A0A087XDF2_POEFO Loading...

DnaJ heat shock protein family (Hsp40) member B1b

AlphaFold DB , UniProt , Accession A0A087XDF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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
1M53.8Low82.3Confident237 Ų23762.9 Ų62.9100%1.16736%0.355SS*.  0123.20-84.3177.3171.900106.5
2G69.1Low82.8Confident39 Ų3972.9 Ų72.940%0.40239%0.392SS..  trans-64.6155.7176.300000111.7E69G2-E69 WeakPolarHBondContact CA-OE2 3.45Å
3K79.3Confident82.9Confident70 Ų7078.3 Ų78.330%0.30441%0.409SS..  trans-64.7133.6176.3-63.3-173.6-174-165.40110.3Y5 I8 E47 Y64 E69K3-Y5 HydrophobicContact CB-CE1 4.35Å; K3-Y5 PolarHBondContact O-N 2.85Å; K3-I8 HydrophobicContact CB-CD1 3.97Å; K3-I8 HydrophobicContact CD-CD1 4.37Å; K3-E47 IonicContact NZ-OE1 3.76Å; K3-E47 PolarHBondContact NZ-OE1 2.99Å; K3-Y64 PolarHBondContact O-OH 2.6Å; K3-E69 PolarHBondContact N-OE2 2.84Å
4D87.4Confident82.8Confident63 Ų6377.4 Ų77.434%0.33743%0.429SS..  trans-87.6101.2170.1-166.2-34.1000110Y6 E7 I8 Y64D4-Y6 PolarHBondContact O-N 2.79Å; D4-Y6 WeakPolarHBondContact OD1-CA 3.38Å; D4-Y6 VanDerWaalsContact OD1-CB 3.31Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.43Å; D4-Y6 PolarHBondContact OD1-N 3.11Å; D4-E7 HydrophobicContact CB-CB 3.95Å; D4-E7 HydrophobicContact CB-CG 3.91Å; D4-E7 PolarHBondContact O-N 3.4Å; D4-E7 PolarHBondContact OD1-N 3.41Å; D4-E7 VanDerWaalsContact OD1-N 3.13Å; D4-I8 WeakPolarHBondContact O-CD1 3.31Å; D4-I8 VanDerWaalsContact O-CG1 3.26Å; D4-I8 WeakPolarHBondContact O-CG1 3.09Å; D4-I8 PolarHBondContact O-N 3.26Å; D4-Y64 VanDerWaalsContact CA-OH 3.26Å; D4-Y64 WeakPolarHBondContact CA-OH 3.48Å
5Y87.6Confident83Confident0 Ų073.3 Ų73.30%041%0.409CS..Hα-helixtrans-66.9-24.9-179.9-66.1-44.3000112.5K3 I8 L9 E50 A51 V54 Y64 L72K3-Y5 HydrophobicContact CB-CE1 4.35Å; K3-Y5 PolarHBondContact O-N 2.85Å; Y5-I8 HydrophobicContact CD1-CD1 3.99Å; Y5-L9 WeakPolarHBondContact O-CG 3.29Å; Y5-L9 PolarHBondContact O-N 3.48Å; Y5-E50 HydrophobicContact CE1-CB 4.44Å; Y5-E50 HydrophobicContact CE1-CG 3.91Å; Y5-E50 PolarHBondContact OH-OE1 3.23Å; Y5-A51 HydrophobicContact CD1-CB 3.62Å; Y5-A51 HydrophobicContact CG-CB 3.98Å; Y5-V54 HydrophobicContact CD2-CB 4.08Å; Y5-V54 HydrophobicContact CD2-CG1 3.83Å; Y5-V54 HydrophobicContact CD2-CG2 4.4Å; Y5-V54 HydrophobicContact CE2-CB 4.01Å; Y5-V54 HydrophobicContact CE2-CG1 3.86Å; Y5-V54 HydrophobicContact CE2-CG2 3.83Å; Y5-Y64 HydrophobicContact CD2-CD1 4.15Å; Y5-Y64 AromaticContact CD2-CD2 3.52Å; Y5-Y64 HydrophobicContact CD2-CD2 3.52Å; Y5-Y64 AromaticContact CD2-CE1 3.84Å; Y5-Y64 HydrophobicContact CD2-CE1 3.84Å; Y5-Y64 AromaticContact CD2-CE2 3.16Å; Y5-Y64 HydrophobicContact CD2-CE2 3.16Å; Y5-Y64 AromaticContact CD2-CG 4Å; Y5-Y64 HydrophobicContact CD2-CG 4Å; Y5-Y64 AromaticContact CD2-CZ 3.34Å; Y5-Y64 AromaticContact CE2-CD2 3.65Å; Y5-Y64 HydrophobicContact CE2-CD2 3.65Å; Y5-Y64 AromaticContact CE2-CE2 3.46Å; Y5-Y64 HydrophobicContact CE2-CE2 3.46Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.46Å; Y5-Y64 HydrophobicContact CE2-CG 4.44Å; Y5-Y64 HydrophobicContact CG-CE1 4.38Å; Y5-Y64 HydrophobicContact CG-CE2 4.08Å; Y5-Y64 AromaticContact CG-CZ 3.89Å; Y5-Y64 PolarHBondContact N-OH 3.34Å; Y5-L72 HydrophobicContact CE2-CD1 3.82Å
6Y88.1Confident83.2Confident6 Ų672.1 Ų72.12%0.02441%0.407CS..Hα-helixtrans-72.1-42.7173.8-66-80.6000110.5D4 L9 G10 I11 K13 L55 K61 Y64 D65D4-Y6 PolarHBondContact O-N 2.79Å; D4-Y6 WeakPolarHBondContact OD1-CA 3.38Å; D4-Y6 VanDerWaalsContact OD1-CB 3.31Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.43Å; D4-Y6 PolarHBondContact OD1-N 3.11Å; Y6-L9 PolarHBondContact O-N 3.03Å; Y6-G10 PolarHBondContact O-N 2.81Å; Y6-I11 CarbonylContact C-O 3.58Å; Y6-I11 WeakPolarHBondContact CB-O 3.34Å; Y6-I11 HydrophobicContact CD1-CD1 4.03Å; Y6-I11 HydrophobicContact CD1-CG1 4.06Å; Y6-I11 WeakPolarHBondContact O-CG1 3.46Å; Y6-I11 PolarHBondContact O-N 3.3Å; Y6-I11 VanDerWaalsContact O-O 3.07Å; Y6-K13 HydrophobicContact CD2-CB 4.17Å; Y6-K13 HydrophobicContact CD2-CG 4.17Å; Y6-K13 HydrophobicContact CE2-CB 4.26Å; Y6-K13 HydrophobicContact CE2-CD 4.34Å; Y6-K13 HydrophobicContact CE2-CG 3.79Å; Y6-K13 HydrophobicContact CG-CB 4.35Å; Y6-L55 HydrophobicContact CD1-CD1 4.12Å; Y6-L55 HydrophobicContact CE1-CD1 4.2Å; Y6-L55 HydrophobicContact CE1-CD2 4.01Å; Y6-L55 HydrophobicContact CE2-CD2 3.96Å; Y6-L55 HydrophobicContact CG-CD1 4.4Å; Y6-K61 WeakPolarHBondContact OH-CE 3.32Å; Y6-Y64 AromaticContact CD2-CE1 3.94Å; Y6-Y64 HydrophobicContact CD2-CE1 3.94Å; Y6-Y64 HydrophobicContact CE2-CD1 4.06Å; Y6-Y64 AromaticContact CE2-CE1 3.75Å; Y6-Y64 HydrophobicContact CE2-CE1 3.75Å; Y6-D65 VanDerWaalsContact CE2-OD1 3.27Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.36Å; Y6-D65 VanDerWaalsContact OH-CG 3.29Å; Y6-D65 PolarHBondContact OH-OD1 3.16Å; Y6-D65 PolarHBondContact OH-OD2 2.65Å
7E88Confident83.3Confident148 Ų14873.7 Ų73.769%0.69241%0.41SS*.Hα-helixtrans-65.8-39.4175-67.6-171.9161.100112.5D4 L9 G10D4-E7 HydrophobicContact CB-CB 3.95Å; D4-E7 HydrophobicContact CB-CG 3.91Å; D4-E7 PolarHBondContact O-N 3.4Å; D4-E7 PolarHBondContact OD1-N 3.41Å; D4-E7 VanDerWaalsContact OD1-N 3.13Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 3.2Å; E7-G10 WeakPolarHBondContact O-CA 3.43Å; E7-G10 PolarHBondContact O-N 3.28Å
8I87.6Confident83.3Confident31 Ų3175.4 Ų75.416%0.15942%0.419CS..Hα-helixtrans-59.5-42.6176.6-71.5163.2000111.2K3 D4 Y5 G10 Q27 E47 I48 A51K3-I8 HydrophobicContact CB-CD1 3.97Å; K3-I8 HydrophobicContact CD-CD1 4.37Å; D4-I8 WeakPolarHBondContact O-CD1 3.31Å; D4-I8 VanDerWaalsContact O-CG1 3.26Å; D4-I8 WeakPolarHBondContact O-CG1 3.09Å; D4-I8 PolarHBondContact O-N 3.26Å; Y5-I8 HydrophobicContact CD1-CD1 3.99Å; I8-G10 VanDerWaalsContact C-N 3.28Å; I8-Q27 PolarHBondContact O-NE2 2.81Å; I8-E47 HydrophobicContact CD1-CB 4.35Å; I8-E47 HydrophobicContact CG2-CB 4.13Å; I8-I48 HydrophobicContact CG2-CG1 4.02Å; I8-A51 HydrophobicContact CB-CB 4.37Å; I8-A51 HydrophobicContact CG2-CB 4.01Å
9L86.8Confident83.4Confident4 Ų474.8 Ų74.82%0.02142%0.415CS..Hα-helixtrans-78.2-12.5174.8-67.5-175.9000113.1Y5 Y6 E7 I11 I20 A23 Y24 I48 A51 L55Y5-L9 WeakPolarHBondContact O-CG 3.29Å; Y5-L9 PolarHBondContact O-N 3.48Å; Y6-L9 PolarHBondContact O-N 3.03Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 3.2Å; L9-I11 HydrophobicContact CB-CD1 4.07Å; L9-I11 HydrophobicContact CB-CG1 3.9Å; L9-I11 HydrophobicContact CD1-CD1 4.18Å; L9-I20 HydrophobicContact CD1-CG2 4.06Å; L9-A23 HydrophobicContact CB-CB 4.17Å; L9-Y24 HydrophobicContact CD2-CD2 4.47Å; L9-I48 HydrophobicContact CD2-CG2 4.05Å; L9-A51 HydrophobicContact CD1-CB 4.23Å; L9-A51 HydrophobicContact CD2-CB 4.12Å; L9-A51 HydrophobicContact CG-CB 3.83Å; L9-L55 HydrophobicContact CD1-CD1 3.81Å
10G87.1Confident83.7Confident61 Ų6171.2 Ų71.263%0.62939%0.394SS*.THydrogen-bonded Turntrans7433.2-179.400000113.4Y6 E7 I8Y6-G10 PolarHBondContact O-N 2.81Å; E7-G10 WeakPolarHBondContact O-CA 3.43Å; E7-G10 PolarHBondContact O-N 3.28Å; I8-G10 VanDerWaalsContact C-N 3.28Å
11I90.2Very high83.9Confident33 Ų3371 Ų7117%0.16939%0.39CS..  trans-123.2163.5-17955.3174.5000110.8Y6 L9 A15 I20 A23Y6-I11 CarbonylContact C-O 3.58Å; Y6-I11 WeakPolarHBondContact CB-O 3.34Å; Y6-I11 HydrophobicContact CD1-CD1 4.03Å; Y6-I11 HydrophobicContact CD1-CG1 4.06Å; Y6-I11 WeakPolarHBondContact O-CG1 3.46Å; Y6-I11 PolarHBondContact O-N 3.3Å; Y6-I11 VanDerWaalsContact O-O 3.07Å; L9-I11 HydrophobicContact CB-CD1 4.07Å; L9-I11 HydrophobicContact CB-CG1 3.9Å; L9-I11 HydrophobicContact CD1-CD1 4.18Å; I11-A15 HydrophobicContact CB-CB 4.31Å; I11-A15 HydrophobicContact CD1-CB 3.98Å; I11-I20 HydrophobicContact CD1-CB 4.37Å; I11-I20 HydrophobicContact CD1-CG1 3.61Å; I11-A23 HydrophobicContact CG2-CB 3.47Å; I11-A23 VanDerWaalsContact CG2-CB 3.47Å
12K88.8Confident85.5Confident183 Ų18365.9 Ų65.980%0.79636%0.36SS*.  trans-87.4149.3176.1-65.9-176.6179.4179.80111G14 A15K12-G14 PolarHBondContact O-N 2.88Å; K12-A15 WeakPolarHBondContact O-CB 3.5Å; K12-A15 PolarHBondContact O-N 3.19Å; K12-A15 VanDerWaalsContact O-N 3.15Å
13K84.3Confident86.5Confident143 Ų14364.6 Ų64.662%0.62235%0.346SS*.THydrogen-bonded Turntrans-56.2131.4170.6-169.8169.3-174.7174.70109.7Y6 D65Y6-K13 HydrophobicContact CD2-CB 4.17Å; Y6-K13 HydrophobicContact CD2-CG 4.17Å; Y6-K13 HydrophobicContact CE2-CB 4.26Å; Y6-K13 HydrophobicContact CE2-CD 4.34Å; Y6-K13 HydrophobicContact CE2-CG 3.79Å; Y6-K13 HydrophobicContact CG-CB 4.35Å; K13-D65 WeakPolarHBondContact CE-OD1 3.45Å; K13-D65 PolarHBondContact NZ-O 3.18Å; K13-D65 VanDerWaalsContact NZ-O 3.13Å
14G81.4Confident87Confident66 Ų6661.2 Ų61.268%0.6833%0.332SS*.THydrogen-bonded Turntrans93.56.3-173.100000115.5K12K12-G14 PolarHBondContact O-N 2.88Å
15A85.2Confident87Confident16 Ų1665 Ų6513%0.13234%0.341CS..  trans-57.5146.817200000112.7I11 K12 D19 I20 K61I11-A15 HydrophobicContact CB-CB 4.31Å; I11-A15 HydrophobicContact CD1-CB 3.98Å; K12-A15 WeakPolarHBondContact O-CB 3.5Å; K12-A15 PolarHBondContact O-N 3.19Å; K12-A15 VanDerWaalsContact O-N 3.15Å; A15-D19 HydrophobicContact CB-CB 4.22Å; A15-I20 HydrophobicContact CB-CG1 4.35Å; A15-K61 PolarHBondContact O-NZ 2.83Å
16S87Confident87Confident53 Ų5370.5 Ų70.537%0.37137%0.365SS..  trans-68.2159.3175.374.40000111.3D18 D19 I20S16-D18 PolarHBondContact O-N 3.02Å; S16-D19 PolarHBondContact O-N 3.49Å; S16-D19 PolarHBondContact OG-N 3.35Å; S16-D19 PolarHBondContact OG-OD2 2.88Å; S16-I20 WeakPolarHBondContact O-CG1 3.37Å; S16-I20 PolarHBondContact O-N 2.89Å
17E84.1Confident87Confident100 Ų10071.7 Ų71.747%0.46737%0.371SS..Hα-helixtrans-57.7-36.5176.3-165.9-170.7149.600112D19 I20 K21E17-D19 VanDerWaalsContact C-N 3.33Å; E17-D19 PolarHBondContact O-N 3.16Å; E17-I20 PolarHBondContact O-N 2.95Å; E17-K21 WeakPolarHBondContact O-CG 3.47Å; E17-K21 PolarHBondContact O-N 3.16Å; E17-K21 VanDerWaalsContact OE1-CE 3.27Å; E17-K21 WeakPolarHBondContact OE1-CE 3.5Å; E17-K21 IonicContact OE1-NZ 2.79Å; E17-K21 PolarHBondContact OE1-NZ 3.32Å
18D82.9Confident86.9Confident105 Ų10564.6 Ų64.656%0.56134%0.338SS*.Hα-helixtrans-65.4-36.7176.2-77-22.1000112.3S16 K21 K22S16-D18 PolarHBondContact O-N 3.02Å; D18-K21 PolarHBondContact O-N 2.83Å; D18-K22 WeakPolarHBondContact O-CB 3.46Å; D18-K22 WeakPolarHBondContact O-CG 3.2Å; D18-K22 PolarHBondContact O-N 2.92Å
19D86.8Confident86.9Confident64 Ų6464 Ų6434%0.34234%0.335SS..Hα-helixtrans-73.7-35.9178.3-60.8-36.6000111.5A15 S16 E17 K22 A23A15-D19 HydrophobicContact CB-CB 4.22Å; S16-D19 PolarHBondContact O-N 3.49Å; S16-D19 PolarHBondContact OG-N 3.35Å; S16-D19 PolarHBondContact OG-OD2 2.88Å; E17-D19 VanDerWaalsContact C-N 3.33Å; E17-D19 PolarHBondContact O-N 3.16Å; D19-K22 PolarHBondContact O-N 3.38Å; D19-K22 IonicContact OD1-NZ 3.79Å; D19-K22 PolarHBondContact OD1-NZ 3.28Å; D19-A23 WeakPolarHBondContact O-CB 3.42Å; D19-A23 PolarHBondContact O-N 2.75Å
20I88.6Confident86.7Confident1 Ų170.5 Ų70.51%0.00536%0.359CS..Hα-helixtrans-60.5-46.6171.3-66161.9000110.2L9 I11 A15 S16 E17 A23 Y24 Y52 L55L9-I20 HydrophobicContact CD1-CG2 4.06Å; I11-I20 HydrophobicContact CD1-CB 4.37Å; I11-I20 HydrophobicContact CD1-CG1 3.61Å; A15-I20 HydrophobicContact CB-CG1 4.35Å; S16-I20 WeakPolarHBondContact O-CG1 3.37Å; S16-I20 PolarHBondContact O-N 2.89Å; E17-I20 PolarHBondContact O-N 2.95Å; I20-A23 PolarHBondContact O-N 2.82Å; I20-Y24 WeakPolarHBondContact O-CB 3.37Å; I20-Y24 PolarHBondContact O-N 3.42Å; I20-Y52 HydrophobicContact CG2-CD2 4.06Å; I20-Y52 HydrophobicContact CG2-CE2 4.38Å; I20-L55 HydrophobicContact CD1-CB 4.2Å; I20-L55 HydrophobicContact CG2-CB 3.92Å
21K88Confident86.6Confident69 Ų6969.3 Ų69.330%0.334%0.336SS..Hα-helixtrans-62.6-43.5176.2-74.8172.9-179.7165.10112.7E17 D18 R25 Y52 F105E17-K21 WeakPolarHBondContact O-CG 3.47Å; E17-K21 PolarHBondContact O-N 3.16Å; E17-K21 VanDerWaalsContact OE1-CE 3.27Å; E17-K21 WeakPolarHBondContact OE1-CE 3.5Å; E17-K21 IonicContact OE1-NZ 2.79Å; E17-K21 PolarHBondContact OE1-NZ 3.32Å; D18-K21 PolarHBondContact O-N 2.83Å; K21-R25 WeakPolarHBondContact O-CB 3.41Å; K21-R25 PolarHBondContact O-N 3.5Å; K21-Y52 HydrophobicContact CG-CE2 3.89Å; K21-F105 HydrophobicContact CB-CE2 4.29Å; K21-F105 HydrophobicContact CB-CZ 4.44Å; K21-F105 HydrophobicContact CG-CE2 4.25Å; K21-F105 WeakPolarHBondContact O-CZ 3.44Å
