.951%0.51256%0.556SS.*Hα-helixtrans-89.9-23.9178.100000113.7L642 E680L642-A684 HydrophobicContact CD1-CB 3.78Å; L642-A684 HydrophobicContact CD2-CB 3.97Å; L642-A684 HydrophobicContact CG-CB 4.35Å; E680-A684 WeakPolarHBondContact O-CB 3.45Å; E680-A684 PolarHBondContact O-N 3.03Å
685G71.9Confident70.6Confident32 Ų32120.2 Ų120.233%0.3359%0.59SS.*SBendtrans-66.1158.9170.800000112.8G681G681-G685 PolarHBondContact O-N 2.92Å
686P70Confident68.1Low116 Ų116124 Ų12475%0.75361%0.61SS**PPolyproline II helixtrans-58.9149.5171.427.2-34.6000110.3
687P61Low65.6Low117 Ų117121.6 Ų121.676%0.7662%0.617SS**PPolyproline II helixtrans-51.7130.4178-26.134.4000110.3D689P687-D689 PolarHBondContact O-N 3.48Å
688P57.9Low63Low113 Ų113124.4 Ų124.473%0.73465%0.648SS**PPolyproline II helixtrans-59.2128.1-173.123.3-33.8000109.6K690P688-K690 PolarHBondContact O-N 2.9Å
689D55.2Low60.3Low157 Ų157133.2 Ų133.284%0.8469%0.686SS**  trans-49.1111.1179.4-97.6-38.6000109.3P687 R691P687-D689 PolarHBondContact O-N 3.48Å; D689-R691 PolarHBondContact O-N 2.88Å
690K49.8Very low57.7Low180 Ų180138.5 Ų138.578%0.78370%0.7SS**  trans-67.390170.7-72.5-178-178.9175.60106.2P688 F692P688-K690 PolarHBondContact O-N 2.9Å; K690-F692 WeakPolarHBondContact O-CD2 3.49Å; K690-F692 PolarHBondContact O-N 2.95Å
691R46.3Very low55Low233 Ų233138 Ų13888%0.87972%0.716SS**  trans-52.994.6160.1-72.7-175.7175.7-174.2-1.7106.3D689 D693D689-R691 PolarHBondContact O-N 2.88Å; R691-D693 VanDerWaalsContact C-N 3.34Å; R691-D693 PolarHBondContact O-N 2.84Å
692F43.3Very low52.4Low181 Ų181150 Ų15079%0.79476%0.76SS**  trans-59.5106.2169-89.5-92.5000105.3K690 N694K690-F692 WeakPolarHBondContact O-CD2 3.49Å; K690-F692 PolarHBondContact O-N 2.95Å; F692-N694 PolarHBondContact O-N 3.35Å
693D45.9Very low49.7Very low128 Ų128146 Ų14668%0.68477%0.771SS**  trans-71.483-177.7-156-7.8000106.6R691 R695R691-D693 VanDerWaalsContact C-N 3.34Å; R691-D693 PolarHBondContact O-N 2.84Å; D693-R695 PolarHBondContact O-N 3.02Å; D693-R695 WeakPolarHBondContact OD1-CD 3.18Å
694N41.4Very low47.1Very low160 Ų160141 Ų14186%0.85678%0.775SS**  trans-74.928.4-169.5-14512.2000111.9F692 Q696F692-N694 PolarHBondContact O-N 3.35Å; N694-Q696 VanDerWaalsContact C-N 3.3Å; N694-Q696 PolarHBondContact O-N 2.86Å
695R43.8Very low44.7Very low209 Ų209142 Ų14279%0.78979%0.791SS**  trans-71.687.4164.9-73.7-179.5162.8-174.2-3.9108.2D693 G697D693-R695 PolarHBondContact O-N 3.02Å; D693-R695 WeakPolarHBondContact OD1-CD 3.18Å; R695-G697 PolarHBondContact O-N 3.48Å
696Q41.4Very low42.7Very low188 Ų188146.2 Ų146.288%0.87982%0.815SS**  trans-32.3121.7165.7-175.117958.800111N694 G698N694-Q696 VanDerWaalsContact C-N 3.3Å; N694-Q696 PolarHBondContact O-N 2.86Å; Q696-G698 PolarHBondContact O-N 2.87Å
697G38.5Very low40.8Very low71 Ų71151.1 Ų151.173%0.73282%0.82SS**  trans-63.391.4-166.500000113.7R695 F699R695-G697 PolarHBondContact O-N 3.48Å; G697-F699 PolarHBondContact O-N 2.97Å
698G36Very low39.6Very low66 Ų66154.3 Ų154.368%0.6883%0.825SS**  trans-64.794.2177.600000112Q696 R700Q696-G698 PolarHBondContact O-N 2.87Å; G698-R700 PolarHBondContact O-N 2.78Å
699F35.3Very low38.2Very low206 Ų206159.3 Ų159.390%0.90483%0.829SS**  trans-58.198.5-178.2-132.6-98.1000111.1G697 G701G697-F699 PolarHBondContact O-N 2.97Å; F699-G701 VanDerWaalsContact C-N 3.33Å; F699-G701 PolarHBondContact O-N 3.04Å
700R37.7Very low37Very low250 Ų250160.3 Ų160.394%0.94382%0.823SS**  trans-74.283177.6-77.8-170.5173.1-168.5-0.9110.7G698 R702G698-R700 PolarHBondContact O-N 2.78Å; R700-R702 PolarHBondContact O-N 3.13Å
701G34Very low36Very low67 Ų67157.4 Ų157.469%0.69182%0.816SS**  trans-67.2126.3178.900000113.6F699F699-G701 VanDerWaalsContact C-N 3.33Å; F699-G701 PolarHBondContact O-N 3.04Å
702R33.6Very low35.1Very low255 Ų255152.5 Ų152.596%0.96281%0.807SS**  trans-159.9119.3155.5-120.2-173.3-175.1-142.11.7111.4R700R700-R702 PolarHBondContact O-N 3.13Å
703G30.6Very low34.5Very low82 Ų82153.1 Ų153.185%0.84580%0.804SS**  trans118.9138.2167.800000114.7
704G33Very low33.8Very low89 Ų89153.1 Ų153.192%0.91880%0.804SS**  trans91.9112-179.200000112.8
705G32.1Very low33.2Very low83 Ų83149.1 Ų149.186%0.85680%0.8SS**  trans-114.8163.2-179.200000113.3
706S30.6Very low32.6Very low120 Ų120148.6 Ų148.684%0.83980%0.804SS**  trans-141.6168.6160.7-164.30000109.9
707Y30Very low32.2Very low218 Ų218151.4 Ų151.486%0.85581%0.807SS**  trans-91.8-177-167.1-85.7-109.7000113.7
708Q34.9Very low31.7Very low185 Ų185151.8 Ų151.886%0.86481%0.811SS**  trans77.6104.3175.3-55.5165.9-46.800112.9
709R29.1Very low31.4Very low218 Ų218154.4 Ų154.482%0.82382%0.818SS**  cis78.811123.9-143.3-164-163.6-155.96.5114.9
710Y29Very low31.3Very low178 Ų178154.6 Ų154.670%0.69882%0.815SS**  trans90.1128.5156.7-88.1-62.6000122.9
711D29.6Very low31Very low119 Ų119151.6 Ų151.664%0.63681%0.811SS**  trans84.3127.7132.1-86.6-21.4000124.3
712N28.4Very low30.8Very low129 Ų129155 Ų15569%0.6981%0.813SS**  trans63.7162.4136.1-71.8-46.1000120.5
713R29Very low30.7Very low195 Ų195154.1 Ų154.174%0.73681%0.81SS**  cis172.8139.9-33.6163.6177.1166.3178.8-2.8107.6
714D31Very low30.7Very low128 Ų128155.9 Ų155.968%0.68481%0.809SS**  trans61147170.7-62-28.9000117.8
715G28.8Very low30.5Very low76 Ų76155.3 Ų155.378%0.78480%0.803SS**  trans171.267-179.500000117.3
716F31.2Very low30.4Very low198 Ų198160.7 Ų160.787%0.86881%0.807SS**  trans-67.6145.4-179.2-86.1-108.1000115.9
717R33.3Very low30.3Very low247 Ų247158.8 Ų158.893%0.93281%0.806SS**  trans160.1140.6134.8-87.4160.5-167.6-159.45.3110.2
718G29.4Very low30.4Very low79 Ų79151.8 Ų151.881%0.81480%0.8SS**  cis127.197-9.800000114.6
719S28.6Very low30.1Very low120 Ų120149.8 Ų149.884%0.83981%0.806SS**  trans-163.9157.8158.2-1620000112.3
720Y32.8Very low30.1Very low211 Ų211142.8 Ų142.883%0.82780%0.802SS**  trans-131.5149.6-179.1-90.6-98.1000110.7
721Q31.6Very low30.3Very low187 Ų187145.3 Ų145.387%0.87481%0.812SS**  trans173.8157.9145.7-99.61622.600110.8
722N31.2Very low30.2Very low137 Ų137151.7 Ų151.773%0.73383%0.827SS**  -174.9127-50-122.6-21000110.4
723R30.2Very low30.1Very low237 Ų237149.3 Ų149.389%0.89483%0.833SS**  trans158.3125.6156.6-93.1165.9173.7-176.6-3.2108.3
724S31Very low30Very low119 Ų119143.1 Ų143.183%0.83283%0.83SS**  cis74.1121.748.5-51.80000112.3
725G29.1Very low30.1Very low77 Ų77147.5 Ų147.579%0.79484%0.838SS**  cis-146.5-150.1-3.700000110.1
726E29.8Very low30Very low197 Ų197150.9 Ų150.992%0.92184%0.838SS**  cis-166.8145.7-1.4-171.7170.3135.900110.3
727G29.3Very low29.9Very low80 Ų80153 Ų15383%0.82584%0.84SS**  trans73.4156.6168.900000118
728G30.2Very low29.6Very low71 Ų71144.5 Ų144.573%0.73283%0.83SS**  cis160.1121.1-11.700000113.8
729S30.4Very low29.5Very low142 Ų142146.3 Ų146.399%0.99383%0.83SS**  trans63.8161.1178.3-660000116.3
730G28.5Very low29.6Very low71 Ų71150.1 Ų150.173%0.73283%0.828SS**  cis-171.2176.7-2.600000112.6
731Y32Very low29.3Very low232 Ų232144.4 Ų144.491%0.9182%0.819SS**  trans-90.6160.6-179.2-78.9-100.3000113.8
732R27.7Very low29.1Very low252 Ų252142.2 Ų142.295%0.95181%0.809SS**  trans95.3144.2161.8-60.4-179.7165.5-167.9-3.6118.4
733G27Very low29Very low80 Ų80142.2 Ų142.283%0.82581%0.808SS**  trans95.3122.1161.400000114.6
734G27.8Very low28.9Very low64 Ų64142.5 Ų142.566%0.6681%0.81SS**  cis119127.2-13.400000115.7
735Y31.2Very low28.9Very low220 Ų220149.5 Ų149.586%0.86382%0.818SS**  trans90.4147.1161.9-52.2-68.1000120.7
736N27.3Very low28.7Very low147 Ų147149.1 Ų149.179%0.78681%0.814SS**  trans77.9118.5169.7-58.7-55.2000116.5
737R29.9Very low28.7Very low242 Ų242147.5 Ų147.591%0.91381%0.812SS**  cis-138.4165.10.4-63.3-174.2177.5166.2-0111.6
738G26.7Very low28.5Very low70 Ų70149.2 Ų149.272%0.72281%0.811SS**  trans-118.9-156.1173.700000113.5
739S27.6Very low28.3Very low116 Ų116157.2 Ų157.281%0.81182%0.821SS**  trans82.6114.7-162.7-156.50000111.8
740Y29.2Very low28.2Very low200 Ų200162.3 Ų162.378%0.78482%0.818SS**  68.4120.252.8-151.6-96.3000110.3
741S26.5Very low28Very low92 Ų92166.9 Ų166.964%0.64383%0.826SS**  cis-126.7152.526.2-52.20000112.2
742Q28.7Very low27.8Very low141 Ų141159.2 Ų159.266%0.65982%0.817SS**  64.6109.366.1-102.7-83.4-1000115
743N28.3Very low27.7Very low136 Ų136151 Ų15173%0.72781%0.811SS**  trans50.9127157.8-68.61.8000123.1
744R28.8Very low28Very low244 Ų244152.7 Ų152.792%0.92181%0.81SS**  -159.592121.5-115.7177.6-177-169.4-0.1113.8
745W30.7Very low28.1Very low265 Ų265157.7 Ų157.7100%1.00482%0.822SS**  trans-85.7135.7138.4-86.158.1000106.5
746G26Very low28Very low69 Ų69153.4 Ų153.471%0.71182%0.819SS**  trans-177.2118.4-178.900000112.6
747N29.2Very low28.3Very low164 Ų164158 Ų15888%0.87783%0.825SS**  trans-63.4159.6171.5-79.82.1000111.6
748S25.1Very low28.1Very low115 Ų115149.9 Ų149.980%0.80482%0.817SS**  trans-151.588.4153.2-770000111
749Y25.6Very low28.1Very low239 Ų239151.7 Ų151.794%0.93782%0.818SS**  trans-109.6141131.9-88.7-79.7000106.9
750R27.8Very low28.2Very low249 Ų249156.3 Ų156.394%0.9482%0.819SS**  trans-83.8136-179.9-67.3174.3175.1165-3.7109.5
751D25.5Very low28.1Very low167 Ų167153.7 Ų153.789%0.89382%0.819SS**  trans-140.5158.1130-154.2-18.2000108.1
752G27.6Very low28.1Very low71 Ų71160.4 Ų160.473%0.73283%0.83SS**  trans-176.156.9-165.400000115.5
753G25.2Very low28Very low80 Ų80159.3 Ų159.383%0.82583%0.829SS**  trans-86123161.100000111.1
754S33.1Very low28.1Very low115 Ų115159.4 Ų159.480%0.80483%0.825SS**  trans-128.5106.6-179.868.30000112.6T756S754-T756 PolarHBondContact O-N 2.95Å
755D30.2Very low28.1Very low169 Ų169155.7 Ų155.790%0.90482%0.818SS**  trans-88.691.1171.1-104.4-51.7000111.8