22K87.9Confident86.4Confident128 Ų12868.2 Ų68.256%0.55733%0.33SS*.Hα-helixtrans-64.4-43177.2-73.6168-163.9160.50111.7D18 D19 R25 K26D18-K22 WeakPolarHBondContact O-CB 3.46Å; D18-K22 WeakPolarHBondContact O-CG 3.2Å; D18-K22 PolarHBondContact O-N 2.92Å; D19-K22 PolarHBondContact O-N 3.38Å; D19-K22 IonicContact OD1-NZ 3.79Å; D19-K22 PolarHBondContact OD1-NZ 3.28Å; K22-R25 PolarHBondContact O-N 3.23Å; K22-K26 PolarHBondContact O-N 2.87Å; K22-K26 VanDerWaalsContact O-N 3.08Å
23A88.6Confident86.1Confident12 Ų1261.1 Ų61.110%0.09930%0.303CS..Hα-helixtrans-64.6-47.3179.500000111.7L9 I11 D19 I20 R25 K26 Q27L9-A23 HydrophobicContact CB-CB 4.17Å; I11-A23 HydrophobicContact CG2-CB 3.47Å; I11-A23 VanDerWaalsContact CG2-CB 3.47Å; D19-A23 WeakPolarHBondContact O-CB 3.42Å; D19-A23 PolarHBondContact O-N 2.75Å; I20-A23 PolarHBondContact O-N 2.82Å; A23-R25 PolarHBondContact O-N 2.92Å; A23-K26 PolarHBondContact O-N 2.81Å; A23-Q27 WeakPolarHBondContact O-CG 3.36Å; A23-Q27 PolarHBondContact O-N 2.87Å
24Y90.2Very high85.8Confident0 Ų060.2 Ų60.20%031%0.305CS..Hα-helixtrans-56.9-48.6173.5174.7-108.8000111.7L9 I20 K26 Q27 A28 I48 Y52 F102 F105L9-Y24 HydrophobicContact CD2-CD2 4.47Å; I20-Y24 WeakPolarHBondContact O-CB 3.37Å; I20-Y24 PolarHBondContact O-N 3.42Å; Y24-K26 VanDerWaalsContact C-N 3.29Å; Y24-K26 PolarHBondContact O-N 3.42Å; Y24-Q27 PolarHBondContact O-N 3.1Å; Y24-A28 HydrophobicContact CD2-CB 4.37Å; Y24-A28 HydrophobicContact CE1-CB 4.45Å; Y24-A28 HydrophobicContact CE2-CB 4.07Å; Y24-A28 WeakPolarHBondContact O-CB 3.38Å; Y24-A28 PolarHBondContact O-N 2.97Å; Y24-I48 HydrophobicContact CD2-CG2 3.58Å; Y24-I48 HydrophobicContact CE2-CG2 3.83Å; Y24-Y52 VanDerWaalsContact CB-CD2 3.4Å; Y24-Y52 AromaticContact CD1-CD1 3.94Å; Y24-Y52 HydrophobicContact CD1-CD1 3.94Å; Y24-Y52 AromaticContact CD1-CD2 3.86Å; Y24-Y52 HydrophobicContact CD1-CD2 3.86Å; Y24-Y52 HydrophobicContact CD1-CE1 4.22Å; Y24-Y52 HydrophobicContact CD1-CE2 4.13Å; Y24-Y52 AromaticContact CD1-CG 3.76Å; Y24-Y52 HydrophobicContact CD1-CG 3.76Å; Y24-Y52 HydrophobicContact CD2-CD1 4.27Å; Y24-Y52 HydrophobicContact CD2-CD2 4.14Å; Y24-Y52 AromaticContact CD2-CG 3.65Å; Y24-Y52 HydrophobicContact CD2-CG 3.65Å; Y24-Y52 AromaticContact CE1-CD1 3.97Å; Y24-Y52 HydrophobicContact CE1-CD1 3.97Å; Y24-Y52 HydrophobicContact CE1-CE1 4.28Å; Y24-Y52 HydrophobicContact CE1-CG 4.19Å; Y24-Y52 HydrophobicContact CE2-CD1 4.31Å; Y24-Y52 HydrophobicContact CE2-CG 4.1Å; Y24-Y52 HydrophobicContact CG-CD1 4.08Å; Y24-Y52 AromaticContact CG-CD2 3.53Å; Y24-Y52 HydrophobicContact CG-CD2 3.53Å; Y24-Y52 HydrophobicContact CG-CE2 4.22Å; Y24-Y52 AromaticContact CG-CG 3.45Å; Y24-Y52 HydrophobicContact CG-CG 3.45Å; Y24-Y52 VanDerWaalsContact CG-CG 3.45Å; Y24-F102 PolarHBondContact OH-N 3.16Å; Y24-F105 AromaticContact CD1-CD1 3.94Å; Y24-F105 HydrophobicContact CD1-CD1 3.94Å; Y24-F105 AromaticContact CD1-CD2 3.64Å; Y24-F105 HydrophobicContact CD1-CD2 3.64Å; Y24-F105 AromaticContact CD1-CE1 3.93Å; Y24-F105 HydrophobicContact CD1-CE1 3.93Å; Y24-F105 AromaticContact CD1-CE2 3.63Å; Y24-F105 HydrophobicContact CD1-CE2 3.63Å; Y24-F105 AromaticContact CD1-CG 3.8Å; Y24-F105 HydrophobicContact CD1-CG 3.8Å; Y24-F105 AromaticContact CD1-CZ 3.78Å; Y24-F105 HydrophobicContact CD1-CZ 3.78Å; Y24-F105 HydrophobicContact CE1-CB 3.79Å; Y24-F105 AromaticContact CE1-CD1 3.77Å; Y24-F105 HydrophobicContact CE1-CD1 3.77Å; Y24-F105 AromaticContact CE1-CD2 3.69Å; Y24-F105 HydrophobicContact CE1-CD2 3.69Å; Y24-F105 HydrophobicContact CE1-CE1 4.24Å; Y24-F105 HydrophobicContact CE1-CE2 4.18Å; Y24-F105 AromaticContact CE1-CG 3.47Å; Y24-F105 HydrophobicContact CE1-CG 3.47Å; Y24-F105 VanDerWaalsContact CE1-CG 3.47Å; Y24-F105 HydrophobicContact CE1-CZ 4.43Å
25R88Confident85.4Confident142 Ų14262 Ų6254%0.53629%0.293SS..Hα-helixtrans-52.9-46.6176.5-178-178.8-67.5-173.5-0.8112.1K21 K22 A23 L29 F105 F106K21-R25 WeakPolarHBondContact O-CB 3.41Å; K21-R25 PolarHBondContact O-N 3.5Å; K22-R25 PolarHBondContact O-N 3.23Å; A23-R25 PolarHBondContact O-N 2.92Å; R25-L29 HydrophobicContact CG-CD1 4.3Å; R25-L29 WeakPolarHBondContact O-CD1 3.2Å; R25-L29 VanDerWaalsContact O-CG 3.28Å; R25-L29 WeakPolarHBondContact O-CG 3.29Å; R25-L29 PolarHBondContact O-N 3.43Å; R25-F105 HydrophobicContact CB-CE1 3.83Å; R25-F105 HydrophobicContact CB-CZ 4.05Å; R25-F105 HydrophobicContact CG-CE1 4.25Å; R25-F106 HydrophobicContact CB-CZ 4.42Å; R25-F106 HydrophobicContact CG-CE1 3.91Å; R25-F106 HydrophobicContact CG-CZ 3.85Å
26K87.8Confident85.1Confident116 Ų11663.2 Ų63.250%0.50430%0.298SS..Hα-helixtrans-66.5-47-178.2-175.3179.2-179.6179.30111.8K22 A23 Y24 R30K22-K26 PolarHBondContact O-N 2.87Å; K22-K26 VanDerWaalsContact O-N 3.08Å; A23-K26 PolarHBondContact O-N 2.81Å; Y24-K26 VanDerWaalsContact C-N 3.29Å; Y24-K26 PolarHBondContact O-N 3.42Å; K26-R30 WeakPolarHBondContact O-CB 3.35Å; K26-R30 PolarHBondContact O-N 3.4Å
27Q87.3Confident84.7Confident30 Ų3069.6 Ų69.614%0.1432%0.319CS..Hα-helixtrans-73.9-40.5-175.8-69.9-76.465.400112.1I8 A23 Y24 L29 R30 Y31 I48I8-Q27 PolarHBondContact O-NE2 2.81Å; A23-Q27 WeakPolarHBondContact O-CG 3.36Å; A23-Q27 PolarHBondContact O-N 2.87Å; Y24-Q27 PolarHBondContact O-N 3.1Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 3.42Å; Q27-R30 WeakPolarHBondContact O-CB 3.09Å; Q27-R30 PolarHBondContact O-N 2.71Å; Q27-Y31 PolarHBondContact O-N 2.93Å; Q27-I48 HydrophobicContact CB-CD1 3.73Å; Q27-I48 HydrophobicContact CB-CG1 4.03Å; Q27-I48 HydrophobicContact CB-CG2 3.91Å
28A86.9Confident84.5Confident0 Ų067.7 Ų67.70%032%0.316CS..Hα-helixtrans-60.5-39.9176.800000112Y24 R30 H32 F45 I48 F102Y24-A28 HydrophobicContact CD2-CB 4.37Å; Y24-A28 HydrophobicContact CE1-CB 4.45Å; Y24-A28 HydrophobicContact CE2-CB 4.07Å; Y24-A28 WeakPolarHBondContact O-CB 3.38Å; Y24-A28 PolarHBondContact O-N 2.97Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-H32 WeakPolarHBondContact O-CB 3.44Å; A28-H32 PolarHBondContact O-N 2.75Å; A28-H32 VanDerWaalsContact O-N 3.09Å; A28-F45 HydrophobicContact CB-CE2 4.13Å; A28-I48 HydrophobicContact CB-CG2 4.44Å; A28-F102 HydrophobicContact CB-CD2 4.03Å; A28-F102 HydrophobicContact CB-CE2 4.12Å
29L86.3Confident84.2Confident19 Ų1969.2 Ų69.210%0.09933%0.332CS..Hα-helixtrans-71.4-26.7175-69.8173.2000113.5R25 Q27 F102 F106 P111 F112R25-L29 HydrophobicContact CG-CD1 4.3Å; R25-L29 WeakPolarHBondContact O-CD1 3.2Å; R25-L29 VanDerWaalsContact O-CG 3.28Å; R25-L29 WeakPolarHBondContact O-CG 3.29Å; R25-L29 PolarHBondContact O-N 3.43Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 3.42Å; L29-F102 HydrophobicContact CD2-CE2 4.43Å; L29-F102 HydrophobicContact CD2-CZ 4.32Å; L29-F106 HydrophobicContact CD1-CZ 4.4Å; L29-F106 HydrophobicContact CD2-CZ 4.24Å; L29-F106 HydrophobicContact CG-CZ 4.09Å; L29-P111 HydrophobicContact CD2-CB 4.03Å; L29-P111 HydrophobicContact CD2-CG 3.8Å; L29-F112 HydrophobicContact CD2-CD1 4.33Å; L29-F112 HydrophobicContact CD2-CE1 3.94Å; L29-F112 HydrophobicContact CD2-CZ 4.18Å
30R83.9Confident83.8Confident140 Ų14067.7 Ų67.753%0.52833%0.332SS..Hα-helixtrans-78.2-36.1-179.4-175.4178.3-178.5-179.12.3112.6K26 Q27 A28 N36K26-R30 WeakPolarHBondContact O-CB 3.35Å; K26-R30 PolarHBondContact O-N 3.4Å; Q27-R30 WeakPolarHBondContact O-CB 3.09Å; Q27-R30 PolarHBondContact O-N 2.71Å; A28-R30 VanDerWaalsContact C-N 3.34Å; R30-N36 PolarHBondContact O-ND2 3.24Å
31Y85.6Confident83.3Confident36 Ų3667.8 Ų67.814%0.14133%0.332CS..Hα-helixtrans-108.37.7-175.8-68.3-77.2000113.8Q27 A41 K44 I48Q27-Y31 PolarHBondContact O-N 2.93Å; Y31-A41 HydrophobicContact CD1-CB 4.29Å; Y31-K44 HydrophobicContact CD1-CB 3.95Å; Y31-K44 HydrophobicContact CD1-CD 4.03Å; Y31-K44 HydrophobicContact CE1-CB 4.35Å; Y31-K44 HydrophobicContact CE1-CD 3.57Å; Y31-K44 HydrophobicContact CG-CB 4.12Å; Y31-I48 HydrophobicContact CD2-CD1 3.51Å; Y31-I48 HydrophobicContact CE2-CD1 4.33Å; Y31-I48 HydrophobicContact CG-CD1 4.04Å
32H86Confident83Confident10 Ų1069.4 Ų69.45%0.04634%0.341CS..  trans-57.6132178.1-163.6-92000111.8A28 D34 K35 N36 F45 F102 F112A28-H32 WeakPolarHBondContact O-CB 3.44Å; A28-H32 PolarHBondContact O-N 2.75Å; A28-H32 VanDerWaalsContact O-N 3.09Å; H32-D34 IonicContact CE1-OD2 2.76Å; H32-D34 PolarHBondContact CE1-OD2 2.83Å; H32-D34 VanDerWaalsContact CE1-OD2 3.23Å; H32-D34 WeakPolarHBondContact ND1-CB 3.41Å; H32-D34 PolarHBondContact ND1-N 3.1Å; H32-D34 IonicContact ND1-OD2 3.94Å; H32-D34 PolarHBondContact O-N 2.66Å; H32-D34 VanDerWaalsContact O-N 3.13Å; H32-K35 PolarHBondContact O-N 3.02Å; H32-N36 PolarHBondContact O-N 3.17Å; H32-F45 AromaticContact CD2-CE2 3.88Å; H32-F45 AromaticContact CD2-CZ 3.76Å; H32-F102 AromaticContact CD2-CE1 3.94Å; H32-F102 AromaticContact CD2-CE2 3.7Å; H32-F102 AromaticContact CD2-CZ 3.64Å; H32-F102 AromaticContact NE2-CE1 3.8Å; H32-F102 AromaticContact NE2-CZ 3.98Å; H32-F112 HydrophobicContact CB-CE1 4.49Å; H32-F112 HydrophobicContact CB-CZ 3.86Å; H32-F112 AromaticContact CG-CZ 3.74Å; H32-F112 AromaticContact ND1-CZ 3.81Å
33P81Confident82.8Confident34 Ų3469.8 Ų69.822%0.22135%0.345CS..THydrogen-bonded Turntrans-54.8-34-176.2-29.736.5000114.8K35 E42 F45P33-K35 VanDerWaalsContact C-N 3.3Å; P33-K35 PolarHBondContact O-N 3.34Å; P33-E42 HydrophobicContact CG-CG 4.48Å; P33-F45 HydrophobicContact CG-CD1 4.34Å
34D77.6Confident82.6Confident124 Ų12474.2 Ų74.266%0.66336%0.362SS*.THydrogen-bonded Turntrans-66.8-29.6179.3-66.3-14.7000113.7H32H32-D34 IonicContact CE1-OD2 2.76Å; H32-D34 PolarHBondContact CE1-OD2 2.83Å; H32-D34 VanDerWaalsContact CE1-OD2 3.23Å; H32-D34 WeakPolarHBondContact ND1-CB 3.41Å; H32-D34 PolarHBondContact ND1-N 3.1Å; H32-D34 IonicContact ND1-OD2 3.94Å; H32-D34 PolarHBondContact O-N 2.66Å; H32-D34 VanDerWaalsContact O-N 3.13Å
35K74.6Confident82.5Confident103 Ų10374.3 Ų74.345%0.44836%0.362SS..THydrogen-bonded Turntrans-104-30.5-174.6-169174.8-178.8-178.80112.6H32 P33 F112 F116H32-K35 PolarHBondContact O-N 3.02Å; P33-K35 VanDerWaalsContact C-N 3.3Å; P33-K35 PolarHBondContact O-N 3.34Å; K35-F112 HydrophobicContact CB-CE1 4.31Å; K35-F112 HydrophobicContact CD-CD1 4.36Å; K35-F112 HydrophobicContact CD-CE1 4.13Å; K35-F116 VanDerWaalsContact NZ-CD2 3.3Å
36N78.6Confident82.4Confident41 Ų4171.9 Ų71.922%0.21936%0.355CS..  trans-12298.6-175.6-167.6-9.2000110.9R30 H32 S38 A41R30-N36 PolarHBondContact O-ND2 3.24Å; H32-N36 PolarHBondContact O-N 3.17Å; N36-S38 VanDerWaalsContact C-N 3.31Å; N36-S38 WeakPolarHBondContact OD1-CB 3.48Å; N36-S38 PolarHBondContact OD1-N 3.37Å; N36-S38 PolarHBondContact OD1-OG 2.99Å; N36-A41 HydrophobicContact CB-CB 4.17Å; N36-A41 WeakPolarHBondContact O-CB 3.35Å
37K78.3Confident82.5Confident188 Ų18869.2 Ų69.282%0.81735%0.345SS*.  trans-9217178.4-58.7-175.2-179.2-176.90113.4
38S79.8Confident82.6Confident59 Ų5967.9 Ų67.941%0.41334%0.339SS..SBendtrans-70.8145.2177.255.20000111.1N36 G40 A41N36-S38 VanDerWaalsContact C-N 3.31Å; N36-S38 WeakPolarHBondContact OD1-CB 3.48Å; N36-S38 PolarHBondContact OD1-N 3.37Å; N36-S38 PolarHBondContact OD1-OG 2.99Å; S38-G40 PolarHBondContact O-N 2.99Å; S38-A41 WeakPolarHBondContact O-CB 3.2Å; S38-A41 PolarHBondContact O-N 2.86Å; S38-A41 VanDerWaalsContact O-N 3.09Å
39P76.5Confident82.6Confident137 Ų13767.9 Ų67.989%0.8934%0.339SS*.THydrogen-bonded Turntrans-60.2125.3177.223.4-31.5000109.8
40G78.1Confident82.7Confident33 Ų3367.8 Ų67.834%0.3434%0.338SS..THydrogen-bonded Turntrans90.6-1.5-176.700000115.8S38 K44S38-G40 PolarHBondContact O-N 2.99Å; G40-K44 WeakPolarHBondContact O-CG 3.45Å; G40-K44 PolarHBondContact O-N 2.94Å; G40-K44 VanDerWaalsContact O-N 3.14Å
41A79.2Confident83Confident2 Ų261.1 Ų61.12%0.01731%0.313CS..Hα-helixtrans-67.4-37.517500000112.6Y31 N36 S38 K44 F45Y31-A41 HydrophobicContact CD1-CB 4.29Å; N36-A41 HydrophobicContact CB-CB 4.17Å; N36-A41 WeakPolarHBondContact O-CB 3.35Å; S38-A41 WeakPolarHBondContact O-CB 3.2Å; S38-A41 PolarHBondContact O-N 2.86Å; S38-A41 VanDerWaalsContact O-N 3.09Å; A41-K44 PolarHBondContact O-N 3.25Å; A41-F45 WeakPolarHBondContact O-CB 3.37Å; A41-F45 PolarHBondContact O-N 3.3Å