756T29.9Very low28.1Very low130 Ų130147.8 Ų147.880%0.79880%0.803SS**  trans-150.3103.8157.7-47.90000113.4S754S754-T756 PolarHBondContact O-N 2.95Å
757R31.9Very low28.2Very low245 Ų245150.4 Ų150.493%0.92581%0.81SS**  trans-0.1116.4153-59.2173.7-178.5170.10.3116.9
758G26.9Very low28.1Very low71 Ų71146 Ų14673%0.73280%0.804SS**  trans-88.2173173.500000115.4
759S25.8Very low28.1Very low107 Ų107144.8 Ų144.875%0.74880%0.795SS**  trans-158112165-84.90000113.3
760Y29.3Very low28.2Very low213 Ų213143.4 Ų143.484%0.83579%0.79SS**  trans51.491.5147.7-51.3-68.8000122.3
761N27.2Very low28.2Very low146 Ų146138.7 Ų138.778%0.78178%0.784SS**  59113.3106.2-175.117.8000121.3
762R26.9Very low28.3Very low233 Ų233141.4 Ų141.488%0.87978%0.781SS**  -167.2100.2126.1-175.2165.4-79.3-157.3-4.3115.7
763N26.7Very low29.2Very low118 Ų118143.2 Ų143.263%0.63178%0.78SS**  49.8133.3127.5-153.439.1000125.1
764Q30.7Very low29.5Very low138 Ų138144 Ų14465%0.64578%0.778SS**  trans85127.6143.7-94.3171.920.900124.9
765Q29.7Very low29.3Very low165 Ų165143.4 Ų143.477%0.77177%0.774SS**  trans69.2154.8139.6-73.8169.915.100119.9
766S29.4Very low29.1Very low99 Ų99145.2 Ų145.269%0.69277%0.77SS**  cis-170.2156.7-19.9-177.90000109.9
767S28.2Very low29.2Very low124 Ų124145.4 Ų145.487%0.86777%0.766SS**  trans63162.4167.174.50000117.3
768G27.2Very low29.1Very low72 Ų72141.4 Ų141.474%0.74276%0.756SS**  cis176.5125.5-1000000114.4
769S26.2Very low29.2Very low89 Ų89144 Ų14462%0.62276%0.758SS**  trans27.2155.1144.7-151.40000124.7
770Y27.3Very low29.3Very low210 Ų210142.1 Ų142.182%0.82476%0.755SS**  trans76.3149.9167.9-50.8-70.2000116.6
771N27.6Very low29.2Very low151 Ų151142.4 Ų142.481%0.80776%0.756SS**  cis-148.2165.312.1-146.7-10.8000115
772R28.3Very low29.3Very low224 Ų224141.8 Ų141.885%0.84575%0.753SS**  trans-89.9-166.9166-118.8-172.7-179.9-173.22.6109.1
773P45.7Very low29.4Very low109 Ų109138.5 Ų138.571%0.70875%0.747SS**  cis-142.4-178.211.744.3-25.1000118.3
774A30.6Very low29.4Very low95 Ų95138.9 Ų138.979%0.78575%0.754SS**  trans70.8162.1141.800000121.8
775S28.8Very low29.2Very low103 Ų103136.6 Ų136.672%0.7276%0.758SS**  cis-175-178.8-32.4-166.90000110.4
776Y27.2Very low29.1Very low208 Ų208133.7 Ų133.782%0.81676%0.762SS**  trans72.6131.3173.8-84.6-101.9000118.4
777N31.4Very low29.1Very low133 Ų133133.6 Ų133.671%0.71177%0.768SS**  cis111128.7-0.9-163.99.4000117.1
778K29.8Very low29.2Very low162 Ų162133.2 Ų133.270%0.70477%0.765SS**  trans114.2129.9134.7-144-169.4-179.3-176.80121.4
779T28.6Very low30.3Very low126 Ų126134.7 Ų134.777%0.77376%0.762SS**  trans65.5152.8153.430.40000120.6
780G28.3Very low30.4Very low67 Ų67138.5 Ų138.569%0.69177%0.769SS**  cis159.9163.3-10.800000115.9
781Y27.9Very low30.4Very low218 Ų218134.3 Ų134.386%0.85576%0.761SS**  trans65.7106.2160.2-88.4-108000123.6
782N28.1Very low30.4Very low134 Ų134135.6 Ų135.672%0.71776%0.762SS**  72146.2107.6-132.5-19.1000125.1
783Q28.9Very low30.3Very low164 Ų164128.2 Ų128.277%0.76676%0.755SS**  trans90.8118.5148.2-87.2-157.64.600125.9
784V27.3Very low29.2Very low126 Ų126134.3 Ų134.376%0.76477%0.766SS**  trans44.6128142.6-141.10000122.3
785A26.9Very low29Very low90 Ų90134.3 Ų134.374%0.74476%0.76SS**  156.7129.8105.500000119.2
786A27.7Very low28.8Very low103 Ų103138 Ų13885%0.85177%0.766SS**  trans79.5150.813400000124.7
787A28.8Very low28.6Very low98 Ų98132.3 Ų132.381%0.8176%0.756SS**  trans87.990.3150.400000122
788S30.2Very low28.2Very low115 Ų115136.6 Ų136.680%0.80476%0.764SS**  trans-80.5-176139.1-44.20000109.5
789P50.5Low28Very low104 Ų104135 Ų13568%0.67576%0.764SS**  cis-144.7-166.34.645.9-26.4000116.3
790Q29Very low27.9Very low168 Ų168137 Ų13779%0.78576%0.764SS**  trans68.6156.6155.1-68.3-178-1600118.3
791L27.8Very low27.7Very low122 Ų122137.2 Ų137.264%0.63977%0.767SS**  cis-158.2163.7-15.2-115.6165.6000111.1
792Q27.1Very low27.6Very low179 Ų179138 Ų13884%0.83677%0.769SS**  trans16.8144.1153.4-81.7170.1-22.900122.5
793G24.9Very low27.6Very low68 Ų68138 Ų13870%0.70177%0.769SS**  143.990.211500000121
794Y22.8Very low27.3Very low237 Ų237138.1 Ų138.193%0.92977%0.77SS**  trans66.1168.7144.1-99.7-93.3000121.8
795S26.6Very low27.2Very low96 Ų96135.6 Ų135.667%0.67177%0.769SS**  trans-128.8150-161.755.80000113.6
796Q24.4Very low27Very low179 Ų179136.1 Ų136.184%0.83677%0.768SS**  trans178.1116.1145.7-98.2174.222.600106.9
797S24.5Very low26.8Very low89 Ų89141.5 Ų141.562%0.62277%0.768SS**  39.8114.289.372.60000113.3
798Y22.8Very low26.5Very low224 Ų224142.7 Ų142.788%0.87876%0.761SS**  -156.4168.669.1-129.3-97.3000115.7
799N24.6Very low26.1Very low129 Ų129143.8 Ų143.869%0.6975%0.753SS**  trans-64.7169.8164.4-107.1-58.8000111.4
800Q26.1Very low24.8Very low167 Ų167142.9 Ų142.978%0.7874%0.742SS**  cis-157.2152.723.9-149.6159.762.600113.2