42E80.7Confident83.2Confident104 Ų10460.7 Ų60.749%0.48631%0.311SS..Hα-helixtrans-66.7-39.1177.1-166.6-168.1144.700112.1P33 F45 K46P33-E42 HydrophobicContact CG-CG 4.48Å; E42-F45 PolarHBondContact O-N 2.81Å; E42-K46 WeakPolarHBondContact O-CG 3.2Å; E42-K46 PolarHBondContact O-N 2.8Å; E42-K46 WeakPolarHBondContact OE1-CE 3.37Å; E42-K46 IonicContact OE1-NZ 2.62Å; E42-K46 PolarHBondContact OE1-NZ 2.78Å
43E84.6Confident83.3Confident136 Ų13662.2 Ų62.264%0.63632%0.319SS*.Hα-helixtrans-63.8-44.5174.7-67.1-177.5160.800110.8F45 K46 E47E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.41Å; E43-K46 WeakPolarHBondContact O-CB 3.49Å; E43-K46 PolarHBondContact O-N 2.78Å; E43-E47 WeakPolarHBondContact O-CG 3.43Å; E43-E47 PolarHBondContact O-N 3.12Å
44K84.2Confident83.6Confident104 Ų10460.6 Ų60.645%0.45231%0.309SS..Hα-helixtrans-62.4-38.3174.4-72.8-177177.7-176.50112.4Y31 G40 A41 K46 E47 I48Y31-K44 HydrophobicContact CD1-CB 3.95Å; Y31-K44 HydrophobicContact CD1-CD 4.03Å; Y31-K44 HydrophobicContact CE1-CB 4.35Å; Y31-K44 HydrophobicContact CE1-CD 3.57Å; Y31-K44 HydrophobicContact CG-CB 4.12Å; G40-K44 WeakPolarHBondContact O-CG 3.45Å; G40-K44 PolarHBondContact O-N 2.94Å; G40-K44 VanDerWaalsContact O-N 3.14Å; A41-K44 PolarHBondContact O-N 3.25Å; K44-K46 VanDerWaalsContact C-N 3.34Å; K44-E47 PolarHBondContact O-N 3.36Å; K44-I48 WeakPolarHBondContact O-CB 3.46Å; K44-I48 VanDerWaalsContact O-CD1 3.24Å; K44-I48 WeakPolarHBondContact O-CD1 3.22Å; K44-I48 WeakPolarHBondContact O-CG1 3.49Å; K44-I48 PolarHBondContact O-N 3.02Å
45F86.9Confident84.1Confident2 Ų254.8 Ų54.81%0.00928%0.278CS..Hα-helixtrans-63.2-41.1176.3-175-108.7000112.1A28 H32 P33 A41 E42 E43 I48 A49 P98 F102A28-F45 HydrophobicContact CB-CE2 4.13Å; H32-F45 AromaticContact CD2-CE2 3.88Å; H32-F45 AromaticContact CD2-CZ 3.76Å; P33-F45 HydrophobicContact CG-CD1 4.34Å; A41-F45 WeakPolarHBondContact O-CB 3.37Å; A41-F45 PolarHBondContact O-N 3.3Å; E42-F45 PolarHBondContact O-N 2.81Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.41Å; F45-I48 PolarHBondContact O-N 3Å; F45-A49 PolarHBondContact O-N 3Å; F45-P98 HydrophobicContact CD1-CB 3.87Å; F45-P98 HydrophobicContact CE1-CB 3.68Å; F45-F102 AromaticContact CE2-CD2 4Å; F45-F102 HydrophobicContact CE2-CD2 4Å; F45-F102 HydrophobicContact CZ-CB 4.02Å; F45-F102 AromaticContact CZ-CD2 3.9Å; F45-F102 HydrophobicContact CZ-CD2 3.9Å; F45-F102 HydrophobicContact CZ-CG 4.14Å
46K87.5Confident84.7Confident91 Ų9151.3 Ų51.340%0.39627%0.267SS..Hα-helixtrans-59.3-46.8172.5-74.8166.1-174.31710111.4E42 E43 K44 I48 A49 E50 P98E42-K46 WeakPolarHBondContact O-CG 3.2Å; E42-K46 PolarHBondContact O-N 2.8Å; E42-K46 WeakPolarHBondContact OE1-CE 3.37Å; E42-K46 IonicContact OE1-NZ 2.62Å; E42-K46 PolarHBondContact OE1-NZ 2.78Å; E43-K46 WeakPolarHBondContact O-CB 3.49Å; E43-K46 PolarHBondContact O-N 2.78Å; K44-K46 VanDerWaalsContact C-N 3.34Å; K46-I48 PolarHBondContact O-N 2.79Å; K46-A49 PolarHBondContact O-N 2.96Å; K46-E50 PolarHBondContact O-N 2.5Å; K46-P98 HydrophobicContact CB-CG 4.37Å; K46-P98 HydrophobicContact CG-CG 3.67Å
47E88.1Confident85Confident60 Ų6051.9 Ų51.928%0.2827%0.27SS..Hα-helixtrans-64.7-37.9178.9-68.5-176.1156.800113K3 I8 E43 K44 E50 A51K3-E47 IonicContact NZ-OE1 3.76Å; K3-E47 PolarHBondContact NZ-OE1 2.99Å; I8-E47 HydrophobicContact CD1-CB 4.35Å; I8-E47 HydrophobicContact CG2-CB 4.13Å; E43-E47 WeakPolarHBondContact O-CG 3.43Å; E43-E47 PolarHBondContact O-N 3.12Å; K44-E47 PolarHBondContact O-N 3.36Å; E47-E50 PolarHBondContact O-N 3.08Å; E47-A51 VanDerWaalsContact O-CB 3.28Å; E47-A51 WeakPolarHBondContact O-CB 3.32Å; E47-A51 PolarHBondContact O-N 2.95Å
48I89.9Confident85.4Confident3 Ų347.6 Ų47.62%0.01526%0.261CS..Hα-helixtrans-65.5-39.5175.9-70.7157.4000111.1I8 L9 Y24 Q27 A28 Y31 K44 F45 K46 Y52I8-I48 HydrophobicContact CG2-CG1 4.02Å; L9-I48 HydrophobicContact CD2-CG2 4.05Å; Y24-I48 HydrophobicContact CD2-CG2 3.58Å; Y24-I48 HydrophobicContact CE2-CG2 3.83Å; Q27-I48 HydrophobicContact CB-CD1 3.73Å; Q27-I48 HydrophobicContact CB-CG1 4.03Å; Q27-I48 HydrophobicContact CB-CG2 3.91Å; A28-I48 HydrophobicContact CB-CG2 4.44Å; Y31-I48 HydrophobicContact CD2-CD1 3.51Å; Y31-I48 HydrophobicContact CE2-CD1 4.33Å; Y31-I48 HydrophobicContact CG-CD1 4.04Å; K44-I48 WeakPolarHBondContact O-CB 3.46Å; K44-I48 VanDerWaalsContact O-CD1 3.24Å; K44-I48 WeakPolarHBondContact O-CD1 3.22Å; K44-I48 WeakPolarHBondContact O-CG1 3.49Å; K44-I48 PolarHBondContact O-N 3.02Å; F45-I48 PolarHBondContact O-N 3Å; K46-I48 PolarHBondContact O-N 2.79Å; I48-Y52 PolarHBondContact O-N 2.97Å; I48-Y52 VanDerWaalsContact O-N 3.12Å
49A87.8Confident85.6Confident0 Ų052.1 Ų52.10%027%0.273CS..Hα-helixtrans-68.3-42.9176.700000112F45 K46 Y52 D53 F94 P98 I101F45-A49 PolarHBondContact O-N 3Å; K46-A49 PolarHBondContact O-N 2.96Å; A49-Y52 PolarHBondContact O-N 2.88Å; A49-D53 PolarHBondContact O-N 3.48Å; A49-F94 HydrophobicContact CB-CZ 4.14Å; A49-P98 HydrophobicContact CB-CB 3.85Å; A49-I101 HydrophobicContact CB-CD1 4.35Å
50E87.8Confident86Confident17 Ų1746.7 Ų46.78%0.07924%0.235CC..Hα-helixtrans-61.2-46.8174.8-171.1-177.216800111.4Y5 K46 E47 Y52 D53 V54 K73 F94Y5-E50 HydrophobicContact CE1-CB 4.44Å; Y5-E50 HydrophobicContact CE1-CG 3.91Å; Y5-E50 PolarHBondContact OH-OE1 3.23Å; K46-E50 PolarHBondContact O-N 2.5Å; E47-E50 PolarHBondContact O-N 3.08Å; E50-Y52 VanDerWaalsContact C-N 3.29Å; E50-Y52 PolarHBondContact O-N 2.92Å; E50-D53 PolarHBondContact O-N 3.12Å; E50-V54 WeakPolarHBondContact O-CG2 3.34Å; E50-V54 PolarHBondContact O-N 3.08Å; E50-V54 VanDerWaalsContact O-N 3.12Å; E50-K73 IonicContact OE1-NZ 3.93Å; E50-F94 HydrophobicContact CB-CD2 3.99Å; E50-F94 HydrophobicContact CB-CE2 4.02Å; E50-F94 HydrophobicContact CB-CG 4.35Å; E50-F94 HydrophobicContact CB-CZ 4.39Å; E50-F94 HydrophobicContact CG-CB 4.3Å; E50-F94 HydrophobicContact CG-CD2 3.94Å; E50-F94 HydrophobicContact CG-CE2 4.47Å; E50-F94 HydrophobicContact CG-CG 4.11Å
51A89.6Confident86.4Confident0 Ų047.1 Ų47.10%023%0.228CC..Hα-helixtrans-58.9-41177.600000112.2Y5 I8 L9 E47 L55Y5-A51 HydrophobicContact CD1-CB 3.62Å; Y5-A51 HydrophobicContact CG-CB 3.98Å; I8-A51 HydrophobicContact CB-CB 4.37Å; I8-A51 HydrophobicContact CG2-CB 4.01Å; L9-A51 HydrophobicContact CD1-CB 4.23Å; L9-A51 HydrophobicContact CD2-CB 4.12Å; L9-A51 HydrophobicContact CG-CB 3.83Å; E47-A51 VanDerWaalsContact O-CB 3.28Å; E47-A51 WeakPolarHBondContact O-CB 3.32Å; E47-A51 PolarHBondContact O-N 2.95Å; A51-L55 VanDerWaalsContact O-CB 3.26Å; A51-L55 WeakPolarHBondContact O-CB 3.49Å; A51-L55 VanDerWaalsContact O-CG 3.26Å; A51-L55 WeakPolarHBondContact O-CG 3.28Å; A51-L55 PolarHBondContact O-N 3.17Å
52Y89.9Confident86.6Confident27 Ų2750.6 Ų50.611%0.10625%0.246CC..Hα-helixtrans-71.2-42178.1179.9-102.8000112.7I20 K21 Y24 I48 A49 E50 V54 L55 S56 I101 F105I20-Y52 HydrophobicContact CG2-CD2 4.06Å; I20-Y52 HydrophobicContact CG2-CE2 4.38Å; K21-Y52 HydrophobicContact CG-CE2 3.89Å; Y24-Y52 VanDerWaalsContact CB-CD2 3.4Å; Y24-Y52 AromaticContact CD1-CD1 3.94Å; Y24-Y52 HydrophobicContact CD1-CD1 3.94Å; Y24-Y52 AromaticContact CD1-CD2 3.86Å; Y24-Y52 HydrophobicContact CD1-CD2 3.86Å; Y24-Y52 HydrophobicContact CD1-CE1 4.22Å; Y24-Y52 HydrophobicContact CD1-CE2 4.13Å; Y24-Y52 AromaticContact CD1-CG 3.76Å; Y24-Y52 HydrophobicContact CD1-CG 3.76Å; Y24-Y52 HydrophobicContact CD2-CD1 4.27Å; Y24-Y52 HydrophobicContact CD2-CD2 4.14Å; Y24-Y52 AromaticContact CD2-CG 3.65Å; Y24-Y52 HydrophobicContact CD2-CG 3.65Å; Y24-Y52 AromaticContact CE1-CD1 3.97Å; Y24-Y52 HydrophobicContact CE1-CD1 3.97Å; Y24-Y52 HydrophobicContact CE1-CE1 4.28Å; Y24-Y52 HydrophobicContact CE1-CG 4.19Å; Y24-Y52 HydrophobicContact CE2-CD1 4.31Å; Y24-Y52 HydrophobicContact CE2-CG 4.1Å; Y24-Y52 HydrophobicContact CG-CD1 4.08Å; Y24-Y52 AromaticContact CG-CD2 3.53Å; Y24-Y52 HydrophobicContact CG-CD2 3.53Å; Y24-Y52 HydrophobicContact CG-CE2 4.22Å; Y24-Y52 AromaticContact CG-CG 3.45Å; Y24-Y52 HydrophobicContact CG-CG 3.45Å; Y24-Y52 VanDerWaalsContact CG-CG 3.45Å; I48-Y52 PolarHBondContact O-N 2.97Å; I48-Y52 VanDerWaalsContact O-N 3.12Å; A49-Y52 PolarHBondContact O-N 2.88Å; E50-Y52 VanDerWaalsContact C-N 3.29Å; E50-Y52 PolarHBondContact O-N 2.92Å; Y52-V54 VanDerWaalsContact C-N 3.26Å; Y52-V54 PolarHBondContact O-N 3.35Å; Y52-L55 PolarHBondContact O-N 2.76Å; Y52-S56 WeakPolarHBondContact O-CB 3.34Å; Y52-S56 PolarHBondContact O-N 2.77Å; Y52-S56 PolarHBondContact O-OG 2.79Å; Y52-I101 HydrophobicContact CD1-CG2 3.97Å; Y52-I101 HydrophobicContact CE1-CG2 4.47Å; Y52-F105 AromaticContact CE1-CD2 3.76Å; Y52-F105 HydrophobicContact CE1-CD2 3.76Å; Y52-F105 HydrophobicContact CE1-CE2 4.26Å; Y52-F105 HydrophobicContact CE2-CD2 4.26Å; Y52-F105 AromaticContact CE2-CE2 3.93Å; Y52-F105 HydrophobicContact CE2-CE2 3.93Å; Y52-F105 AromaticContact CZ-CD2 3.53Å; Y52-F105 AromaticContact CZ-CE2 3.6Å; Y52-F105 WeakPolarHBondContact OH-CD2 3.43Å; Y52-F105 WeakPolarHBondContact OH-CE2 3.28Å
53D87.7Confident86.7Confident41 Ų4146.9 Ų46.922%0.21923%0.229CC..Hα-helixtrans-61.2-36.1178.1-177.156000112.4A49 E50 K60 Y92 F94 I101A49-D53 PolarHBondContact O-N 3.48Å; E50-D53 PolarHBondContact O-N 3.12Å; D53-K60 WeakPolarHBondContact O-CD 3.45Å; D53-K60 PolarHBondContact O-NZ 3.04Å; D53-K60 IonicContact OD1-NZ 3.35Å; D53-K60 PolarHBondContact OD1-NZ 2.84Å; D53-K60 IonicContact OD2-NZ 2.85Å; D53-K60 PolarHBondContact OD2-NZ 2.83Å; D53-Y92 WeakPolarHBondContact OD2-CE2 3.4Å; D53-Y92 VanDerWaalsContact OD2-CZ 3.24Å; D53-Y92 PolarHBondContact OD2-OH 2.95Å; D53-F94 HydrophobicContact CB-CE2 4.44Å; D53-I101 HydrophobicContact CB-CD1 4.14Å
54V88Confident86.8Confident0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-75.1-48.3176.5172.90000111.8Y5 E50 Y52 K60 K61 Y64 L72 Y92Y5-V54 HydrophobicContact CD2-CB 4.08Å; Y5-V54 HydrophobicContact CD2-CG1 3.83Å; Y5-V54 HydrophobicContact CD2-CG2 4.4Å; Y5-V54 HydrophobicContact CE2-CB 4.01Å; Y5-V54 HydrophobicContact CE2-CG1 3.86Å; Y5-V54 HydrophobicContact CE2-CG2 3.83Å; E50-V54 WeakPolarHBondContact O-CG2 3.34Å; E50-V54 PolarHBondContact O-N 3.08Å; E50-V54 VanDerWaalsContact O-N 3.12Å; Y52-V54 VanDerWaalsContact C-N 3.26Å; Y52-V54 PolarHBondContact O-N 3.35Å; V54-K60 HydrophobicContact CG1-CB 4.33Å; V54-K60 CarbonylContact O-C 3.54Å; V54-K60 WeakPolarHBondContact O-CB 3.32Å; V54-K61 PolarHBondContact O-N 2.89Å; V54-K61 VanDerWaalsContact O-N 3.12Å; V54-Y64 HydrophobicContact CG1-CD2 4.37Å; V54-Y64 HydrophobicContact CG1-CG 4.03Å; V54-L72 HydrophobicContact CB-CD1 4.33Å; V54-L72 HydrophobicContact CG1-CD1 3.48Å; V54-L72 VanDerWaalsContact CG1-CD1 3.48Å; V54-L72 HydrophobicContact CG1-CD2 4.41Å; V54-L72 HydrophobicContact CG2-CD1 3.83Å; V54-Y92 HydrophobicContact CG2-CD1 4.46Å; V54-Y92 HydrophobicContact CG2-CE1 3.72Å
55L88.7Confident86.8Confident3 Ų338.7 Ų38.72%0.01619%0.194CC..Hα-helixtrans-80.6-18.2-172.9-66177.6000113.8Y6 L9 I20 A51 Y52 K61 Y64Y6-L55 HydrophobicContact CD1-CD1 4.12Å; Y6-L55 HydrophobicContact CE1-CD1 4.2Å; Y6-L55 HydrophobicContact CE1-CD2 4.01Å; Y6-L55 HydrophobicContact CE2-CD2 3.96Å; Y6-L55 HydrophobicContact CG-CD1 4.4Å; L9-L55 HydrophobicContact CD1-CD1 3.81Å; I20-L55 HydrophobicContact CD1-CB 4.2Å; I20-L55 HydrophobicContact CG2-CB 3.92Å; A51-L55 VanDerWaalsContact O-CB 3.26Å; A51-L55 WeakPolarHBondContact O-CB 3.49Å; A51-L55 VanDerWaalsContact O-CG 3.26Å; A51-L55 WeakPolarHBondContact O-CG 3.28Å; A51-L55 PolarHBondContact O-N 3.17Å; Y52-L55 PolarHBondContact O-N 2.76Å; L55-K61 HydrophobicContact CD2-CG 4.21Å; L55-Y64 HydrophobicContact CD2-CD1 3.87Å; L55-Y64 HydrophobicContact CD2-CE1 4.26Å
56S86.7Confident86.6Confident30 Ų3045.9 Ų45.921%0.2122%0.221CC..Hα-helixtrans-81.8-25.1177.863.90000113.7Y52Y52-S56 WeakPolarHBondContact O-CB 3.34Å; Y52-S56 PolarHBondContact O-N 2.77Å; Y52-S56 PolarHBondContact O-OG 2.79Å