801G24.2Very low24.6Very low72 Ų72142.2 Ų142.274%0.74273%0.734SS**  trans-117.442.3-174.200000116.8
802Y26Very low24.4Very low233 Ų233145.7 Ų145.791%0.91474%0.74SS**  trans64.3157.7173.3-84-92.8000119.2
803N28.1Very low24.4Very low134 Ų134140.1 Ų140.172%0.71772%0.72SS**  trans-151137.2-166.9171.114.7000108.8
804Q23.6Very low24.3Very low167 Ų167140.6 Ų140.678%0.7871%0.713SS**  trans174.4129.1140.1-95.4-59.7-9.500108.8
805G24.3Very low24.4Very low73 Ų73139.7 Ų139.775%0.75371%0.71SS**  trans178.642.5-171.100000116.5
806S22.8Very low24.4Very low102 Ų102140.1 Ų140.171%0.71371%0.713SS**  trans-61.3133175.2-57.30000112.7
807Y23.1Very low24.2Very low216 Ų216138.9 Ų138.985%0.84771%0.707SS**  trans-169.1135.3135.5-111.8-70.7000114.1
808N22.1Very low24.2Very low123 Ų123144.8 Ų144.866%0.65872%0.717SS**  trans33.7129.1150.3-84-14.4000124.5
809Q23.3Very low24.7Very low138 Ų138138.8 Ų138.865%0.64571%0.706SS**  60.7120.9122-53.3-84.1-3.600118.8
810N22.7Very low24.8Very low84 Ų84136.5 Ų136.545%0.44971%0.712SS.*  55.4109.370.1-176.844.3000113.9S813N810-S813 WeakPolarHBondContact OD1-CB 3.17Å; N810-S813 PolarHBondContact OD1-OG 3.36Å
811Y24.9Very low24.7Very low154 Ų154138.3 Ų138.360%0.60471%0.713SS**  trans166.1136.2133.5-96.5-62.4000110.8
812Y24.3Very low25Very low195 Ų195140.5 Ų140.577%0.76572%0.717SS**SBendcis-115.1138.5-7.3-85.4-102.4000108.9
813S26Very low25Very low62 Ų62137.5 Ų137.543%0.43471%0.711SS.*  cis63.986.1-4.1-1630000118.1N810N810-S813 WeakPolarHBondContact OD1-CB 3.17Å; N810-S813 PolarHBondContact OD1-OG 3.36Å
814S23.6Very low24.9Very low78 Ų78135.9 Ų135.955%0.54571%0.71SS.*  trans165.9128.3143.4-82.90000109.2
815Y24.3Very low24.9Very low219 Ų219137.9 Ų137.986%0.85971%0.712SS**SBendcis-133.1159.90.3-98.5-97.5000107.7
816S25.9Very low24.8Very low105 Ų105138.9 Ų138.973%0.73471%0.708SS**  cis-148.1164.9-2.9-158.90000111.3
817Q21.9Very low25.5Very low152 Ų152143.2 Ų143.271%0.7172%0.717SS**  trans-89.4154.9-177.5-56.6176.9-0.900114.1
818Y23.7Very low25.7Very low213 Ų213139.1 Ų139.184%0.83571%0.714SS**  trans63.8165.6132.4-84.7-131.8000119.9
819P32.5Very low26.7Very low99 Ų99139 Ų13964%0.64372%0.72SS**  cis-133.4165.8-37.335.1-19.6000113.7
820G27.7Very low26.8Very low80 Ų80139.4 Ų139.483%0.82573%0.732SS**  trans-78140.2158.700000111.2
821Y23.4Very low26.9Very low206 Ų206141.7 Ų141.781%0.80875%0.75SS**  trans-114118.7170.8-137.6-86.8000108.6Q823Y821-Q823 HydrophobicContact CD1-CG 4.41Å; Y821-Q823 HydrophobicContact CE1-CG 4.46Å
822S31.7Very low27.3Very low117 Ų117139.6 Ų139.682%0.81876%0.755SS**  trans-98117.6173.254.20000109.9
823Q25Very low27.3Very low170 Ų170138.7 Ų138.779%0.79476%0.758SS**  trans-131.8131.7160.4-84.7-167.4-17.300109.9Y821Y821-Q823 HydrophobicContact CD1-CG 4.41Å; Y821-Q823 HydrophobicContact CE1-CG 4.46Å
824S26Very low27.4Very low100 Ų100141.2 Ų141.270%0.69977%0.77SS**  trans-81.1146.2162.443.40000109.6
825Y23Very low27.5Very low210 Ų210148.3 Ų148.382%0.82479%0.787SS**  -178.2162.8110.3-115.8-89.8000113.3
826S24.1Very low27.6Very low94 Ų94144.2 Ų144.266%0.65778%0.78SS**  trans54.3109.6155.257.30000119.6
827Q37.4Very low27.7Very low193 Ų193148.1 Ų148.190%0.90279%0.786SS**  trans-63.2144.3137.3-60.1175.5500109.5
828T25.8Very low27.8Very low129 Ų129149.4 Ų149.479%0.79179%0.792SS**  trans-142.9147.3148.142.30000109.1
829P43.7Very low28.9Very low120 Ų120144.2 Ų144.278%0.77978%0.784SS**  trans-93.7157.6-170.136.5-35.8000113.3
830T24.4Very low28.6Very low147 Ų147147.4 Ų147.490%0.90279%0.793SS**  trans-135.4149.8155.8310000110.7
831T26.7Very low28.5Very low133 Ų133151.4 Ų151.482%0.81679%0.794SS**  trans-97.9162.2-162.733.10000113.6
832P32.3Very low28.6Very low109 Ų109145 Ų14571%0.70879%0.792SS**  trans-74155.1-174.730.3-36.6000113.6
833Q25.1Very low28.4Very low177 Ų177148.3 Ų148.383%0.82780%0.799SS**  trans-114.9116.6162.2-84.7-71.3-77.200109.5
834T27.6Very low28.5Very low114 Ų114146.2 Ų146.270%0.69979%0.793SS**  trans-93147.5173.541.40000110.5
835Y24.8Very low28.5Very low227 Ų227149.6 Ų149.689%0.8980%0.802SS**  trans-144.1136.6154.2-110.3-80.6000110.4
836N26.4Very low28.7Very low133 Ų133147.5 Ų147.571%0.71180%0.8SS**  trans-88.2152.7-176-76.9-32.5000111.8
837H27.9Very low28.9Very low188 Ų188149 Ų14987%0.8781%0.805SS**  -173.4147.499.3-100.7-79000114.2
838Q25.5Very low28.5Very low178 Ų178147.6 Ų147.683%0.83280%0.803SS**  trans-92.9179.1173.8-95.5-177.3-16.600111.3
839P45.3Very low28.7Very low104 Ų104150.4 Ų150.468%0.67580%0.804SS**  cis-134.9177.5-27.935.4-18.8000113.1
840M26.1Very low28Very low167 Ų167148.8 Ų148.882%0.82380%0.795SS**  trans-173127.7133-102.3-59.1178.800113.3
841L27.3Very low28.3Very low163 Ų163148.5 Ų148.585%0.85379%0.788SS**  trans11.7102.1158.5-57.5172.8000121.1