57D85.3Confident86.2Confident53 Ų5348 Ų4828%0.28323%0.23SC..SBendtrans-90.1119.6175.2-175-42.2000110K59 K60 K61D57-K59 PolarHBondContact O-N 2.96Å; D57-K59 VanDerWaalsContact O-N 3.13Å; D57-K59 WeakPolarHBondContact OD1-CA 3.4Å; D57-K59 WeakPolarHBondContact OD1-CB 3.45Å; D57-K59 PolarHBondContact OD1-N 2.75Å; D57-K60 HydrophobicContact CB-CB 4.03Å; D57-K60 HydrophobicContact CB-CD 3.89Å; D57-K60 HydrophobicContact CB-CG 3.89Å; D57-K60 PolarHBondContact O-N 3.46Å; D57-K60 VanDerWaalsContact O-N 3.17Å; D57-K60 PolarHBondContact OD1-N 2.87Å; D57-K61 WeakPolarHBondContact O-CB 3.48Å; D57-K61 PolarHBondContact O-N 3.41Å
58P85.4Confident85.8Confident97 Ų9746.4 Ų46.463%0.6323%0.23SC*.Hα-helixtrans-54.6-33.7-179.5-27.135000114.3D62P58-D62 VanDerWaalsContact O-CB 3.28Å; P58-D62 WeakPolarHBondContact O-CB 3.25Å; P58-D62 PolarHBondContact O-N 2.8Å; P58-D62 VanDerWaalsContact O-N 3.16Å
59K84.1Confident85.2Confident154 Ų15447.4 Ų47.467%0.6724%0.235SC*.Hα-helixtrans-75.5-43.2179.9-63.6179.2179176.70111.5D57 D62 I63D57-K59 PolarHBondContact O-N 2.96Å; D57-K59 VanDerWaalsContact O-N 3.13Å; D57-K59 WeakPolarHBondContact OD1-CA 3.4Å; D57-K59 WeakPolarHBondContact OD1-CB 3.45Å; D57-K59 PolarHBondContact OD1-N 2.75Å; K59-D62 PolarHBondContact O-N 3.02Å; K59-I63 WeakPolarHBondContact O-CG1 3.31Å; K59-I63 PolarHBondContact O-N 3.39Å; K59-I63 VanDerWaalsContact O-N 3.15Å
60K84.9Confident84.5Confident23 Ų2354.6 Ų54.610%0.127%0.268CS..Hα-helixtrans-68.9-40.7177.9-61.9-179.9-167.1165.40111.2D53 V54 D57 D62 I63 Y64 L72 Y90 Y92D53-K60 WeakPolarHBondContact O-CD 3.45Å; D53-K60 PolarHBondContact O-NZ 3.04Å; D53-K60 IonicContact OD1-NZ 3.35Å; D53-K60 PolarHBondContact OD1-NZ 2.84Å; D53-K60 IonicContact OD2-NZ 2.85Å; D53-K60 PolarHBondContact OD2-NZ 2.83Å; V54-K60 HydrophobicContact CG1-CB 4.33Å; V54-K60 CarbonylContact O-C 3.54Å; V54-K60 WeakPolarHBondContact O-CB 3.32Å; D57-K60 HydrophobicContact CB-CB 4.03Å; D57-K60 HydrophobicContact CB-CD 3.89Å; D57-K60 HydrophobicContact CB-CG 3.89Å; D57-K60 PolarHBondContact O-N 3.46Å; D57-K60 VanDerWaalsContact O-N 3.17Å; D57-K60 PolarHBondContact OD1-N 2.87Å; K60-D62 VanDerWaalsContact C-N 3.34Å; K60-D62 PolarHBondContact O-N 3.24Å; K60-I63 PolarHBondContact O-N 3.3Å; K60-Y64 WeakPolarHBondContact O-CB 3.48Å; K60-Y64 PolarHBondContact O-N 3.34Å; K60-L72 HydrophobicContact CB-CD2 4.31Å; K60-Y90 HydrophobicContact CG-CE1 4.32Å; K60-Y92 HydrophobicContact CD-CD2 4.21Å; K60-Y92 HydrophobicContact CD-CE2 4Å
61K86.8Confident83.6Confident43 Ų4354.9 Ų54.919%0.18728%0.276CS..Hα-helixtrans-58.2-45.2174.1179.4177.5174.9179.10111.6Y6 A15 V54 L55 D57 I63 Y64 D65Y6-K61 WeakPolarHBondContact OH-CE 3.32Å; A15-K61 PolarHBondContact O-NZ 2.83Å; V54-K61 PolarHBondContact O-N 2.89Å; V54-K61 VanDerWaalsContact O-N 3.12Å; L55-K61 HydrophobicContact CD2-CG 4.21Å; D57-K61 WeakPolarHBondContact O-CB 3.48Å; D57-K61 PolarHBondContact O-N 3.41Å; K61-I63 PolarHBondContact O-N 3.35Å; K61-Y64 WeakPolarHBondContact O-CB 3.46Å; K61-Y64 PolarHBondContact O-N 3.13Å; K61-D65 VanDerWaalsContact O-CB 3.32Å; K61-D65 WeakPolarHBondContact O-CB 2.99Å; K61-D65 VanDerWaalsContact O-CG 3.3Å; K61-D65 PolarHBondContact O-N 3.3Å
62D84.1Confident82.6Confident74 Ų7454.9 Ų54.940%0.39628%0.276SS..Hα-helixtrans-67.9-34.5180179.352.3000112.9P58 K59 K60 R66P58-D62 VanDerWaalsContact O-CB 3.28Å; P58-D62 WeakPolarHBondContact O-CB 3.25Å; P58-D62 PolarHBondContact O-N 2.8Å; P58-D62 VanDerWaalsContact O-N 3.16Å; K59-D62 PolarHBondContact O-N 3.02Å; K60-D62 VanDerWaalsContact C-N 3.34Å; K60-D62 PolarHBondContact O-N 3.24Å; D62-R66 WeakPolarHBondContact O-CB 3.37Å; D62-R66 VanDerWaalsContact O-CG 3.28Å; D62-R66 WeakPolarHBondContact O-CG 3.34Å; D62-R66 PolarHBondContact O-N 3.15Å; D62-R66 PolarHBondContact O-NE 3.29Å; D62-R66 IonicContact OD1-CZ 3.2Å; D62-R66 IonicContact OD1-NE 3.34Å; D62-R66 PolarHBondContact OD1-NE 3.03Å; D62-R66 IonicContact OD1-NH2 2.6Å; D62-R66 IonicContact OD2-CZ 3Å; D62-R66 IonicContact OD2-NE 4Å; D62-R66 PolarHBondContact OD2-NE 3.07Å; D62-R66 IonicContact OD2-NH2 3.89Å; D62-R66 PolarHBondContact OD2-NH2 2.66Å
63I83.6Confident81.5Confident26 Ų2658.5 Ų58.513%0.13329%0.292CS..Hα-helixtrans-67.3-45.4171.6-66.3166.3000110.3K59 K60 K61 R66 F67 L72 Y90K59-I63 WeakPolarHBondContact O-CG1 3.31Å; K59-I63 PolarHBondContact O-N 3.39Å; K59-I63 VanDerWaalsContact O-N 3.15Å; K60-I63 PolarHBondContact O-N 3.3Å; K61-I63 PolarHBondContact O-N 3.35Å; I63-R66 PolarHBondContact O-N 3.39Å; I63-F67 HydrophobicContact CG2-CD2 4.5Å; I63-F67 PolarHBondContact O-N 3.3Å; I63-L72 HydrophobicContact CB-CD2 4.31Å; I63-L72 HydrophobicContact CG2-CD2 4.05Å; I63-L72 HydrophobicContact CG2-CG 4.37Å; I63-Y90 HydrophobicContact CD1-CD1 3.62Å; I63-Y90 HydrophobicContact CD1-CD2 4.1Å; I63-Y90 HydrophobicContact CD1-CE1 4.01Å; I63-Y90 HydrophobicContact CD1-CE2 4.46Å; I63-Y90 HydrophobicContact CD1-CG 3.68Å
64Y84.9Confident79.8Confident19 Ų1957.9 Ų57.98%0.07530%0.295CS..Hα-helixtrans-62.4-43.2177.8-177.9-107.5000112.9K3 D4 Y5 Y6 V54 L55 K60 K61 R66 G68 E69 L72K3-Y64 PolarHBondContact O-OH 2.6Å; D4-Y64 VanDerWaalsContact CA-OH 3.26Å; D4-Y64 WeakPolarHBondContact CA-OH 3.48Å; Y5-Y64 HydrophobicContact CD2-CD1 4.15Å; Y5-Y64 AromaticContact CD2-CD2 3.52Å; Y5-Y64 HydrophobicContact CD2-CD2 3.52Å; Y5-Y64 AromaticContact CD2-CE1 3.84Å; Y5-Y64 HydrophobicContact CD2-CE1 3.84Å; Y5-Y64 AromaticContact CD2-CE2 3.16Å; Y5-Y64 HydrophobicContact CD2-CE2 3.16Å; Y5-Y64 AromaticContact CD2-CG 4Å; Y5-Y64 HydrophobicContact CD2-CG 4Å; Y5-Y64 AromaticContact CD2-CZ 3.34Å; Y5-Y64 AromaticContact CE2-CD2 3.65Å; Y5-Y64 HydrophobicContact CE2-CD2 3.65Å; Y5-Y64 AromaticContact CE2-CE2 3.46Å; Y5-Y64 HydrophobicContact CE2-CE2 3.46Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.46Å; Y5-Y64 HydrophobicContact CE2-CG 4.44Å; Y5-Y64 HydrophobicContact CG-CE1 4.38Å; Y5-Y64 HydrophobicContact CG-CE2 4.08Å; Y5-Y64 AromaticContact CG-CZ 3.89Å; Y5-Y64 PolarHBondContact N-OH 3.34Å; Y6-Y64 AromaticContact CD2-CE1 3.94Å; Y6-Y64 HydrophobicContact CD2-CE1 3.94Å; Y6-Y64 HydrophobicContact CE2-CD1 4.06Å; Y6-Y64 AromaticContact CE2-CE1 3.75Å; Y6-Y64 HydrophobicContact CE2-CE1 3.75Å; V54-Y64 HydrophobicContact CG1-CD2 4.37Å; V54-Y64 HydrophobicContact CG1-CG 4.03Å; L55-Y64 HydrophobicContact CD2-CD1 3.87Å; L55-Y64 HydrophobicContact CD2-CE1 4.26Å; K60-Y64 WeakPolarHBondContact O-CB 3.48Å; K60-Y64 PolarHBondContact O-N 3.34Å; K61-Y64 WeakPolarHBondContact O-CB 3.46Å; K61-Y64 PolarHBondContact O-N 3.13Å; Y64-R66 PolarHBondContact O-N 3.23Å; Y64-G68 WeakPolarHBondContact O-CA 3.35Å; Y64-G68 PolarHBondContact O-N 3.4Å; Y64-E69 HydrophobicContact CE2-CB 4.42Å; Y64-L72 HydrophobicContact CD2-CD1 3.67Å; Y64-L72 HydrophobicContact CG-CD1 4.24Å
65D85.8Confident77.8Confident49 Ų4961 Ų6126%0.26233%0.328SS..Hα-helixtrans-65.7-29.2-178.8-80.5-25.1000112.3Y6 K13 K61Y6-D65 VanDerWaalsContact CE2-OD1 3.27Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.36Å; Y6-D65 VanDerWaalsContact OH-CG 3.29Å; Y6-D65 PolarHBondContact OH-OD1 3.16Å; Y6-D65 PolarHBondContact OH-OD2 2.65Å; K13-D65 WeakPolarHBondContact CE-OD1 3.45Å; K13-D65 PolarHBondContact NZ-O 3.18Å; K13-D65 VanDerWaalsContact NZ-O 3.13Å; K61-D65 VanDerWaalsContact O-CB 3.32Å; K61-D65 WeakPolarHBondContact O-CB 2.99Å; K61-D65 VanDerWaalsContact O-CG 3.3Å; K61-D65 PolarHBondContact O-N 3.3Å
66R81.6Confident75.7Confident153 Ų15364.3 Ų64.358%0.57736%0.362SS*.Hα-helixtrans-89.7-37.6-179.7-71-170.6-78166.4-1.1114.1D62 I63 Y64D62-R66 WeakPolarHBondContact O-CB 3.37Å; D62-R66 VanDerWaalsContact O-CG 3.28Å; D62-R66 WeakPolarHBondContact O-CG 3.34Å; D62-R66 PolarHBondContact O-N 3.15Å; D62-R66 PolarHBondContact O-NE 3.29Å; D62-R66 IonicContact OD1-CZ 3.2Å; D62-R66 IonicContact OD1-NE 3.34Å; D62-R66 PolarHBondContact OD1-NE 3.03Å; D62-R66 IonicContact OD1-NH2 2.6Å; D62-R66 IonicContact OD2-CZ 3Å; D62-R66 IonicContact OD2-NE 4Å; D62-R66 PolarHBondContact OD2-NE 3.07Å; D62-R66 IonicContact OD2-NH2 3.89Å; D62-R66 PolarHBondContact OD2-NH2 2.66Å; I63-R66 PolarHBondContact O-N 3.39Å; Y64-R66 PolarHBondContact O-N 3.23Å
67F79.3Confident73.5Confident136 Ų13667.1 Ų67.160%0.59640%0.396SS*.Hα-helixtrans-128.30.9-168.8-59.4-75.4000114.4I63 G71I63-F67 HydrophobicContact CG2-CD2 4.5Å; I63-F67 PolarHBondContact O-N 3.3Å; F67-G71 PolarHBondContact O-N 3.26Å
68G80.9Confident71.1Confident27 Ų2768.1 Ų68.128%0.27842%0.419SS..Hα-helixtrans66.1-165.7-177.300000113.5Y64 E70 G71Y64-G68 WeakPolarHBondContact O-CA 3.35Å; Y64-G68 PolarHBondContact O-N 3.4Å; G68-E70 PolarHBondContact O-N 2.84Å; G68-G71 PolarHBondContact O-N 3.36Å
69E77.5Confident68.9Low24 Ų2468 Ų6811%0.11244%0.435CS..Hα-helixtrans-59.4-34.9177.8-173.2-170.2179.500112.2G2 K3 Y64 G71 L72 K73G2-E69 WeakPolarHBondContact CA-OE2 3.45Å; K3-E69 PolarHBondContact N-OE2 2.84Å; Y64-E69 HydrophobicContact CE2-CB 4.42Å; E69-G71 VanDerWaalsContact C-N 3.28Å; E69-G71 PolarHBondContact O-N 3.44Å; E69-L72 WeakPolarHBondContact O-CB 3.42Å; E69-L72 PolarHBondContact O-N 2.91Å; E69-L72 VanDerWaalsContact O-N 3.11Å; E69-K73 HydrophobicContact CG-CD 4.18Å; E69-K73 PolarHBondContact O-N 3.08Å; E69-K73 VanDerWaalsContact O-N 3.1Å; E69-K73 WeakPolarHBondContact OE1-CE 3.37Å; E69-K73 IonicContact OE1-NZ 3.99Å; E69-K73 PolarHBondContact OE1-NZ 2.91Å
70E72.3Confident66.4Low151 Ų15163.3 Ų63.371%0.70643%0.43SS*.Hα-helixtrans-65.6-31.3-178.6-65.1-179.5178.500112.3G68 L72 G74G68-E70 PolarHBondContact O-N 2.84Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-G74 PolarHBondContact O-N 3.06Å
71G68.8Low64.2Low23 Ų2368.6 Ų68.624%0.23747%0.467CS..Hα-helixtrans-74-22.1174.100000114.6F67 G68 E69F67-G71 PolarHBondContact O-N 3.26Å; G68-G71 PolarHBondContact O-N 3.36Å; E69-G71 VanDerWaalsContact C-N 3.28Å; E69-G71 PolarHBondContact O-N 3.44Å
72L68.2Low61.9Low0 Ų073.1 Ų73.10%050%0.498CS..Hα-helixtrans-79.7-40.7171.8-70.2164.7000110.7Y5 V54 K60 I63 Y64 E69 E70 G74 Y92Y5-L72 HydrophobicContact CE2-CD1 3.82Å; V54-L72 HydrophobicContact CB-CD1 4.33Å; V54-L72 HydrophobicContact CG1-CD1 3.48Å; V54-L72 VanDerWaalsContact CG1-CD1 3.48Å; V54-L72 HydrophobicContact CG1-CD2 4.41Å; V54-L72 HydrophobicContact CG2-CD1 3.83Å; K60-L72 HydrophobicContact CB-CD2 4.31Å; I63-L72 HydrophobicContact CB-CD2 4.31Å; I63-L72 HydrophobicContact CG2-CD2 4.05Å; I63-L72 HydrophobicContact CG2-CG 4.37Å; Y64-L72 HydrophobicContact CD2-CD1 3.67Å; Y64-L72 HydrophobicContact CG-CD1 4.24Å; E69-L72 WeakPolarHBondContact O-CB 3.42Å; E69-L72 PolarHBondContact O-N 2.91Å; E69-L72 VanDerWaalsContact O-N 3.11Å; E70-L72 VanDerWaalsContact C-N 3.34Å; L72-G74 PolarHBondContact O-N 2.82Å; L72-Y92 HydrophobicContact CB-CD1 4.12Å; L72-Y92 HydrophobicContact CB-CG 4.5Å; L72-Y92 WeakPolarHBondContact O-CA 3.47Å; L72-Y92 VanDerWaalsContact O-CB 3.27Å; L72-Y92 WeakPolarHBondContact O-CB 3.18Å; L72-Y92 PolarHBondContact O-N 3.29Å
73K67.4Low59.9Low103 Ų10373.9 Ų73.945%0.44852%0.524SS..SBendtrans-83.613.9-176.7-67.8-177.5175.6176.30114.3E50 E69 G75E50-K73 IonicContact OE1-NZ 3.93Å; E69-K73 HydrophobicContact CG-CD 4.18Å; E69-K73 PolarHBondContact O-N 3.08Å; E69-K73 VanDerWaalsContact O-N 3.1Å; E69-K73 WeakPolarHBondContact OE1-CE 3.37Å; E69-K73 IonicContact OE1-NZ 3.99Å; E69-K73 PolarHBondContact OE1-NZ 2.91Å; K73-G75 PolarHBondContact O-N 3.47Å
74G52Low57.5Low28 Ų2876.2 Ų76.229%0.28956%0.555SS.*THydrogen-bonded Turntrans-64.294.1-175.500000113.3E70 L72 T89 S91E70-G74 PolarHBondContact O-N 3.06Å; L72-G74 PolarHBondContact O-N 2.82Å; G74-T89 WeakPolarHBondContact O-CG2 3.43Å; G74-S91 WeakPolarHBondContact O-CB 3.28Å
75G46.8Very low55.4Low66 Ų6681.8 Ų81.868%0.6860%0.596SS**THydrogen-bonded Turntrans121.340.2157.600000117.7K73K73-G75 PolarHBondContact O-N 3.47Å
76G44.6Very low53Low71 Ų7181.8 Ų81.873%0.73261%0.608SS**  trans-160.793173.200000115
77G39.8Very low51Low90 Ų9081.4 Ų81.493%0.92863%0.625SS**  trans148.170.816400000115.4
78G34.6Very low49.3Very low74 Ų7478.6 Ų78.676%0.76364%0.635SS**  trans-172.7107.516800000110.2G80G78-G80 PolarHBondContact O-N 2.75Å
79G38.2Very low47.7Very low94 Ų9482.3 Ų82.397%0.96965%0.652SS**  trans-57.2122.4-179.800000112
80G32.1Very low46.4Very low55 Ų5585.9 Ų85.957%0.56767%0.665SS**  trans-172.2127.7173.400000109.6G78 T82G78-G80 PolarHBondContact O-N 2.75Å; G80-T82 PolarHBondContact O-N 2.8Å; G80-T82 VanDerWaalsContact O-N 3.11Å
81P39.1Very low45.5Very low135 Ų13581.7 Ų81.788%0.87765%0.653SS**  trans-86.486.8-171.834.2-31000110
82T37.9Very low45Very low137 Ų13781.4 Ų81.484%0.8464%0.644SS**  trans-157.9102.4164.520.90000109.2G80G80-T82 PolarHBondContact O-N 2.8Å; G80-T82 VanDerWaalsContact O-N 3.11Å
83G42.3Very low44.6Very low90 Ų9084.9 Ų84.993%0.92867%0.666SS**  trans-69.2139174.300000111.8
84G32.6Very low44.5Very low76 Ų7682.5 Ų82.578%0.78466%0.656SS**  trans-153.294.5170.900000109.6G86G84-G86 PolarHBondContact O-N 3.02Å
85S42.3Very low44.7Very low136 Ų13688.9 Ų88.995%0.95168%0.678SS**  trans-78.3110.4173.6-52.80000109.5
86G35.2Very low45.2Very low49 Ų4987.2 Ų87.251%0.50566%0.661SS.*  trans-120.4140.1172.100000111.2G84 G88G84-G86 PolarHBondContact O-N 3.02Å; G86-G88 PolarHBondContact O-N 2.83Å
87P38.6Very low46.6Very low144 Ų14488.1 Ų88.194%0.93565%0.649SS**THydrogen-bonded Turntrans-81.1108.3-176.231.6-31000110.4
88G44.1Very low48.4Very low78 Ų7884.6 Ų84.680%0.80461%0.609SS**THydrogen-bonded Turntrans145.81.6171.100000117.4G86 Y90G86-G88 PolarHBondContact O-N 2.83Å; G88-Y90 PolarHBondContact O-N 3.37Å
89T47.2Very low50.5Low104 Ų10485 Ų8564%0.63859%0.591SS**  trans-77.7106.9-178.1-50.50000111.7G74 S91G74-T89 WeakPolarHBondContact O-CG2 3.43Å; T89-S91 PolarHBondContact O-N 3.3Å
90Y50.6Low52.4Low99 Ų9982.9 Ų82.939%0.38856%0.564SS.*  trans-82.9100.5168.9-164-90.1000108.4K60 I63 G88K60-Y90 HydrophobicContact CG-CE1 4.32Å; I63-Y90 HydrophobicContact CD1-CD1 3.62Å; I63-Y90 HydrophobicContact CD1-CD2 4.1Å; I63-Y90 HydrophobicContact CD1-CE1 4.01Å; I63-Y90 HydrophobicContact CD1-CE2 4.46Å; I63-Y90 HydrophobicContact CD1-CG 3.68Å; G88-Y90 PolarHBondContact O-N 3.37Å
91S52.6Low54.6Low63 Ų6381.1 Ų81.144%0.44154%0.542SS..  trans-96.5105.7174.7177.40000109.2G74 T89G74-S91 WeakPolarHBondContact O-CB 3.28Å; T89-S91 PolarHBondContact O-N 3.3Å
92Y58.5Low56.7Low17 Ų1775.6 Ų75.67%0.06750%0.504CS..  trans-95.8117.3171.7174.5-97.8000110.1D53 V54 K60 L72 F94D53-Y92 WeakPolarHBondContact OD2-CE2 3.4Å; D53-Y92 VanDerWaalsContact OD2-CZ 3.24Å; D53-Y92 PolarHBondContact OD2-OH 2.95Å; V54-Y92 HydrophobicContact CG2-CD1 4.46Å; V54-Y92 HydrophobicContact CG2-CE1 3.72Å; K60-Y92 HydrophobicContact CD-CD2 4.21Å; K60-Y92 HydrophobicContact CD-CE2 4Å; L72-Y92 HydrophobicContact CB-CD1 4.12Å; L72-Y92 HydrophobicContact CB-CG 4.5Å; L72-Y92 WeakPolarHBondContact O-CA 3.47Å; L72-Y92 VanDerWaalsContact O-CB 3.27Å; L72-Y92 WeakPolarHBondContact O-CB 3.18Å; L72-Y92 PolarHBondContact O-N 3.29Å; Y92-F94 HydrophobicContact CE1-CB 4.25Å; Y92-F94 WeakPolarHBondContact OH-CD2 3.32Å
93T60.1Low58.7Low74 Ų7471.2 Ų71.245%0.45448%0.482SS..  trans-113.8125.5165.9-60.60000106.9H95T93-H95 WeakPolarHBondContact CB-NE2 3.39Å; T93-H95 VanDerWaalsContact CG2-CE1 3.42Å; T93-H95 WeakPolarHBondContact CG2-CE1 3.27Å; T93-H95 PolarHBondContact O-CD2 3.49Å; T93-H95 PolarHBondContact O-N 2.9Å
94F64.8Low60.4Low52 Ų5274.8 Ų74.823%0.22847%0.474CS..  trans-63.896.8174.7-178.1-105000109.1A49 E50 D53 Y92 G96 P98 I101A49-F94 HydrophobicContact CB-CZ 4.14Å; E50-F94 HydrophobicContact CB-CD2 3.99Å; E50-F94 HydrophobicContact CB-CE2 4.02Å; E50-F94 HydrophobicContact CB-CG 4.35Å; E50-F94 HydrophobicContact CB-CZ 4.39Å; E50-F94 HydrophobicContact CG-CB 4.3Å; E50-F94 HydrophobicContact CG-CD2 3.94Å; E50-F94 HydrophobicContact CG-CE2 4.47Å; E50-F94 HydrophobicContact CG-CG 4.11Å; D53-F94 HydrophobicContact CB-CE2 4.44Å; Y92-F94 HydrophobicContact CE1-CB 4.25Å; Y92-F94 WeakPolarHBondContact OH-CD2 3.32Å; F94-G96 WeakPolarHBondContact CE1-O 3.28Å; F94-G96 WeakPolarHBondContact CZ-O 3.42Å; F94-P98 HydrophobicContact CE1-CG 4.22Å; F94-P98 HydrophobicContact CZ-CG 4.35Å; F94-I101 HydrophobicContact CE2-CD1 3.61Å; F94-I101 HydrophobicContact CZ-CD1 3.91Å
95H56.4Low62.7Low163 Ų16373.3 Ų73.376%0.75545%0.447SS*.  trans-99.5-2.2175.1-66-63.4000112.4T93 D97T93-H95 WeakPolarHBondContact CB-NE2 3.39Å; T93-H95 VanDerWaalsContact CG2-CE1 3.42Å; T93-H95 WeakPolarHBondContact CG2-CE1 3.27Å; T93-H95 PolarHBondContact O-CD2 3.49Å; T93-H95 PolarHBondContact O-N 2.9Å; H95-D97 PolarHBondContact O-N 2.58Å
96G58.5Low64.6Low31 Ų3168.3 Ų68.332%0.3241%0.408SS..  trans-72.1127.1179.800000110.7F94 P98F94-G96 WeakPolarHBondContact CE1-O 3.28Å; F94-G96 WeakPolarHBondContact CZ-O 3.42Å; G96-P98 WeakPolarHBondContact O-CD 3.25Å
97D73.7Confident66.1Low90 Ų9068.7 Ų68.748%0.48141%0.411SS..  trans-64.4121.9162.9179.4-6.3000107.6H95 H99 A100 I101H95-D97 PolarHBondContact O-N 2.58Å; D97-H99 PolarHBondContact O-N 3.27Å; D97-H99 VanDerWaalsContact O-N 3.08Å; D97-H99 WeakPolarHBondContact OD1-CB 3.42Å; D97-H99 IonicContact OD1-CD2 2.75Å; D97-H99 IonicContact OD1-CG 3.58Å; D97-H99 PolarHBondContact OD1-N 3.49Å; D97-A100 HydrophobicContact CB-CB 3.83Å; D97-A100 WeakPolarHBondContact O-CA 3.2Å; D97-A100 WeakPolarHBondContact O-CB 3.45Å; D97-A100 PolarHBondContact O-N 3.15Å; D97-I101 PolarHBondContact O-N 2.64Å; D97-I101 VanDerWaalsContact O-N 3.07Å
98P77.3Confident67Low15 Ų1565.1 Ų65.110%0.09740%0.401CS..Hα-helixtrans-51.3-32.6175.7-23.930.2000112.7F45 K46 A49 F94 G96 F102F45-P98 HydrophobicContact CD1-CB 3.87Å; F45-P98 HydrophobicContact CE1-CB 3.68Å; K46-P98 HydrophobicContact CB-CG 4.37Å; K46-P98 HydrophobicContact CG-CG 3.67Å; A49-P98 HydrophobicContact CB-CB 3.85Å; F94-P98 HydrophobicContact CE1-CG 4.22Å; F94-P98 HydrophobicContact CZ-CG 4.35Å; G96-P98 WeakPolarHBondContact O-CD 3.25Å; P98-F102 WeakPolarHBondContact O-CB 3.45Å; P98-F102 PolarHBondContact O-N 3.35Å
99H79.5Confident67.5Low83 Ų8371.3 Ų71.338%0.38440%0.4SS..Hα-helixtrans-73.4-31.1176.1-67.4-81.2000112.8D97 A103D97-H99 PolarHBondContact O-N 3.27Å; D97-H99 VanDerWaalsContact O-N 3.08Å; D97-H99 WeakPolarHBondContact OD1-CB 3.42Å; D97-H99 IonicContact OD1-CD2 2.75Å; D97-H99 IonicContact OD1-CG 3.58Å; D97-H99 PolarHBondContact OD1-N 3.49Å; H99-A103 WeakPolarHBondContact O-CB 3.11Å; H99-A103 PolarHBondContact O-N 2.89Å
100A77.7Confident68Low49 Ų4972 Ų7241%0.40540%0.4SS..Hα-helixtrans-70.7-43.3174.900000111.5D97 F102 A103 E104D97-A100 HydrophobicContact CB-CB 3.83Å; D97-A100 WeakPolarHBondContact O-CA 3.2Å; D97-A100 WeakPolarHBondContact O-CB 3.45Å; D97-A100 PolarHBondContact O-N 3.15Å; A100-F102 VanDerWaalsContact C-N 3.3Å; A100-F102 PolarHBondContact O-N 3.04Å; A100-A103 PolarHBondContact O-N 3.24Å; A100-E104 VanDerWaalsContact O-CB 3.31Å; A100-E104 WeakPolarHBondContact O-CB 3.36Å; A100-E104 PolarHBondContact O-N 3.01Å
101I78.8Confident68.6Low19 Ų1968.3 Ų68.310%0.09739%0.388CS..Hα-helixtrans-63.1-40.4175.2-60.8172.8000110.2A49 Y52 D53 F94 D97 F105A49-I101 HydrophobicContact CB-CD1 4.35Å; Y52-I101 HydrophobicContact CD1-CG2 3.97Å; Y52-I101 HydrophobicContact CE1-CG2 4.47Å; D53-I101 HydrophobicContact CB-CD1 4.14Å; F94-I101 HydrophobicContact CE2-CD1 3.61Å; F94-I101 HydrophobicContact CZ-CD1 3.91Å; D97-I101 PolarHBondContact O-N 2.64Å; D97-I101 VanDerWaalsContact O-N 3.07Å; I101-F105 WeakPolarHBondContact O-CB 3.45Å; I101-F105 PolarHBondContact O-N 3.18Å
102F81.6Confident68.8Low18 Ų1867.7 Ų67.78%0.07938%0.378CS..Hα-helixtrans-62.2-48.2172.8-175.8-90.3000112Y24 A28 L29 H32 F45 P98 A100 E104 F105 F106 P111 F112Y24-F102 PolarHBondContact OH-N 3.16Å; A28-F102 HydrophobicContact CB-CD2 4.03Å; A28-F102 HydrophobicContact CB-CE2 4.12Å; L29-F102 HydrophobicContact CD2-CE2 4.43Å; L29-F102 HydrophobicContact CD2-CZ 4.32Å; H32-F102 AromaticContact CD2-CE1 3.94Å; H32-F102 AromaticContact CD2-CE2 3.7Å; H32-F102 AromaticContact CD2-CZ 3.64Å; H32-F102 AromaticContact NE2-CE1 3.8Å; H32-F102 AromaticContact NE2-CZ 3.98Å; F45-F102 AromaticContact CE2-CD2 4Å; F45-F102 HydrophobicContact CE2-CD2 4Å; F45-F102 HydrophobicContact CZ-CB 4.02Å; F45-F102 AromaticContact CZ-CD2 3.9Å; F45-F102 HydrophobicContact CZ-CD2 3.9Å; F45-F102 HydrophobicContact CZ-CG 4.14Å; P98-F102 WeakPolarHBondContact O-CB 3.45Å; P98-F102 PolarHBondContact O-N 3.35Å; A100-F102 VanDerWaalsContact C-N 3.3Å; A100-F102 PolarHBondContact O-N 3.04Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E104 PolarHBondContact O-N 3.3Å; F102-F105 PolarHBondContact O-N 3.33Å; F102-F106 HydrophobicContact CD1-CD2 4.04Å; F102-F106 AromaticContact CD2-CD2 3.62Å; F102-F106 HydrophobicContact CD2-CD2 3.62Å; F102-F106 AromaticContact CD2-CE2 3.51Å; F102-F106 HydrophobicContact CD2-CE2 3.51Å; F102-F106 AromaticContact CE1-CD2 3.93Å; F102-F106 HydrophobicContact CE1-CD2 3.93Å; F102-F106 HydrophobicContact CE1-CE2 4.48Å; F102-F106 AromaticContact CE2-CD2 3.51Å; F102-F106 HydrophobicContact CE2-CD2 3.51Å; F102-F106 AromaticContact CE2-CE2 3.24Å; F102-F106 HydrophobicContact CE2-CE2 3.24Å; F102-F106 HydrophobicContact CE2-CZ 4.17Å; F102-F106 AromaticContact CG-CD2 3.9Å; F102-F106 HydrophobicContact CG-CD2 3.9Å; F102-F106 HydrophobicContact CG-CE2 4.26Å; F102-F106 AromaticContact CZ-CD2 3.68Å; F102-F106 HydrophobicContact CZ-CD2 3.68Å; F102-F106 AromaticContact CZ-CE2 3.79Å; F102-F106 HydrophobicContact CZ-CE2 3.79Å; F102-F106 HydrophobicContact CZ-CG 4.45Å; F102-F106 WeakPolarHBondContact O-CB 3.43Å; F102-F106 VanDerWaalsContact O-CD2 3.3Å; F102-F106 WeakPolarHBondContact O-CD2 3.14Å; F102-F106 PolarHBondContact O-N 2.81Å; F102-P111 HydrophobicContact CE1-CG 3.93Å; F102-P111 HydrophobicContact CZ-CG 3.54Å; F102-F112 HydrophobicContact CZ-CE2 4.37Å; F102-F112 HydrophobicContact CZ-CZ 4.44Å
103A79.5Confident68.5Low46 Ų4674.2 Ų74.238%0.3841%0.409SS..Hα-helixtrans-63.7-39.2-179.900000112.4H99 A100 G107 G108H99-A103 WeakPolarHBondContact O-CB 3.11Å; H99-A103 PolarHBondContact O-N 2.89Å; A100-A103 PolarHBondContact O-N 3.24Å; A103-G107 CarbonylContact O-C 3.57Å; A103-G107 VanDerWaalsContact O-CA 3.29Å; A103-G107 WeakPolarHBondContact O-CA 3.23Å; A103-G107 PolarHBondContact O-N 2.9Å; A103-G108 PolarHBondContact O-N 2.78Å
104E79.1Confident68Low165 Ų16579.7 Ų79.777%0.77143%0.429SS*.Hα-helixtrans-66.2-47.2174.7-174.9176.2174.700111A100 F102 F106 G107A100-E104 VanDerWaalsContact O-CB 3.31Å; A100-E104 WeakPolarHBondContact O-CB 3.36Å; A100-E104 PolarHBondContact O-N 3.01Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E104 PolarHBondContact O-N 3.3Å; E104-F106 PolarHBondContact O-N 3.13Å; E104-G107 PolarHBondContact O-N 2.87Å
105F81.1Confident67Low45 Ų4583.6 Ų83.620%0.19745%0.447CS..Hα-helixtrans-63.6-37.8179.6-175.2-89.9000113.3K21 Y24 R25 Y52 I101 F102K21-F105 HydrophobicContact CB-CE2 4.29Å; K21-F105 HydrophobicContact CB-CZ 4.44Å; K21-F105 HydrophobicContact CG-CE2 4.25Å; K21-F105 WeakPolarHBondContact O-CZ 3.44Å; Y24-F105 AromaticContact CD1-CD1 3.94Å; Y24-F105 HydrophobicContact CD1-CD1 3.94Å; Y24-F105 AromaticContact CD1-CD2 3.64Å; Y24-F105 HydrophobicContact CD1-CD2 3.64Å; Y24-F105 AromaticContact CD1-CE1 3.93Å; Y24-F105 HydrophobicContact CD1-CE1 3.93Å; Y24-F105 AromaticContact CD1-CE2 3.63Å; Y24-F105 HydrophobicContact CD1-CE2 3.63Å; Y24-F105 AromaticContact CD1-CG 3.8Å; Y24-F105 HydrophobicContact CD1-CG 3.8Å; Y24-F105 AromaticContact CD1-CZ 3.78Å; Y24-F105 HydrophobicContact CD1-CZ 3.78Å; Y24-F105 HydrophobicContact CE1-CB 3.79Å; Y24-F105 AromaticContact CE1-CD1 3.77Å; Y24-F105 HydrophobicContact CE1-CD1 3.77Å; Y24-F105 AromaticContact CE1-CD2 3.69Å; Y24-F105 HydrophobicContact CE1-CD2 3.69Å; Y24-F105 HydrophobicContact CE1-CE1 4.24Å; Y24-F105 HydrophobicContact CE1-CE2 4.18Å; Y24-F105 AromaticContact CE1-CG 3.47Å; Y24-F105 HydrophobicContact CE1-CG 3.47Å; Y24-F105 VanDerWaalsContact CE1-CG 3.47Å; Y24-F105 HydrophobicContact CE1-CZ 4.43Å; R25-F105 HydrophobicContact CB-CE1 3.83Å; R25-F105 HydrophobicContact CB-CZ 4.05Å; R25-F105 HydrophobicContact CG-CE1 4.25Å; Y52-F105 AromaticContact CE1-CD2 3.76Å; Y52-F105 HydrophobicContact CE1-CD2 3.76Å; Y52-F105 HydrophobicContact CE1-CE2 4.26Å; Y52-F105 HydrophobicContact CE2-CD2 4.26Å; Y52-F105 AromaticContact CE2-CE2 3.93Å; Y52-F105 HydrophobicContact CE2-CE2 3.93Å; Y52-F105 AromaticContact CZ-CD2 3.53Å; Y52-F105 AromaticContact CZ-CE2 3.6Å; Y52-F105 WeakPolarHBondContact OH-CD2 3.43Å; Y52-F105 WeakPolarHBondContact OH-CE2 3.28Å; I101-F105 WeakPolarHBondContact O-CB 3.45Å; I101-F105 PolarHBondContact O-N 3.18Å; F102-F105 PolarHBondContact O-N 3.33Å