842G25.1Very low28.6Very low73 Ų73146.3 Ų146.375%0.75378%0.778SS**  84.199.994.200000120.9
843L26.5Very low28.6Very low185 Ų185148.5 Ų148.597%0.96978%0.777SS**  -158.3147.8125.8-109.6169.9000108.7
844N27.4Very low29Very low127 Ų127145.4 Ų145.468%0.67977%0.765SS**  trans-137.2127.3-162.4-157-7.5000112.3H846N844-H846 PolarHBondContact OD1-CD2 2.9Å
845L25.3Very low29.4Very low170 Ų170144.4 Ų144.489%0.8976%0.761SS**  trans-148.999.6170.7-156.280.4000109.3
846H27.7Very low29.8Very low166 Ų166143.1 Ų143.177%0.76976%0.755SS**PPolyproline II helixtrans-88.9122.9-174.8-109.5-84.3000112N844N844-H846 PolarHBondContact OD1-CD2 2.9Å
847V28Very low30.2Very low125 Ų125142 Ų14276%0.75874%0.743SS**PPolyproline II helixtrans-95.4127.1165.9177.90000108.8
848L28.6Very low30.4Very low165 Ų165139.3 Ų139.386%0.86473%0.73SS**PPolyproline II helixtrans-84131.9172.3-75.5165.8000110.3
849K30.2Very low30.9Very low188 Ų188137.8 Ų137.882%0.81772%0.722SS**PPolyproline II helixtrans-90.2152.2166.4-69.5-176.9177-178.60110
850S29Very low30.5Very low85 Ų85136.3 Ų136.359%0.59470%0.704SS**  trans-132.4116.5173.448.40000110.6S852S850-S852 PolarHBondContact O-N 3.43Å
851D31.6Very low31Very low142 Ų142129.2 Ų129.276%0.75967%0.672SS**THydrogen-bonded Turntrans-78.820.6-169.6-67.7-55.7000115
852S33.8Very low31.4Very low86 Ų86126.6 Ų126.660%0.60166%0.655SS**THydrogen-bonded Turntrans-84.5-5.8177.957.50000114.4S850S850-S852 PolarHBondContact O-N 3.43Å
853F32.3Very low32.1Very low155 Ų155125.2 Ų125.268%0.6863%0.629SS**Hα-helixtrans-80.6-37-172.8-120.3-95.2000114.6R856 F857F853-R856 PolarHBondContact O-N 3.22Å; F853-F857 WeakPolarHBondContact O-CB 3.33Å; F853-F857 PolarHBondContact O-N 3.1Å
854L32.4Very low32.8Very low112 Ų112118.7 Ų118.759%0.58659%0.592SS**Hα-helixtrans-60.1-43.8-169.3-80.1163.3000114.7F857 F858L854-F857 PolarHBondContact O-N 3.49Å; L854-F858 PolarHBondContact O-N 3.43Å; L854-F858 VanDerWaalsContact O-N 3.09Å
855P35.5Very low33.5Very low93 Ų93116.6 Ų116.660%0.60458%0.578SS**Hα-helixtrans-65.6-40.8178.6-22.234.6000112.9F858 Q859P855-F858 PolarHBondContact O-N 3.23Å; P855-Q859 PolarHBondContact O-N 2.43Å
856R34.6Very low34.1Very low201 Ų201113.9 Ų113.976%0.75856%0.561SS**Hα-helixtrans-65.4-42.5176.1-83-174.3169.6-173.5-1.8111.7F853 F858 Q859 Y860F853-R856 PolarHBondContact O-N 3.22Å; R856-F858 PolarHBondContact O-N 3.05Å; R856-Q859 PolarHBondContact O-N 3.5Å; R856-Y860 WeakPolarHBondContact O-CB 3.48Å; R856-Y860 PolarHBondContact O-N 3.15Å
857F34.3Very low34.9Very low109 Ų109108.4 Ų108.448%0.47853%0.534SS..Hα-helixtrans-59.7-45.5177.2-178.5-98.1000111.8F853 L854 Q859 Y860 A861F853-F857 WeakPolarHBondContact O-CB 3.33Å; F853-F857 PolarHBondContact O-N 3.1Å; L854-F857 PolarHBondContact O-N 3.49Å; F857-Q859 PolarHBondContact O-N 3.38Å; F857-Y860 PolarHBondContact O-N 2.85Å; F857-A861 VanDerWaalsContact O-CB 3.24Å; F857-A861 WeakPolarHBondContact O-CB 3.21Å; F857-A861 PolarHBondContact O-N 2.95Å
858F31.7Very low35.8Very low132 Ų132103 Ų10358%0.57950%0.5SS*.Hα-helixtrans-62.4-41.2177.2-101.9-86000113.2L854 P855 R856 Q862L854-F858 PolarHBondContact O-N 3.43Å; L854-F858 VanDerWaalsContact O-N 3.09Å; P855-F858 PolarHBondContact O-N 3.23Å; R856-F858 PolarHBondContact O-N 3.05Å; F858-Q862 PolarHBondContact O-N 3.41Å
859Q36.4Very low36.4Very low146 Ų14699.2 Ų99.268%0.68248%0.477SS*.Hα-helixtrans-66.4-45.1177.8-164.9170.929.800111.5P855 R856 F857 Q862 Q863P855-Q859 PolarHBondContact O-N 2.43Å; R856-Q859 PolarHBondContact O-N 3.5Å; F857-Q859 PolarHBondContact O-N 3.38Å; Q859-Q862 PolarHBondContact O-N 3.49Å; Q859-Q863 WeakPolarHBondContact O-CB 3.36Å; Q859-Q863 PolarHBondContact O-N 3.33Å; Q859-Q863 VanDerWaalsContact O-N 3.15Å
860Y37.2Very low37Very low72 Ų7293.3 Ų93.328%0.28246%0.455SS..Hα-helixtrans-70.3-30.9179.6-160.6-101.9000113.3D635 P637 R856 F857 Q863 W864D635-Y860 HydrophobicContact CB-CE1 4.04Å; D635-Y860 PolarHBondContact O-OH 3.45Å; P637-Y860 HydrophobicContact CG-CD1 3.99Å; P637-Y860 HydrophobicContact CG-CE1 4.17Å; R856-Y860 WeakPolarHBondContact O-CB 3.48Å; R856-Y860 PolarHBondContact O-N 3.15Å; F857-Y860 PolarHBondContact O-N 2.85Å; Y860-Q863 WeakPolarHBondContact O-CB 3.46Å; Y860-Q863 PolarHBondContact O-N 3.49Å; Y860-W864 AromaticContact CD1-CD1 4Å; Y860-W864 AromaticContact CE1-CD1 3.65Å; Y860-W864 AromaticContact CE1-NE1 3.33Å; Y860-W864 VanDerWaalsContact CE1-NE1 3.33Å; Y860-W864 AromaticContact CZ-CD1 3.97Å; Y860-W864 AromaticContact CZ-NE1 3.34Å; Y860-W864 VanDerWaalsContact CZ-NE1 3.34Å; Y860-W864 PolarHBondContact O-N 2.77Å; Y860-W864 PolarHBondContact OH-NE1 3.18Å
861A36.5Very low37.7Very low18 Ų1892.7 Ų92.715%0.14944%0.443CS..Hα-helixtrans-66-47.4173.500000111.5H639 F857 Q863 Q865H639-A861 VanDerWaalsContact NE2-C 3.28Å; H639-A861 PolarHBondContact NE2-O 2.81Å; F857-A861 VanDerWaalsContact O-CB 3.24Å; F857-A861 WeakPolarHBondContact O-CB 3.21Å; F857-A861 PolarHBondContact O-N 2.95Å; A861-Q863 VanDerWaalsContact C-N 3.28Å; A861-Q863 PolarHBondContact O-N 3.41Å; A861-Q865 WeakPolarHBondContact O-CB 3.35Å; A861-Q865 PolarHBondContact O-N 2.83Å
862Q34.9Very low37.9Very low108 Ų10888.6 Ų88.651%0.50542%0.421SS..Hα-helixtrans-61.2-37.6176-71.2-173.924.700112.3F858 Q859 W864 Q865 Q866F858-Q862 PolarHBondContact O-N 3.41Å; Q859-Q862 PolarHBondContact O-N 3.49Å; Q862-W864 PolarHBondContact O-N 3.46Å; Q862-Q865 WeakPolarHBondContact O-CB 3.46Å; Q862-Q865 PolarHBondContact O-N 2.93Å; Q862-Q866 WeakPolarHBondContact O-CG 3.32Å; Q862-Q866 PolarHBondContact O-N 3.29Å
863Q39.9Very low38Very low45 Ų4589.6 Ų89.621%0.2142%0.416CS..Hα-helixtrans-54.1-53.9-180-168.6174.70.100112.3D561 Q859 Y860 A861 Q866 Y867D561-Q863 VanDerWaalsContact CG-CG 3.45Å; D561-Q863 VanDerWaalsContact OD1-CD 3.31Å; D561-Q863 WeakPolarHBondContact OD1-CG 3.19Å; D561-Q863 PolarHBondContact OD1-NE2 2.95Å; D561-Q863 PolarHBondContact OD2-NE2 3.42Å; Q859-Q863 WeakPolarHBondContact O-CB 3.36Å; Q859-Q863 PolarHBondContact O-N 3.33Å; Q859-Q863 VanDerWaalsContact O-N 3.15Å; Y860-Q863 WeakPolarHBondContact O-CB 3.46Å; Y860-Q863 PolarHBondContact O-N 3.49Å; A861-Q863 VanDerWaalsContact C-N 3.28Å; A861-Q863 PolarHBondContact O-N 3.41Å; Q863-Q866 PolarHBondContact O-N 3.49Å; Q863-Y867 PolarHBondContact O-N 2.9Å
864W42.2Very low38.2Very low47 Ų4789 Ų8918%0.17841%0.409CS..Hα-helixtrans-74.1-30.9176.1-75.695.2000113.4D635 V636 P637 Y860 Q862 Q866 Y867 Y868D635-W864 VanDerWaalsContact O-CZ2 3.24Å; D635-W864 WeakPolarHBondContact O-CZ2 3.31Å; D635-W864 PolarHBondContact O-NE1 3.28Å; V636-W864 HydrophobicContact CG1-CE3 4.4Å; V636-W864 HydrophobicContact CG1-CH2 4.4Å; V636-W864 HydrophobicContact CG1-CZ3 4.22Å; V636-W864 HydrophobicContact CG2-CH2 3.9Å; V636-W864 HydrophobicContact CG2-CZ2 4.09Å; V636-W864 HydrophobicContact CG2-CZ3 4.49Å; P637-W864 HydrophobicContact CB-CB 4.46Å; P637-W864 HydrophobicContact CG-CB 3.82Å; P637-W864 VanDerWaalsContact CG-CD1 3.45Å; P637-W864 HydrophobicContact CG-CG 3.76Å; Y860-W864 AromaticContact CD1-CD1 4Å; Y860-W864 AromaticContact CE1-CD1 3.65Å; Y860-W864 AromaticContact CE1-NE1 3.33Å; Y860-W864 VanDerWaalsContact CE1-NE1 3.33Å; Y860-W864 AromaticContact CZ-CD1 3.97Å; Y860-W864 AromaticContact CZ-NE1 3.34Å; Y860-W864 VanDerWaalsContact CZ-NE1 3.34Å; Y860-W864 PolarHBondContact O-N 2.77Å; Y860-W864 PolarHBondContact OH-NE1 3.18Å; Q862-W864 PolarHBondContact O-N 3.46Å; W864-Q866 PolarHBondContact O-N 3.48Å; W864-Y867 AromaticContact CE3-CD1 3.75Å; W864-Y867 HydrophobicContact CE3-CD1 3.75Å; W864-Y867 HydrophobicContact CE3-CE1 4.34Å; W864-Y867 HydrophobicContact CE3-CG 4.43Å; W864-Y867 AromaticContact CZ3-CD1 3.91Å; W864-Y867 HydrophobicContact CZ3-CD1 3.91Å; W864-Y867 HydrophobicContact CZ3-CE1 4.04Å; W864-Y867 WeakPolarHBondContact O-CB 3.48Å; W864-Y867 PolarHBondContact O-N 3.29Å; W864-Y867 VanDerWaalsContact O-N 3.1Å; W864-Y868 HydrophobicContact CD2-CE2 4.48Å; W864-Y868 HydrophobicContact CE3-CD2 4.33Å; W864-Y868 AromaticContact CE3-CE2 3.49Å; W864-Y868 HydrophobicContact CE3-CE2 3.49Å; W864-Y868 VanDerWaalsContact CE3-CE2 3.49Å; W864-Y868 AromaticContact CE3-CZ 3.94Å; W864-Y868 HydrophobicContact CZ3-CE2 4.03Å; W864-Y868 VanDerWaalsContact O-CD2 3.26Å; W864-Y868 WeakPolarHBondContact O-CD2 3.49Å; W864-Y868 PolarHBondContact O-N 3.3Å
865Q41.2Very low38.6Very low84 Ų8488.5 Ų88.539%0.39341%0.407SS..Hα-helixtrans-59.6-38.7173.9-161166.867.100110.7H639 A861 Q862 Q869H639-Q865 PolarHBondContact NE2-N 2.7Å; A861-Q865 WeakPolarHBondContact O-CB 3.35Å; A861-Q865 PolarHBondContact O-N 2.83Å; Q862-Q865 WeakPolarHBondContact O-CB 3.46Å; Q862-Q865 PolarHBondContact O-N 2.93Å; Q865-Q869 WeakPolarHBondContact O-CB 3.36Å; Q865-Q869 WeakPolarHBondContact O-CG 3.33Å; Q865-Q869 PolarHBondContact O-N 3.19Å
866Q39.1Very low38.3Very low113 Ų11391.2 Ų91.253%0.52841%0.412SS..Hα-helixtrans-69.8-36.7171.9-69.8-174.62200113.3Q862 Q863 W864 Y868 N870Q862-Q866 WeakPolarHBondContact O-CG 3.32Å; Q862-Q866 PolarHBondContact O-N 3.29Å; Q863-Q866 PolarHBondContact O-N 3.49Å; W864-Q866 PolarHBondContact O-N 3.48Å; Q866-Y868 PolarHBondContact O-N 2.93Å; Q866-N870 WeakPolarHBondContact O-CB 3.32Å; Q866-N870 PolarHBondContact O-N 3.46Å; Q866-N870 PolarHBondContact O-ND2 3.19Å