106F81.2Confident66.6Low30 Ų3080.3 Ų80.313%0.13243%0.43CS..THydrogen-bonded Turntrans-96.82.9178.7-69-77.5000113.5R25 L29 F102 E104 G108 R109 P111R25-F106 HydrophobicContact CB-CZ 4.42Å; R25-F106 HydrophobicContact CG-CE1 3.91Å; R25-F106 HydrophobicContact CG-CZ 3.85Å; L29-F106 HydrophobicContact CD1-CZ 4.4Å; L29-F106 HydrophobicContact CD2-CZ 4.24Å; L29-F106 HydrophobicContact CG-CZ 4.09Å; F102-F106 HydrophobicContact CD1-CD2 4.04Å; F102-F106 AromaticContact CD2-CD2 3.62Å; F102-F106 HydrophobicContact CD2-CD2 3.62Å; F102-F106 AromaticContact CD2-CE2 3.51Å; F102-F106 HydrophobicContact CD2-CE2 3.51Å; F102-F106 AromaticContact CE1-CD2 3.93Å; F102-F106 HydrophobicContact CE1-CD2 3.93Å; F102-F106 HydrophobicContact CE1-CE2 4.48Å; F102-F106 AromaticContact CE2-CD2 3.51Å; F102-F106 HydrophobicContact CE2-CD2 3.51Å; F102-F106 AromaticContact CE2-CE2 3.24Å; F102-F106 HydrophobicContact CE2-CE2 3.24Å; F102-F106 HydrophobicContact CE2-CZ 4.17Å; F102-F106 AromaticContact CG-CD2 3.9Å; F102-F106 HydrophobicContact CG-CD2 3.9Å; F102-F106 HydrophobicContact CG-CE2 4.26Å; F102-F106 AromaticContact CZ-CD2 3.68Å; F102-F106 HydrophobicContact CZ-CD2 3.68Å; F102-F106 AromaticContact CZ-CE2 3.79Å; F102-F106 HydrophobicContact CZ-CE2 3.79Å; F102-F106 HydrophobicContact CZ-CG 4.45Å; F102-F106 WeakPolarHBondContact O-CB 3.43Å; F102-F106 VanDerWaalsContact O-CD2 3.3Å; F102-F106 WeakPolarHBondContact O-CD2 3.14Å; F102-F106 PolarHBondContact O-N 2.81Å; E104-F106 PolarHBondContact O-N 3.13Å; F106-G108 VanDerWaalsContact C-N 3.31Å; F106-G108 PolarHBondContact O-N 2.96Å; F106-R109 PolarHBondContact O-N 3.41Å; F106-P111 HydrophobicContact CB-CB 4.38Å; F106-P111 HydrophobicContact CB-CG 4.37Å; F106-P111 HydrophobicContact CD1-CB 3.41Å; F106-P111 VanDerWaalsContact CD1-CB 3.41Å; F106-P111 HydrophobicContact CD1-CG 3.98Å; F106-P111 HydrophobicContact CD2-CG 4.35Å; F106-P111 HydrophobicContact CE1-CB 3.71Å; F106-P111 HydrophobicContact CE1-CG 4.31Å; F106-P111 HydrophobicContact CG-CB 3.91Å; F106-P111 HydrophobicContact CG-CG 3.99Å; F106-P111 HydrophobicContact CZ-CB 4.47Å
107G68.3Low65.7Low57 Ų5781.9 Ų81.959%0.58845%0.447SS*.THydrogen-bonded Turntrans59.234.217600000114.6A103 E104 R109A103-G107 CarbonylContact O-C 3.57Å; A103-G107 VanDerWaalsContact O-CA 3.29Å; A103-G107 WeakPolarHBondContact O-CA 3.23Å; A103-G107 PolarHBondContact O-N 2.9Å; E104-G107 PolarHBondContact O-N 2.87Å; G107-R109 PolarHBondContact O-N 3.25Å; G107-R109 VanDerWaalsContact O-N 3.14Å
108G57Low64.3Low70 Ų7082.3 Ų82.372%0.72246%0.462SS*.THydrogen-bonded Turntrans65.710.7-179.600000115.6A103 F106A103-G108 PolarHBondContact O-N 2.78Å; F106-G108 VanDerWaalsContact C-N 3.31Å; F106-G108 PolarHBondContact O-N 2.96Å
109R54.2Low62.6Low207 Ų20792.3 Ų92.378%0.78150%0.498SS*.SBendtrans-89.9139.3175.1-62.2178.8-179.2-175.7-0.9109.3F106 G107 P111F106-R109 PolarHBondContact O-N 3.41Å; G107-R109 PolarHBondContact O-N 3.25Å; G107-R109 VanDerWaalsContact O-N 3.14Å; R109-P111 WeakPolarHBondContact O-CD 3.19Å
110N58.3Low60.8Low120 Ų12096.3 Ų96.364%0.64252%0.522SS*.  trans-63.5101.4173.9-84-21.5000110.3F112 E113N110-F112 PolarHBondContact O-N 2.89Å; N110-F112 VanDerWaalsContact O-N 3.14Å; N110-E113 PolarHBondContact O-N 3.29Å
111P62.2Low58.7Low21 Ų2197.7 Ų97.714%0.13654%0.542CS..THydrogen-bonded Turntrans-75.4-8.7-172.132.8-30.8000112.1L29 F102 F106 R109L29-P111 HydrophobicContact CD2-CB 4.03Å; L29-P111 HydrophobicContact CD2-CG 3.8Å; F102-P111 HydrophobicContact CE1-CG 3.93Å; F102-P111 HydrophobicContact CZ-CG 3.54Å; F106-P111 HydrophobicContact CB-CB 4.38Å; F106-P111 HydrophobicContact CB-CG 4.37Å; F106-P111 HydrophobicContact CD1-CB 3.41Å; F106-P111 VanDerWaalsContact CD1-CB 3.41Å; F106-P111 HydrophobicContact CD1-CG 3.98Å; F106-P111 HydrophobicContact CD2-CG 4.35Å; F106-P111 HydrophobicContact CE1-CB 3.71Å; F106-P111 HydrophobicContact CE1-CG 4.31Å; F106-P111 HydrophobicContact CG-CB 3.91Å; F106-P111 HydrophobicContact CG-CG 3.99Å; F106-P111 HydrophobicContact CZ-CB 4.47Å; R109-P111 WeakPolarHBondContact O-CD 3.19Å
112F57.8Low56.4Low49 Ų49100.8 Ų100.822%0.21558%0.578CS.*Hα-helixtrans-73.7-25.7178.4-60.5-76.4000113.4L29 H32 K35 F102 N110 F116L29-F112 HydrophobicContact CD2-CD1 4.33Å; L29-F112 HydrophobicContact CD2-CE1 3.94Å; L29-F112 HydrophobicContact CD2-CZ 4.18Å; H32-F112 HydrophobicContact CB-CE1 4.49Å; H32-F112 HydrophobicContact CB-CZ 3.86Å; H32-F112 AromaticContact CG-CZ 3.74Å; H32-F112 AromaticContact ND1-CZ 3.81Å; K35-F112 HydrophobicContact CB-CE1 4.31Å; K35-F112 HydrophobicContact CD-CD1 4.36Å; K35-F112 HydrophobicContact CD-CE1 4.13Å; F102-F112 HydrophobicContact CZ-CE2 4.37Å; F102-F112 HydrophobicContact CZ-CZ 4.44Å; N110-F112 PolarHBondContact O-N 2.89Å; N110-F112 VanDerWaalsContact O-N 3.14Å; F112-F116 PolarHBondContact O-N 3.5Å; F112-F116 VanDerWaalsContact O-N 3.09Å
113E52.4Low54.4Low154 Ų154108 Ų10872%0.7261%0.614SS**Hα-helixtrans-70-37.5179.4-78.1-170.3159.300112.6N110 F115 G117N110-E113 PolarHBondContact O-N 3.29Å; E113-F115 PolarHBondContact O-N 3.15Å; E113-G117 PolarHBondContact O-N 3.31Å
114Q49.6Very low52.1Low189 Ų189113.5 Ų113.588%0.88364%0.637SS**Hα-helixtrans-77-20.5-176.1-172.3162.4-10.300113.5
115F42.3Very low50.1Low135 Ų135113.5 Ų113.559%0.59264%0.637SS**Hα-helixtrans-110.5-25.2-175.4-149.4-83.5000113.8E113E113-F115 PolarHBondContact O-N 3.15Å
116F47.8Very low47.8Very low93 Ų93119.5 Ų119.541%0.40867%0.671SS.*Hα-helixtrans-1271.8-174.7-67.3-80.1000114.6K35 F112K35-F116 VanDerWaalsContact NZ-CD2 3.3Å; F112-F116 PolarHBondContact O-N 3.5Å; F112-F116 VanDerWaalsContact O-N 3.09Å
117G41.4Very low45.9Very low65 Ų65125.7 Ų125.767%0.6770%0.703SS**SBendtrans-82-1.9177.500000115.9E113E113-G117 PolarHBondContact O-N 3.31Å
118A44.3Very low44.2Very low98 Ų98132.3 Ų132.381%0.8172%0.718SS**  trans-125.576.1-176.500000111.4
119R40.6Very low43.6Very low225 Ų225134.9 Ų134.985%0.84972%0.72SS**  trans-137.266.4162.3-155.1177.1-178.41720.6110.3
120N41.2Very low42.7Very low167 Ų167132.7 Ų132.789%0.89372%0.724SS**SBendtrans-149.9106.2155.6-162.931.3000110.9
121G34.1Very low41.9Very low79 Ų79132.1 Ų132.181%0.81472%0.721SS**SBendtrans107.6112.1156.400000117.2
122G31.3Very low41Very low83 Ų83136.1 Ų136.186%0.85675%0.747SS**  trans107.190.114900000115.5
123M38.2Very low40.3Very low170 Ų170139.5 Ų139.584%0.83776%0.762SS**  trans-74133.4165.8-148.3129.7162.500108.4
124D32.6Very low39.8Very low161 Ų161136.5 Ų136.586%0.86176%0.763SS**  trans-152.8138.3139.8-86.7-39.9000108.8
125E36.7Very low39.4Very low166 Ų166136.6 Ų136.678%0.77676%0.763SS**  trans-72.2140.2-161.6-67.9163.913000112.6
126D33.4Very low39.2Very low170 Ų170139.8 Ų139.891%0.90978%0.777SS**  trans162.664.6148.1-78.2-11.8000107.5
127M39.5Very low39Very low161 Ų161137.6 Ų137.679%0.79378%0.781SS**  trans-121.696.4171.2-159.6175.7-86.400108.9T129M127-T129 PolarHBondContact O-N 3.46Å
128E32.7Very low39Very low196 Ų196143.3 Ų143.392%0.91679%0.793SS**  trans-51129.6163.3-150.3169.2-162.100108.7
129T44.3Very low38.5Very low123 Ų123143.7 Ų143.776%0.75580%0.796SS**SBendtrans-78.4122.1-156.7-40.60000110.8M127M127-T129 PolarHBondContact O-N 3.46Å
130D35.6Very low38.4Very low161 Ų161137 Ų13786%0.86180%0.797SS**  trans-17152.1148.4-95.6-24.1000110.9P132D130-P132 VanDerWaalsContact O-CD 3.3Å; D130-P132 WeakPolarHBondContact O-CD 3.45Å
131D41.9Very low38.2Very low108 Ų108141.3 Ų141.358%0.57880%0.801SS**  trans-10697.6172.3-138.8-33.6000110.4F133 A134D131-F133 PolarHBondContact O-N 3.47Å; D131-A134 PolarHBondContact O-N 3.16Å
132P43.3Very low38Very low105 Ų105140.6 Ų140.668%0.68279%0.794SS**THydrogen-bonded Turntrans-72.413.2-173.528.6-35.1000114.2D130D130-P132 VanDerWaalsContact O-CD 3.3Å; D130-P132 WeakPolarHBondContact O-CD 3.45Å
133F43.3Very low38Very low121 Ų121145.8 Ų145.853%0.53180%0.798SS.*THydrogen-bonded Turntrans-108.6-3.2179.1-150.7-101.8000113.5D131 Q135D131-F133 PolarHBondContact O-N 3.47Å; F133-Q135 VanDerWaalsContact C-N 3.28Å; F133-Q135 PolarHBondContact O-N 2.87Å
134A41.2Very low37.6Very low90 Ų90141 Ų14174%0.74479%0.793SS**G310 helixtrans-72.6-16.3179.300000114.1D131D131-A134 PolarHBondContact O-N 3.16Å
135Q42.8Very low38.8Very low191 Ų191139.4 Ų139.489%0.89379%0.791SS**G310 helixtrans-87.8-6.6-170.1-168.8160.9-8.100115.6F133F133-Q135 VanDerWaalsContact C-N 3.28Å; F133-Q135 PolarHBondContact O-N 2.87Å
136F38.1Very low38.6Very low202 Ų202137.2 Ų137.289%0.88679%0.794SS**G310 helixtrans-104.410.4-175-142.3-97.4000114.5
137G42.7Very low38.5Very low48 Ų48133.7 Ų133.750%0.49579%0.788SS.*SBendtrans-104.47.6-170.100000117.2
138M41.2Very low38.3Very low185 Ų185135.5 Ų135.591%0.91180%0.797SS**  trans-133.271.9-175.9-76.7-66.4-168.200112.3
139A34.5Very low38.1Very low106 Ų106129.8 Ų129.888%0.87679%0.791SS**SBendtrans-161.7116.8155.500000108.9
140G37.6Very low37.4Very low85 Ų85127.1 Ų127.188%0.87679%0.788SS**  trans125.851.7169.800000115.2
141R37.2Very low37.2Very low256 Ų256128.3 Ų128.397%0.96679%0.786SS**  trans-111.6110.5158.2-168.4177.8169.9-167.9-3.3107.1
142G30.4Very low37.1Very low65 Ų65128.7 Ų128.767%0.6780%0.797SS**  trans179.3116.8174.100000114.6
143M31.5Very low36.6Very low192 Ų192133.6 Ų133.695%0.94680%0.802SS**  trans71.6121.4156.1-92.966.8153.700120.9
144G30.2Very low36.4Very low70 Ų70133.3 Ų133.372%0.72282%0.815SS**  trans-87.2-144159.200000112
145P57.5Low35.8Very low126 Ų126138.3 Ų138.382%0.81882%0.82SS**  -128.2153.8-53.637-23.5000112.2
146S32.1Very low35.7Very low121 Ų121134.9 Ų134.985%0.84682%0.817SS**  trans-168.7119.1163.2-810000108.8
147A31.1Very low36.1Very low96 Ų96131.3 Ų131.379%0.79382%0.815SS**  82.497.978.100000113.9
148M34.9Very low35.5Very low198 Ų198132.5 Ų132.598%0.97583%0.827SS**  trans161.1122.6146.2-104.2-172.5161.200106.6
149G28.6Very low35.3Very low76 Ų76133 Ų13378%0.78483%0.829SS**  cis110.7100.746.900000106.2
150G30.3Very low35.3Very low68 Ų68131.9 Ų131.970%0.70183%0.828SS**  trans-73.2170-164.700000115.9
151F31.3Very low35.2Very low186 Ų186131.5 Ų131.582%0.81682%0.824SS**  trans-158.2106153.3-105.1-79.4000109.4
152S39.4Very low35.8Very low116 Ų116129 Ų12981%0.81183%0.826SS**  trans-74.5134.5155.727.70000108.8
153R32.5Very low36.1Very low208 Ų208128.1 Ų128.179%0.78582%0.816SS**  trans-158.1110.1155.7-102.2165-152.3-138.96.6109.6
154S39.5Very low36.8Very low115 Ų115122.9 Ų122.980%0.80481%0.812SS**  trans-60.1135.5164.3-48.50000111
155F29.6Very low37.4Very low195 Ų195127.7 Ų127.786%0.85582%0.815SS**  trans-152.9108.3151.5-94.5-80.8000109.3
156S38.7Very low36.9Very low118 Ų118127.8 Ų127.883%0.82581%0.814SS**  trans-117.7140.5147.5-90.20000105
157P46.6Very low37.9Very low128 Ų128126.8 Ų126.883%0.83181%0.807SS**  -151.814988.535.1-15.9000115.1
158G31.5Very low39.1Very low73 Ų73128.4 Ų128.475%0.75381%0.806SS**  trans170.984.1168.100000117.1
159M36.2Very low40.4Very low195 Ų195124.3 Ų124.396%0.96179%0.792SS**  trans65.8115.2132.1-147.6141.487.300121
160G35.8Very low42.4Very low83 Ų83130 Ų13086%0.85680%0.795SS**  7995.2125.400000118
161G35.3Very low44.7Very low77 Ų77131.6 Ų131.679%0.79478%0.783SS**  trans-166.175168.400000111.7G163G161-G163 PolarHBondContact O-N 3.12Å
162M48.1Very low47.3Very low204 Ų204130.4 Ų130.4100%1.00578%0.78SS**  trans-72.375.9170.1-162.6106.17800108.9
163G37.1Very low49.7Very low45 Ų45128.5 Ų128.546%0.46476%0.759SS.*  trans-105.9111.8170.300000108.7G161 H165G161-G163 PolarHBondContact O-N 3.12Å; G163-H165 PolarHBondContact O-CD2 3.13Å; G163-H165 VanDerWaalsContact O-CD2 3.24Å; G163-H165 PolarHBondContact O-N 3.17Å
164G45.7Very low52.4Low83 Ų83122 Ų12286%0.85674%0.739SS**  trans-64.679.6171.100000110.5T166G164-T166 PolarHBondContact O-N 2.8Å; G164-T166 VanDerWaalsContact O-N 3.11Å
165H44.2Very low54.9Low171 Ų171121.6 Ų121.679%0.79273%0.734SS**  trans-73.1100.3166.1-68.6-82000106.6G163 S167G163-H165 PolarHBondContact O-CD2 3.13Å; G163-H165 VanDerWaalsContact O-CD2 3.24Å; G163-H165 PolarHBondContact O-N 3.17Å; H165-S167 PolarHBondContact O-N 3.46Å