867Y43.1Very low38Very low51 Ų5188.2 Ų88.220%0.240%0.401CS..Hα-helixtrans-60.4-44.2175.5173.8-109.3000112.1I564 Q863 W864 Q871I564-Y867 HydrophobicContact CG2-CD2 3.5Å; I564-Y867 VanDerWaalsContact CG2-CD2 3.5Å; I564-Y867 HydrophobicContact CG2-CE2 3.42Å; I564-Y867 VanDerWaalsContact CG2-CE2 3.42Å; Q863-Y867 PolarHBondContact O-N 2.9Å; W864-Y867 AromaticContact CE3-CD1 3.75Å; W864-Y867 HydrophobicContact CE3-CD1 3.75Å; W864-Y867 HydrophobicContact CE3-CE1 4.34Å; W864-Y867 HydrophobicContact CE3-CG 4.43Å; W864-Y867 AromaticContact CZ3-CD1 3.91Å; W864-Y867 HydrophobicContact CZ3-CD1 3.91Å; W864-Y867 HydrophobicContact CZ3-CE1 4.04Å; W864-Y867 WeakPolarHBondContact O-CB 3.48Å; W864-Y867 PolarHBondContact O-N 3.29Å; W864-Y867 VanDerWaalsContact O-N 3.1Å; Y867-Q871 PolarHBondContact O-N 3.48Å
868Y47.9Very low38Very low12 Ų1291.3 Ų91.35%0.04741%0.411CS..Hα-helixtrans-81.5-34.5178.8-65.4-62.3000113.3V636 A640 M644 W864 Q866 N870 Q871 N872V636-Y868 HydrophobicContact CG1-CE2 4.42Å; A640-Y868 HydrophobicContact CB-CD2 3.22Å; A640-Y868 HydrophobicContact CB-CE2 3.36Å; A640-Y868 HydrophobicContact CB-CG 4.11Å; M644-Y868 HydrophobicContact CE-CD1 3.64Å; M644-Y868 HydrophobicContact CE-CE1 3.08Å; W864-Y868 HydrophobicContact CD2-CE2 4.48Å; W864-Y868 HydrophobicContact CE3-CD2 4.33Å; W864-Y868 AromaticContact CE3-CE2 3.49Å; W864-Y868 HydrophobicContact CE3-CE2 3.49Å; W864-Y868 VanDerWaalsContact CE3-CE2 3.49Å; W864-Y868 AromaticContact CE3-CZ 3.94Å; W864-Y868 HydrophobicContact CZ3-CE2 4.03Å; W864-Y868 VanDerWaalsContact O-CD2 3.26Å; W864-Y868 WeakPolarHBondContact O-CD2 3.49Å; W864-Y868 PolarHBondContact O-N 3.3Å; Q866-Y868 PolarHBondContact O-N 2.93Å; Y868-N870 VanDerWaalsContact C-N 3.26Å; Y868-N870 PolarHBondContact O-N 3.08Å; Y868-Q871 WeakPolarHBondContact O-CB 3.47Å; Y868-Q871 PolarHBondContact O-N 3.09Å; Y868-N872 PolarHBondContact O-N 2.99Å; Y868-N872 VanDerWaalsContact O-N 3.16Å
869Q41.4Very low38.1Very low84 Ų8489.4 Ų89.439%0.39341%0.414SS..Hα-helixtrans-60.5-34.5167.7-77-179.411.200112.1Q865 Q871 N872 Q873Q865-Q869 WeakPolarHBondContact O-CB 3.36Å; Q865-Q869 WeakPolarHBondContact O-CG 3.33Å; Q865-Q869 PolarHBondContact O-N 3.19Å; Q869-Q871 VanDerWaalsContact C-N 3.3Å; Q869-Q871 PolarHBondContact O-N 3.31Å; Q869-N872 CarbonylContact O-C 3.5Å; Q869-N872 WeakPolarHBondContact O-CA 3.24Å; Q869-N872 PolarHBondContact O-N 3.34Å; Q869-Q873 WeakPolarHBondContact O-CG 3.47Å; Q869-Q873 PolarHBondContact O-N 3.24Å
870N42Very low37.8Very low64 Ų6490.5 Ų90.534%0.34242%0.419SS..Hα-helixtrans-66.1-29.2172.8-89.3-75.3000113.1Q866 Y868 N872Q866-N870 WeakPolarHBondContact O-CB 3.32Å; Q866-N870 PolarHBondContact O-N 3.46Å; Q866-N870 PolarHBondContact O-ND2 3.19Å; Y868-N870 VanDerWaalsContact C-N 3.26Å; Y868-N870 PolarHBondContact O-N 3.08Å; N870-N872 VanDerWaalsContact C-N 3.26Å; N870-N872 PolarHBondContact O-N 2.76Å
871Q43.1Very low37.4Very low73 Ų7396.2 Ų96.234%0.34144%0.442SS..Hα-helixtrans-69.7-25.5168.6-61.7-166.82200112.4Y867 Y868 Q869 N875Y867-Q871 PolarHBondContact O-N 3.48Å; Y868-Q871 WeakPolarHBondContact O-CB 3.47Å; Y868-Q871 PolarHBondContact O-N 3.09Å; Q869-Q871 VanDerWaalsContact C-N 3.3Å; Q869-Q871 PolarHBondContact O-N 3.31Å; Q871-N875 PolarHBondContact O-ND2 2.93Å
872N37.1Very low37Very low55 Ų5599 Ų9929%0.29447%0.472SS..Hα-helixtrans-93.9-36.8-176.8-76.6-28.6000114.9E643 Y868 Q869 N870 W874 N875E643-N872 PolarHBondContact OE1-ND2 3.21Å; Y868-N872 PolarHBondContact O-N 2.99Å; Y868-N872 VanDerWaalsContact O-N 3.16Å; Q869-N872 CarbonylContact O-C 3.5Å; Q869-N872 WeakPolarHBondContact O-CA 3.24Å; Q869-N872 PolarHBondContact O-N 3.34Å; N870-N872 VanDerWaalsContact C-N 3.26Å; N870-N872 PolarHBondContact O-N 2.76Å; N872-W874 VanDerWaalsContact C-N 3.29Å; N872-W874 PolarHBondContact O-N 2.91Å; N872-N875 VanDerWaalsContact O-CB 3.28Å; N872-N875 WeakPolarHBondContact O-CB 3.46Å; N872-N875 PolarHBondContact O-N 2.91Å; N872-N875 PolarHBondContact O-ND2 2.82Å
873Q35.2Very low36.8Very low108 Ų10896.7 Ų96.751%0.50548%0.478SS..Hα-helixtrans-62.8-34.9-177.9-75.5-178.213.400112.1Q869 N875 Q876 Y877Q869-Q873 WeakPolarHBondContact O-CG 3.47Å; Q869-Q873 PolarHBondContact O-N 3.24Å; Q873-N875 PolarHBondContact O-N 2.74Å; Q873-Q876 WeakPolarHBondContact O-CB 3.45Å; Q873-Q876 PolarHBondContact O-N 3.23Å; Q873-Y877 PolarHBondContact O-N 3.05Å; Q873-Y877 VanDerWaalsContact O-N 3.08Å
874W37.2Very low36.2Very low143 Ų143105.8 Ų105.854%0.54251%0.512SS..Hα-helixtrans-64.9-19.9173.9-80.9101.3000114.2N872 Q876 Y877 Y878N872-W874 VanDerWaalsContact C-N 3.29Å; N872-W874 PolarHBondContact O-N 2.91Å; W874-Q876 VanDerWaalsContact C-N 3.27Å; W874-Y877 HydrophobicContact CE3-CD1 4.09Å; W874-Y877 HydrophobicContact CE3-CG 4.44Å; W874-Y877 HydrophobicContact CH2-CD1 4.3Å; W874-Y877 HydrophobicContact CH2-CE1 4.48Å; W874-Y877 AromaticContact CZ3-CD1 3.59Å; W874-Y877 HydrophobicContact CZ3-CD1 3.59Å; W874-Y877 HydrophobicContact CZ3-CE1 4.1Å; W874-Y877 HydrophobicContact CZ3-CG 4.27Å; W874-Y878 AromaticContact CE3-CD2 3.94Å; W874-Y878 HydrophobicContact CE3-CD2 3.94Å; W874-Y878 AromaticContact CE3-CE2 3.97Å; W874-Y878 HydrophobicContact CE3-CE2 3.97Å; W874-Y878 HydrophobicContact CZ3-CD2 4.1Å; W874-Y878 AromaticContact CZ3-CE2 3.73Å; W874-Y878 HydrophobicContact CZ3-CE2 3.73Å
875N40.4Very low35.7Very low101 Ų101109.4 Ų109.454%0.5454%0.542SS..Hα-helixtrans-71.3-23.1169.7-60.5-48.4000112.1Q871 N872 Q873Q871-N875 PolarHBondContact O-ND2 2.93Å; N872-N875 VanDerWaalsContact O-CB 3.28Å; N872-N875 WeakPolarHBondContact O-CB 3.46Å; N872-N875 PolarHBondContact O-N 2.91Å; N872-N875 PolarHBondContact O-ND2 2.82Å; Q873-N875 PolarHBondContact O-N 2.74Å
876Q29.9Very low34.9Very low150 Ų150109.2 Ų109.270%0.70156%0.562SS**Hα-helixtrans-90.2-43.7177.2-59.6-170.11000111.8Q873 W874 Y878 S879Q873-Q876 WeakPolarHBondContact O-CB 3.45Å; Q873-Q876 PolarHBondContact O-N 3.23Å; W874-Q876 VanDerWaalsContact C-N 3.27Å; Q876-Y878 PolarHBondContact O-N 2.77Å; Q876-S879 WeakPolarHBondContact O-CA 3.38Å; Q876-S879 WeakPolarHBondContact O-CB 3.02Å; Q876-S879 PolarHBondContact O-N 2.75Å
877Y28.2Very low34.4Very low137 Ų137113.5 Ų113.554%0.53758%0.582SS.*Hα-helixtrans-55.9-44.8-176-167.1-96.1000113.1Q873 W874 S879Q873-Y877 PolarHBondContact O-N 3.05Å; Q873-Y877 VanDerWaalsContact O-N 3.08Å; W874-Y877 HydrophobicContact CE3-CD1 4.09Å; W874-Y877 HydrophobicContact CE3-CG 4.44Å; W874-Y877 HydrophobicContact CH2-CD1 4.3Å; W874-Y877 HydrophobicContact CH2-CE1 4.48Å; W874-Y877 AromaticContact CZ3-CD1 3.59Å; W874-Y877 HydrophobicContact CZ3-CD1 3.59Å; W874-Y877 HydrophobicContact CZ3-CE1 4.1Å; W874-Y877 HydrophobicContact CZ3-CG 4.27Å; Y877-S879 VanDerWaalsContact C-N 3.33Å; Y877-S879 PolarHBondContact O-N 3.47Å
878Y34.4Very low33.7Very low174 Ų174114.8 Ų114.868%0.68261%0.61SS**THydrogen-bonded Turntrans-77.9-12.2175.4-91.6-73.8000114.8W874 Q876 Q880W874-Y878 AromaticContact CE3-CD2 3.94Å; W874-Y878 HydrophobicContact CE3-CD2 3.94Å; W874-Y878 AromaticContact CE3-CE2 3.97Å; W874-Y878 HydrophobicContact CE3-CE2 3.97Å; W874-Y878 HydrophobicContact CZ3-CD2 4.1Å; W874-Y878 AromaticContact CZ3-CE2 3.73Å; W874-Y878 HydrophobicContact CZ3-CE2 3.73Å; Q876-Y878 PolarHBondContact O-N 2.77Å; Y878-Q880 VanDerWaalsContact C-N 3.28Å; Y878-Q880 PolarHBondContact O-N 2.91Å
879S33.7Very low32.7Very low93 Ų93120.1 Ų120.165%0.6565%0.65SS**THydrogen-bonded Turntrans-77.2-13.8175.4-168.60000113Q876 Y877Q876-S879 WeakPolarHBondContact O-CA 3.38Å; Q876-S879 WeakPolarHBondContact O-CB 3.02Å; Q876-S879 PolarHBondContact O-N 2.75Å; Y877-S879 VanDerWaalsContact C-N 3.33Å; Y877-S879 PolarHBondContact O-N 3.47Å
880Q29.3Very low32.1Very low168 Ų168125.4 Ų125.479%0.78567%0.674SS**THydrogen-bonded Turntrans-89.5-20.1-174-162.1167.31000114Y878 G882Y878-Q880 VanDerWaalsContact C-N 3.28Å; Y878-Q880 PolarHBondContact O-N 2.91Å; Q880-G882 PolarHBondContact O-N 2.92Å
881Y28.5Very low31.4Very low192 Ų192125.7 Ų125.775%0.75369%0.692SS**THydrogen-bonded Turntrans-80.98.6176.6-88.2-84.6000114.4G883Y881-G883 PolarHBondContact O-N 2.77Å
882G29.5Very low30.8Very low76 Ų76128.7 Ų128.778%0.78472%0.721SS**  trans-85.818.9-173.400000116.9Q880Q880-G882 PolarHBondContact O-N 2.92Å
883G29.1Very low30.2Very low61 Ų61131.8 Ų131.863%0.62975%0.747SS**  trans-153.9106.1-172.300000116.6Y881Y881-G883 PolarHBondContact O-N 2.77Å
884Y27.9Very low30Very low235 Ų235132.4 Ų132.492%0.92276%0.764SS**  trans-132.8138.1154.2-99.8-91.8000109.1
885P30.9Very low29.4Very low124 Ų124129.3 Ų129.381%0.80578%0.776SS**  trans-81.1143.8-173.632.2-35.3000112.7
886G25.1Very low28.9Very low80 Ų80130.4 Ų130.483%0.82579%0.792SS**  trans-94130.6179.800000114.6
887Q29.5Very low28.9Very low203 Ų203135.9 Ų135.995%0.94982%0.817SS**  trans-137.6149154-68.9-175.9-8.900106.9
888G27.9Very low28.9Very low77 Ų77135.9 Ų135.979%0.79483%0.831SS**  cis-173.9140.1-7.600000107.8
889S27.4Very low28.7Very low125 Ų125133.8 Ų133.887%0.87484%0.839SS**  trans-91.6120.9-163.7-171.70000114.9
890Q27.8Very low28.4Very low194 Ų194136.1 Ų136.191%0.90785%0.85SS**  trans-149.1151.5147.6-62.5-169.60.500107
891G27.6Very low28.3Very low70 Ų70134.2 Ų134.272%0.72285%0.854SS**  cis175.7133.6-7.400000108
892S29.5Very low28.3Very low136 Ų136130.6 Ų130.695%0.95186%0.86SS**  trans-85.1133.9-169.6-540000113.7
893S26.1Very low28.2Very low120 Ų120134.3 Ų134.384%0.83987%0.865SS**  trans-145.7140.7159.859.90000112.7
894S29.2Very low28.2Very low122 Ų122139.5 Ų139.585%0.85388%0.882SS**  trans-59.1151.9176.350.80000115
895G25.9Very low28.2Very low78 Ų78132.2 Ų132.280%0.80488%0.879SS**  trans-177.5110.516300000114.3
896S28.8Very low28Very low123 Ų123132.8 Ų132.886%0.8689%0.885SS**  trans-63.2132.6179.6-38.60000114.3
897Q30.9Very low28.2Very low266 Ų266137.6 Ų137.6100%1.24389%0.89SS**  -165.90107.5-104.8-177.2-7.500111.4

Retrieved 897 of 897 residues in 1558.1 ms (Link to these results)

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