166T46.6Very low58.1Low128 Ų128115.9 Ų115.979%0.78572%0.717SS**  trans-53.997.1154.8450000106.3G164 V168G164-T166 PolarHBondContact O-N 2.8Å; G164-T166 VanDerWaalsContact O-N 3.11Å; T166-V168 PolarHBondContact O-N 3.39Å
167S52Low60.8Low100 Ų100113.1 Ų113.170%0.69970%0.695SS**  trans-63.993.4170.843.60000106.1H165 V169H165-S167 PolarHBondContact O-N 3.46Å; S167-V169 PolarHBondContact O-N 2.88Å
168V57Low63.1Low129 Ų129111.2 Ų111.278%0.78268%0.68SS**  trans-60.396.9165.7178.60000104.5T166 K170T166-V168 PolarHBondContact O-N 3.39Å; V168-K170 VanDerWaalsContact C-N 3.3Å; V168-K170 PolarHBondContact O-N 3.38Å
169V61.8Low66.3Low113 Ų113111.5 Ų111.569%0.68566%0.662SS**  trans-60.9101175.3178.20000105.4S167 K171S167-V169 PolarHBondContact O-N 2.88Å; V169-K171 PolarHBondContact O-N 3.38Å
170K71.8Confident69.2Low194 Ų194106.9 Ų106.984%0.84364%0.641SS**  trans-64.3105.2179.6-168175.8-177.4179.50106.5V168 Q172V168-K170 VanDerWaalsContact C-N 3.3Å; V168-K170 PolarHBondContact O-N 3.38Å; K170-Q172 PolarHBondContact O-N 2.63Å
171K78.8Confident72.1Confident103 Ų103103 Ų10345%0.44860%0.601SS.*PPolyproline II helixtrans-59.9124.2178.6-62-172-179.7-1680108.3V169 P241 I244V169-K171 PolarHBondContact O-N 3.38Å; K171-P241 WeakPolarHBondContact CE-O 3.38Å; K171-P241 PolarHBondContact NZ-O 2.92Å; K171-I244 HydrophobicContact CB-CD1 4.34Å; K171-I244 HydrophobicContact CB-CG1 3.88Å; K171-I244 WeakPolarHBondContact O-CD1 3.26Å
172Q85.7Confident75.1Confident160 Ų160103.8 Ų103.875%0.74859%0.587SS**EExtended strand (participates in β ladder)trans-92.7145.4174.7-173.7171.20.200109K170 I244K170-Q172 PolarHBondContact O-N 2.63Å; Q172-I244 PolarHBondContact O-N 2.9Å
173Q89.7Confident77.5Confident77 Ų7794.1 Ų94.136%0.3654%0.539SS..EExtended strand (participates in β ladder)trans-79.4131.5172.1-168.4172.1-5.300109.9I244 P245 D247Q173-I244 WeakPolarHBondContact CA-O 3.41Å; Q173-I244 HydrophobicContact CB-CB 3.94Å; Q173-I244 HydrophobicContact CB-CG2 4.21Å; Q173-I244 HydrophobicContact CG-CB 4.13Å; Q173-I244 HydrophobicContact CG-CG2 4.01Å; Q173-P245 WeakPolarHBondContact CG-O 3.5Å; Q173-P245 PolarHBondContact NE2-O 2.98Å; Q173-D247 PolarHBondContact NE2-OD1 2.76Å
174D88.6Confident80.4Confident71 Ų7193 Ų9338%0.3852%0.524SS..PPolyproline II helixtrans-65.3153.5176.7-75.2-5000111.1N243 I244 A246D174-N243 PolarHBondContact OD2-ND2 3.12Å; D174-I244 PolarHBondContact N-O 3.26Å; D174-A246 HydrophobicContact CB-CB 3.9Å
175P92.9Very high82.9Confident106 Ų10689.2 Ų89.269%0.68848%0.484SS*.PPolyproline II helixtrans-60149177.925.4-34.6000111.6V177 A246P175-V177 PolarHBondContact O-N 3.48Å; P175-A246 VanDerWaalsContact O-CB 3.22Å; P175-A246 WeakPolarHBondContact O-CB 3.43Å
176P95.1Very high85.5Confident76 Ų7684 Ų8449%0.49446%0.46SS..PPolyproline II helixtrans-59.9137.9-178.1-23.933.6000113.5D247 V249P176-D247 CarbonylContact C-O 3.51Å; P176-D247 VanDerWaalsContact CA-O 3.26Å; P176-D247 WeakPolarHBondContact CA-O 3.39Å; P176-D247 HydrophobicContact CB-CB 4.39Å; P176-V249 HydrophobicContact CB-CG2 3.89Å
177V95.5Very high87.9Confident60 Ų6080.4 Ų80.436%0.36444%0.435SS..EExtended strand (participates in β ladder)trans-83.9117.5171.2-177.90000108.3P175 A246 D247 V248 V249P175-V177 PolarHBondContact O-N 3.48Å; V177-A246 HydrophobicContact CG2-CB 4.15Å; V177-D247 PolarHBondContact N-O 2.9Å; V177-V248 HydrophobicContact CB-CG2 4.47Å; V177-V248 CarbonylContact O-C 3.54Å; V177-V248 WeakPolarHBondContact O-CA 3.26Å; V177-V249 PolarHBondContact O-N 2.99Å
178V96.8Very high90.1Very high87 Ų8775.7 Ų75.753%0.52740%0.401SS..EExtended strand (participates in β ladder)trans-103.1131.5-175.3-1740000110.8V249 V251V178-V249 CarbonylContact C-O 3.55Å; V178-V249 WeakPolarHBondContact CA-O 3.48Å; V178-V249 HydrophobicContact CG2-CB 4.45Å; V178-V251 HydrophobicContact CG1-CG2 3.56Å
179H96.7Very high92Very high79 Ų7970.2 Ų70.237%0.36637%0.368SS..EExtended strand (participates in β ladder)trans-126.2139.8175-65.7-60.2000111.2V249 F250 V251H179-V249 PolarHBondContact N-O 2.81Å; H179-F250 HydrophobicContact CB-CD1 3.66Å; H179-F250 HydrophobicContact CB-CE1 3.67Å; H179-F250 CarbonylContact O-C 3.35Å; H179-F250 VanDerWaalsContact O-CA 3.25Å; H179-F250 WeakPolarHBondContact O-CA 3.27Å; H179-V251 PolarHBondContact O-N 3.27Å
180D97.9Very high93.7Very high98 Ų9869.6 Ų69.652%0.52436%0.36SS..EExtended strand (participates in β ladder)trans-78.2131.8171.7-71.7-18.6000110.5K253D180-K253 HydrophobicContact CB-CG 4.01Å
181L97.9Very high94.9Very high2 Ų261.3 Ų61.31%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-109.896.3174.5-177.465.6000108.6V183 K194 M196 V219 I221 F250 V251 K253L181-V183 HydrophobicContact CG-CG2 4.2Å; L181-V183 PolarHBondContact O-N 3.47Å; L181-K194 HydrophobicContact CD1-CB 4.26Å; L181-K194 HydrophobicContact CD1-CD 3.65Å; L181-K194 HydrophobicContact CG-CD 4.21Å; L181-M196 HydrophobicContact CD1-CE 4.05Å; L181-M196 HydrophobicContact CD1-CG 4.03Å; L181-M196 HydrophobicContact CD1-SD 3.56Å; L181-M196 VanDerWaalsContact CD1-SD 3.56Å; L181-V219 HydrophobicContact CD2-CB 4.11Å; L181-V219 HydrophobicContact CD2-CG1 3.65Å; L181-V219 HydrophobicContact CD2-CG2 4.28Å; L181-I221 HydrophobicContact CD2-CD1 4.12Å; L181-I221 HydrophobicContact CD2-CG1 4.34Å; L181-F250 HydrophobicContact CB-CB 4.16Å; L181-F250 HydrophobicContact CB-CD1 4.39Å; L181-F250 HydrophobicContact CD2-CB 4.42Å; L181-V251 PolarHBondContact N-O 3.26Å; L181-K253 PolarHBondContact O-N 3.38Å
182N97.7Very high95.7Very high94 Ų9458 Ų5850%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-74.3124.2179.6-65.4-45000111.2K194 K253N182-K194 VanDerWaalsContact O-CE 3.26Å; N182-K194 WeakPolarHBondContact O-CE 3.2Å; N182-K194 PolarHBondContact O-NZ 3.46Å; N182-K253 CarbonylContact C-O 3.05Å; N182-K253 WeakPolarHBondContact CA-O 3.39Å; N182-K253 WeakPolarHBondContact OD1-CB 3.33Å
183V97.9Very high96.3Very high0 Ų053.9 Ų53.90%031%0.306CS..EExtended strand (participates in β ladder)trans-127.7131.8-176.2-172.20000109.5L181 E187 V188 I221 L252 K253 K255L181-V183 HydrophobicContact CG-CG2 4.2Å; L181-V183 PolarHBondContact O-N 3.47Å; V183-E187 WeakPolarHBondContact CA-OE2 3.43Å; V183-E187 HydrophobicContact CG1-CB 3.47Å; V183-E187 VanDerWaalsContact CG1-CB 3.47Å; V183-E187 HydrophobicContact CG1-CG 4.5Å; V183-V188 HydrophobicContact CB-CG2 4.42Å; V183-V188 HydrophobicContact CG1-CG2 3.76Å; V183-I221 HydrophobicContact CB-CD1 4.48Å; V183-I221 HydrophobicContact CG1-CD1 4.07Å; V183-I221 HydrophobicContact CG1-CG2 4.27Å; V183-I221 HydrophobicContact CG2-CD1 3.5Å; V183-I221 VanDerWaalsContact CG2-CD1 3.5Å; V183-I221 HydrophobicContact CG2-CG1 4.41Å; V183-L252 HydrophobicContact CB-CD2 4.5Å; V183-L252 HydrophobicContact CB-CG 4.35Å; V183-L252 HydrophobicContact CG2-CD1 3.92Å; V183-L252 HydrophobicContact CG2-CD2 4.43Å; V183-L252 HydrophobicContact CG2-CG 3.76Å; V183-K253 PolarHBondContact N-O 3.48Å; V183-K255 WeakPolarHBondContact O-CB 3.14Å; V183-K255 PolarHBondContact O-N 2.94Å
184S98.2Very high96.7Very high21 Ų2152.3 Ų52.315%0.14730%0.298CS..  trans-77.3161.9176.486.10000112.3E186 E187 V188S184-E186 VanDerWaalsContact C-N 3.25Å; S184-E186 WeakPolarHBondContact CB-OE2 3.21Å; S184-E186 PolarHBondContact O-N 3.27Å; S184-E186 PolarHBondContact OG-N 2.77Å; S184-E186 PolarHBondContact OG-OE2 3.09Å; S184-E187 PolarHBondContact N-OE2 3.49Å; S184-E187 WeakPolarHBondContact O-CB 3.31Å; S184-E187 PolarHBondContact O-N 2.85Å; S184-E187 VanDerWaalsContact O-N 3.15Å; S184-E187 PolarHBondContact OG-N 3.35Å; S184-V188 WeakPolarHBondContact O-CG2 3.33Å; S184-V188 PolarHBondContact O-N 2.72Å
185L98.2Very high97.1Very high4 Ų455.9 Ų55.92%0.02131%0.31CS..Hα-helixtrans-63.6-32.8178.5-60.8-179.9000112.2V188 L189 H257 F260 R262 L289 L315L185-V188 PolarHBondContact O-N 2.86Å; L185-L189 WeakPolarHBondContact O-CB 3.5Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-H257 HydrophobicContact CD1-CB 3.68Å; L185-H257 HydrophobicContact CG-CB 4.22Å; L185-F260 HydrophobicContact CD1-CB 3.88Å; L185-R262 HydrophobicContact CD2-CB 3.91Å; L185-R262 HydrophobicContact CD2-CG 4.2Å; L185-L289 HydrophobicContact CB-CD1 4.13Å; L185-L289 HydrophobicContact CB-CD2 3.67Å; L185-L289 HydrophobicContact CD1-CD2 4.25Å; L185-L315 HydrophobicContact CD2-CD1 4.25Å; L185-L315 WeakPolarHBondContact O-CD2 3.43Å
186E97.8Very high97.2Very high63 Ų6353.4 Ų53.429%0.29429%0.29SS..Hα-helixtrans-67.7-37.8174.5-5474.3-161.900111.6S184 L189 N190 H257S184-E186 VanDerWaalsContact C-N 3.25Å; S184-E186 WeakPolarHBondContact CB-OE2 3.21Å; S184-E186 PolarHBondContact O-N 3.27Å; S184-E186 PolarHBondContact OG-N 2.77Å; S184-E186 PolarHBondContact OG-OE2 3.09Å; E186-L189 PolarHBondContact O-N 2.81Å; E186-N190 WeakPolarHBondContact O-CB 3.35Å; E186-N190 PolarHBondContact O-N 3.26Å; E186-N190 PolarHBondContact O-ND2 3.32Å; E186-H257 IonicContact OE1-CD2 3.3Å; E186-H257 PolarHBondContact OE1-CD2 3.48Å; E186-H257 VanDerWaalsContact OE1-CD2 3.24Å; E186-H257 IonicContact OE1-NE2 3.3Å; E186-H257 PolarHBondContact OE1-NE2 3.23Å
187E97.9Very high97.3Very high52 Ų5255.9 Ų55.924%0.24329%0.293CS..Hα-helixtrans-66.8-37.5172.9-71.7178.1136.100111.1V183 S184 G191 C192 K194V183-E187 WeakPolarHBondContact CA-OE2 3.43Å; V183-E187 HydrophobicContact CG1-CB 3.47Å; V183-E187 VanDerWaalsContact CG1-CB 3.47Å; V183-E187 HydrophobicContact CG1-CG 4.5Å; S184-E187 PolarHBondContact N-OE2 3.49Å; S184-E187 WeakPolarHBondContact O-CB 3.31Å; S184-E187 PolarHBondContact O-N 2.85Å; S184-E187 VanDerWaalsContact O-N 3.15Å; S184-E187 PolarHBondContact OG-N 3.35Å; E187-G191 CarbonylContact O-C 3.58Å; E187-G191 WeakPolarHBondContact O-CA 3.35Å; E187-G191 PolarHBondContact O-N 2.7Å; E187-C192 HydrophobicContact CB-CB 4.48Å; E187-C192 HydrophobicContact CG-CB 4.41Å; E187-K194 VanDerWaalsContact OE1-CE 3.31Å; E187-K194 WeakPolarHBondContact OE1-CE 3.48Å; E187-K194 IonicContact OE1-NZ 2.64Å; E187-K194 PolarHBondContact OE1-NZ 3.02Å; E187-K194 WeakPolarHBondContact OE2-CE 3.46Å; E187-K194 IonicContact OE2-NZ 2.73Å; E187-K194 PolarHBondContact OE2-NZ 2.77Å
188V97.8Very high97.3Very high0 Ų053.8 Ų53.80%028%0.279CS..Hα-helixtrans-69.3-36173.4178.30000111.7V183 S184 L185 K223 G224 L315V183-V188 HydrophobicContact CB-CG2 4.42Å; V183-V188 HydrophobicContact CG1-CG2 3.76Å; S184-V188 WeakPolarHBondContact O-CG2 3.33Å; S184-V188 PolarHBondContact O-N 2.72Å; L185-V188 PolarHBondContact O-N 2.86Å; V188-K223 WeakPolarHBondContact O-CA 3.11Å; V188-G224 PolarHBondContact O-N 3.41Å; V188-L315 HydrophobicContact CB-CD2 4.28Å; V188-L315 HydrophobicContact CG1-CD1 4.05Å; V188-L315 HydrophobicContact CG1-CD2 4.15Å
189L97.7Very high97.2Very high15 Ų1553.3 Ų53.38%0.07928%0.28CS..Hα-helixtrans-63.7-46.2177.2177.164000111.4L185 E186 L289 D290 L315 P316L185-L189 WeakPolarHBondContact O-CB 3.5Å; L185-L189 PolarHBondContact O-N 2.82Å; E186-L189 PolarHBondContact O-N 2.81Å; L189-L289 HydrophobicContact CD2-CB 3.78Å; L189-D290 HydrophobicContact CD2-CB 4.43Å; L189-L315 HydrophobicContact CB-CD2 4.05Å; L189-P316 HydrophobicContact CD1-CG 4.05Å; L189-P316 WeakPolarHBondContact O-CG 3.33Å
190N96.8Very high97.1Very high99 Ų9950.8 Ų50.853%0.52927%0.267SS..Hα-helixtrans-96.7-19.6-171.9-64.7-52.4000113.8E186 K223E186-N190 WeakPolarHBondContact O-CB 3.35Å; E186-N190 PolarHBondContact O-N 3.26Å; E186-N190 PolarHBondContact O-ND2 3.32Å; N190-K223 WeakPolarHBondContact O-CE 3.47Å; N190-K223 WeakPolarHBondContact O-CG 3.07Å
191G96.6Very high96.9Very high21 Ų2150.5 Ų50.522%0.21626%0.261CS..  trans73153.7-162.400000110.7E187 I221E187-G191 CarbonylContact O-C 3.58Å; E187-G191 WeakPolarHBondContact O-CA 3.35Å; E187-G191 PolarHBondContact O-N 2.7Å; G191-I221 CarbonylContact C-O 3.6Å; G191-I221 VanDerWaalsContact CA-O 3.23Å; G191-I221 WeakPolarHBondContact CA-O 3.35Å
192C97.5Very high96.8Very high32 Ų3251.7 Ų51.722%0.21627%0.265CS..EExtended strand (participates in β ladder)trans-157.8171.1175.872.80000111.5E187 I221E187-C192 HydrophobicContact CB-CB 4.48Å; E187-C192 HydrophobicContact CG-CB 4.41Å; C192-I221 PolarHBondContact N-O 3.45Å; C192-I221 WeakPolarHBondContact O-CA 3.17Å; C192-I221 WeakPolarHBondContact O-CB 3.47Å; C192-I221 PolarHBondContact O-N 3.12Å; C192-I221 VanDerWaalsContact SG-CD1 3.58Å
193T97.6Very high96.5Very high75 Ų7549.3 Ų49.346%0.4625%0.253SS..EExtended strand (participates in β ladder)trans-113.2121.6170.7-64.60000108.8E218 V219T193-E218 VanDerWaalsContact CG2-CD 3.43Å; T193-E218 HydrophobicContact CG2-CG 3.23Å; T193-E218 VanDerWaalsContact CG2-OE1 3.26Å; T193-E218 WeakPolarHBondContact CG2-OE1 3.32Å; T193-V219 CarbonylContact C-O 3.49Å; T193-V219 WeakPolarHBondContact CA-O 3.5Å
194K97.1Very high96.2Very high43 Ų4350.7 Ų50.719%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-106.2134.2173-75-175.9-169.9-850110.4L181 N182 E187 V219 I221L181-K194 HydrophobicContact CD1-CB 4.26Å; L181-K194 HydrophobicContact CD1-CD 3.65Å; L181-K194 HydrophobicContact CG-CD 4.21Å; N182-K194 VanDerWaalsContact O-CE 3.26Å; N182-K194 WeakPolarHBondContact O-CE 3.2Å; N182-K194 PolarHBondContact O-NZ 3.46Å; E187-K194 VanDerWaalsContact OE1-CE 3.31Å; E187-K194 WeakPolarHBondContact OE1-CE 3.48Å; E187-K194 IonicContact OE1-NZ 2.64Å; E187-K194 PolarHBondContact OE1-NZ 3.02Å; E187-K194 WeakPolarHBondContact OE2-CE 3.46Å; E187-K194 IonicContact OE2-NZ 2.73Å; E187-K194 PolarHBondContact OE2-NZ 2.77Å; K194-V219 PolarHBondContact N-O 2.65Å; K194-V219 PolarHBondContact O-N 3.49Å; K194-I221 HydrophobicContact CB-CD1 4.39Å; K194-I221 HydrophobicContact CD-CD1 3.7Å; K194-I221 HydrophobicContact CG-CD1 3.91Å
195K97.3Very high95.8Very high147 Ų14756.2 Ų56.264%0.63930%0.297SS*.EExtended strand (participates in β ladder)trans-102.4116.6175.7-71.5-178.1-178.5-177.20109.1I216 L217 E218K195-I216 HydrophobicContact CB-CG2 3.72Å; K195-I216 HydrophobicContact CD-CG2 4.34Å; K195-I216 HydrophobicContact CG-CG2 4.13Å; K195-L217 WeakPolarHBondContact CA-O 3.35Å; K195-E218 HydrophobicContact CG-CG 4.44Å
196M96.1Very high95.4Very high53 Ų5360.2 Ų60.226%0.26132%0.319SS..EExtended strand (participates in β ladder)trans-108.8117.6-177.1-58.6-54.7-69.200109.4L181 L217 V219 F250L181-M196 HydrophobicContact CD1-CE 4.05Å; L181-M196 HydrophobicContact CD1-CG 4.03Å; L181-M196 HydrophobicContact CD1-SD 3.56Å; L181-M196 VanDerWaalsContact CD1-SD 3.56Å; M196-L217 PolarHBondContact N-O 3.33Å; M196-L217 PolarHBondContact O-N 3.4Å; M196-V219 HydrophobicContact CG-CG2 4.36Å; M196-F250 HydrophobicContact CB-CE1 3.77Å; M196-F250 HydrophobicContact CB-CE2 4.26Å; M196-F250 HydrophobicContact CB-CZ 3.5Å; M196-F250 HydrophobicContact CE-CD1 4.35Å; M196-F250 HydrophobicContact CE-CE1 3.8Å; M196-F250 HydrophobicContact CG-CD1 4.23Å; M196-F250 HydrophobicContact CG-CE1 3.73Å; M196-F250 HydrophobicContact CG-CZ 3.89Å
197K96.4Very high94.7Very high128 Ų12858.9 Ų58.956%0.55732%0.321SS*.EExtended strand (participates in β ladder)trans-84.8124.7176.5-168.6-179.8-173.3-168.80109.3E214K197-E214 WeakPolarHBondContact CE-OE1 3.3Å; K197-E214 WeakPolarHBondContact CE-OE2 3.27Å; K197-E214 IonicContact NZ-OE1 2.82Å; K197-E214 PolarHBondContact NZ-OE1 3.11Å; K197-E214 IonicContact NZ-OE2 2.81Å; K197-E214 PolarHBondContact NZ-OE2 3.36Å
198I95.2Very high94Very high17 Ų1766.7 Ų66.79%0.08735%0.349CS..EExtended strand (participates in β ladder)trans-115.2154.9172.663.9159.4000110.1E214 K215 L217 E236 V248 F250I198-E214 WeakPolarHBondContact O-CA 3.43Å; I198-K215 HydrophobicContact CG1-CB 4.2Å; I198-K215 WeakPolarHBondContact CG1-O 3.38Å; I198-K215 PolarHBondContact N-O 2.87Å; I198-K215 PolarHBondContact O-N 3.38Å; I198-L217 HydrophobicContact CD1-CD1 3.69Å; I198-L217 HydrophobicContact CD1-CG 4.13Å; I198-L217 HydrophobicContact CG1-CD1 4.06Å; I198-L217 HydrophobicContact CG1-CG 4.13Å; I198-L217 HydrophobicContact CG2-CD1 4.01Å; I198-E236 HydrophobicContact CD1-CB 3.97Å; I198-V248 HydrophobicContact CD1-CG2 4.4Å; I198-F250 HydrophobicContact CG2-CZ 4.2Å
199S94.9Very high93.6Very high76 Ų7670.2 Ų70.253%0.53137%0.37SS..EExtended strand (participates in β ladder)trans-114.7129.9169.7-176.60000107.8T212S199-T212 WeakPolarHBondContact OG-CG2 3.2Å
200R94.2Very high93.3Very high27 Ų2772.7 Ų72.710%0.10239%0.389CS..EExtended strand (participates in β ladder)trans-139.9142.1-175.269.3-161.1-174143.83.7110.8R202 E213 E236 D238R200-R202 VanDerWaalsContact CD-CZ 3.46Å; R200-R202 VanDerWaalsContact CD-NH2 3.32Å; R200-R202 HydrophobicContact CG-CG 4.44Å; R200-E213 IonicContact CZ-OE1 2.98Å; R200-E213 PolarHBondContact N-O 3.22Å; R200-E213 IonicContact NE-OE1 2.67Å; R200-E213 IonicContact NH2-OE1 3.44Å; R200-E213 PolarHBondContact NH2-OE1 3.26Å; R200-E213 IonicContact NH2-OE2 2.79Å; R200-E213 PolarHBondContact O-N 3.22Å; R200-E236 WeakPolarHBondContact CB-O 3.5Å; R200-E236 WeakPolarHBondContact CD-O 3.48Å; R200-E236 IonicContact CZ-OE2 3.59Å; R200-E236 IonicContact NE-OE2 3.23Å; R200-E236 VanDerWaalsContact NH1-CD 3.32Å; R200-E236 IonicContact NH1-OE1 3.86Å; R200-E236 PolarHBondContact NH1-OE1 3.49Å; R200-E236 IonicContact NH1-OE2 3.98Å; R200-E236 PolarHBondContact NH1-OE2 2.8Å; R200-D238 WeakPolarHBondContact CA-OD1 3.45Å
201K94.3Very high93.2Very high92 Ų9275 Ų7540%0.439%0.39SS..EExtended strand (participates in β ladder)trans-82.9135.3172.6-64.1179.7-173.7170.20110.3R211 D238 E239K201-R211 CarbonylContact C-O 3.56Å; K201-R211 WeakPolarHBondContact CA-O 3.48Å; K201-D238 HydrophobicContact CB-CB 4.2Å; K201-D238 PolarHBondContact N-OD1 3.43Å; K201-E239 WeakPolarHBondContact O-CB 3.06Å; K201-E239 PolarHBondContact O-N 2.76Å
202R94.9Very high93.1Very high26 Ų2678.5 Ų78.510%0.09841%0.408CS..EExtended strand (participates in β ladder)trans-123.9140.5175.9-69.7-69.5173.1-9516.4109.8R200 S210 R211 K235 G237 E239R200-R202 VanDerWaalsContact CD-CZ 3.46Å; R200-R202 VanDerWaalsContact CD-NH2 3.32Å; R200-R202 HydrophobicContact CG-CG 4.44Å; R202-S210 CarbonylContact O-C 3.44Å; R202-S210 VanDerWaalsContact O-CA 3.3Å; R202-S210 WeakPolarHBondContact O-CA 2.85Å; R202-R211 HydrophobicContact CB-CG 4.38Å; R202-R211 PolarHBondContact N-O 3.1Å; R202-R211 PolarHBondContact O-N 2.75Å; R202-K235 PolarHBondContact NH2-O 3.35Å; R202-G237 PolarHBondContact NH1-O 3.24Å; R202-G237 PolarHBondContact NH2-O 2.89Å; R202-E239 WeakPolarHBondContact CD-OE2 3.44Å
203L93Very high93Very high45 Ų4579.8 Ų79.824%0.23641%0.41CS..EExtended strand (participates in β ladder)trans-71.8133.5-180-165.567.7000109.7T209 E239 P241L203-T209 WeakPolarHBondContact CD1-O 3.48Å; L203-E239 HydrophobicContact CB-CG 4.29Å; L203-E239 PolarHBondContact N-OE2 2.62Å; L203-P241 HydrophobicContact CD1-CG 3.7Å
204C90.8Very high93Very high28 Ų2882.2 Ų82.219%0.18942%0.417CS..  trans-70.3162173.2-69.40000110.6D206 G207 T209C204-D206 WeakPolarHBondContact CB-OD1 3.48Å; C204-D206 PolarHBondContact O-N 3.46Å; C204-G207 PolarHBondContact O-N 3.26Å; C204-T209 WeakPolarHBondContact CB-O 3.31Å; C204-T209 VanDerWaalsContact CB-OG1 3.29Å; C204-T209 WeakPolarHBondContact CB-OG1 3.44Å; C204-T209 PolarHBondContact N-O 2.85Å; C204-T209 PolarHBondContact SG-OG1 3.37Å; C204-T209 VanDerWaalsContact SG-OG1 3.36Å
205P90.2Very high92.9Very high138 Ų13883.6 Ų83.690%0.89642%0.422SS*.THydrogen-bonded Turntrans-57.7-21177-25.535.1000114.4G207P205-G207 PolarHBondContact O-N 3.4Å
206D88.7Confident92.9Very high88 Ų8881.7 Ų81.747%0.47142%0.418SS..THydrogen-bonded Turntrans-69.5-8.9175.769.46.3000114C204 R208 T209C204-D206 WeakPolarHBondContact CB-OD1 3.48Å; C204-D206 PolarHBondContact O-N 3.46Å; D206-R208 PolarHBondContact O-N 2.96Å; D206-R208 VanDerWaalsContact O-N 3.14Å; D206-R208 PolarHBondContact OD1-N 2.97Å; D206-T209 VanDerWaalsContact CG-OG1 3.27Å; D206-T209 PolarHBondContact OD1-N 2.97Å; D206-T209 PolarHBondContact OD1-OG1 3.4Å; D206-T209 WeakPolarHBondContact OD2-CB 3.26Å; D206-T209 VanDerWaalsContact OD2-CG2 3.25Å; D206-T209 WeakPolarHBondContact OD2-CG2 3.38Å; D206-T209 PolarHBondContact OD2-OG1 3.31Å
207G83.4Confident93Very high34 Ų3479.4 Ų79.435%0.35141%0.407SS..SBendtrans67.38.1179.700000114.7C204 P205 P241C204-G207 PolarHBondContact O-N 3.26Å; P205-G207 PolarHBondContact O-N 3.4Å; G207-P241 WeakPolarHBondContact O-CG 3.38Å
208R84.1Confident93Very high217 Ų21777.9 Ų77.982%0.81940%0.402SS*.SBendtrans-128-42.8-173-70-176.4-179.9179.21.2113D206D206-R208 PolarHBondContact O-N 2.96Å; D206-R208 VanDerWaalsContact O-N 3.14Å; D206-R208 PolarHBondContact OD1-N 2.97Å
209T89Confident93.2Very high73 Ų7377.1 Ų77.145%0.44840%0.398SS..  trans-93.3155.2-179.7650000110.8L203 C204 D206L203-T209 WeakPolarHBondContact CD1-O 3.48Å; C204-T209 WeakPolarHBondContact CB-O 3.31Å; C204-T209 VanDerWaalsContact CB-OG1 3.29Å; C204-T209 WeakPolarHBondContact CB-OG1 3.44Å; C204-T209 PolarHBondContact N-O 2.85Å; C204-T209 PolarHBondContact SG-OG1 3.37Å; C204-T209 VanDerWaalsContact SG-OG1 3.36Å; D206-T209 VanDerWaalsContact CG-OG1 3.27Å; D206-T209 PolarHBondContact OD1-N 2.97Å; D206-T209 PolarHBondContact OD1-OG1 3.4Å; D206-T209 WeakPolarHBondContact OD2-CB 3.26Å; D206-T209 VanDerWaalsContact OD2-CG2 3.25Å; D206-T209 WeakPolarHBondContact OD2-CG2 3.38Å; D206-T209 PolarHBondContact OD2-OG1 3.31Å
210S92.2Very high93.3Very high68 Ų6879.5 Ų79.548%0.47640%0.401SS..EExtended strand (participates in β ladder)trans-120.5142.2177.1630000110.5R202R202-S210 CarbonylContact O-C 3.44Å; R202-S210 VanDerWaalsContact O-CA 3.3Å; R202-S210 WeakPolarHBondContact O-CA 2.85Å
211R93.4Very high93.4Very high147 Ų14778.4 Ų78.456%0.55540%0.397SS*.EExtended strand (participates in β ladder)trans-109.6146.5169.667.1-177.3-173.2-172.71.9110.5K201 R202K201-R211 CarbonylContact C-O 3.56Å; K201-R211 WeakPolarHBondContact CA-O 3.48Å; R202-R211 HydrophobicContact CB-CG 4.38Å; R202-R211 PolarHBondContact N-O 3.1Å; R202-R211 PolarHBondContact O-N 2.75Å
212T95.2Very high93.6Very high95 Ų9580.5 Ų80.558%0.58341%0.406SS*.EExtended strand (participates in β ladder)trans-86.9131171.5-56.40000109.3S199S199-T212 WeakPolarHBondContact OG-CG2 3.2Å
213E95.3Very high93.7Very high59 Ų5983.9 Ų83.928%0.27642%0.422SS..EExtended strand (participates in β ladder)trans-125.5136.3178.6-174.4-172.1126.600109.3R200R200-E213 IonicContact CZ-OE1 2.98Å; R200-E213 PolarHBondContact N-O 3.22Å; R200-E213 IonicContact NE-OE1 2.67Å; R200-E213 IonicContact NH2-OE1 3.44Å; R200-E213 PolarHBondContact NH2-OE1 3.26Å; R200-E213 IonicContact NH2-OE2 2.79Å; R200-E213 PolarHBondContact O-N 3.22Å
214E96.4Very high93.9Very high126 Ų12681.8 Ų81.859%0.58941%0.41SS*.EExtended strand (participates in β ladder)trans-93134170.6-61.3-175.413100109.9K197 I198K197-E214 WeakPolarHBondContact CE-OE1 3.3Å; K197-E214 WeakPolarHBondContact CE-OE2 3.27Å; K197-E214 IonicContact NZ-OE1 2.82Å; K197-E214 PolarHBondContact NZ-OE1 3.11Å; K197-E214 IonicContact NZ-OE2 2.81Å; K197-E214 PolarHBondContact NZ-OE2 3.36Å; I198-E214 WeakPolarHBondContact O-CA 3.43Å
215K96.5Very high94.2Very high71 Ų7182.7 Ų82.731%0.30941%0.41SS..EExtended strand (participates in β ladder)trans-132.4141.7176.1-176.3170.8174.3-175.90110.4I198 L217 E236I198-K215 HydrophobicContact CG1-CB 4.2Å; I198-K215 WeakPolarHBondContact CG1-O 3.38Å; I198-K215 PolarHBondContact N-O 2.87Å; I198-K215 PolarHBondContact O-N 3.38Å; K215-L217 HydrophobicContact CD-CD2 4.16Å; K215-L217 HydrophobicContact CG-CD2 4.22Å; K215-E236 WeakPolarHBondContact CD-OE2 3.33Å; K215-E236 IonicContact NZ-OE1 3.63Å; K215-E236 PolarHBondContact NZ-OE1 2.87Å; K215-E236 IonicContact NZ-OE2 2.72Å
216I97.1Very high94.5Very high108 Ų10881.9 Ų81.955%0.55439%0.392SS*.EExtended strand (participates in β ladder)trans-96.3121.7173-57.4176.2000108.1K195K195-I216 HydrophobicContact CB-CG2 3.72Å; K195-I216 HydrophobicContact CD-CG2 4.34Å; K195-I216 HydrophobicContact CG-CG2 4.13Å
217L97.3Very high94.8Very high5 Ų582.3 Ų82.33%0.02639%0.391CS..EExtended strand (participates in β ladder)trans-98.9128.9172.8-58.6-178000108.8K195 M196 I198 K215 F233 E236 V248 F250K195-L217 WeakPolarHBondContact CA-O 3.35Å; M196-L217 PolarHBondContact N-O 3.33Å; M196-L217 PolarHBondContact O-N 3.4Å; I198-L217 HydrophobicContact CD1-CD1 3.69Å; I198-L217 HydrophobicContact CD1-CG 4.13Å; I198-L217 HydrophobicContact CG1-CD1 4.06Å; I198-L217 HydrophobicContact CG1-CG 4.13Å; I198-L217 HydrophobicContact CG2-CD1 4.01Å; K215-L217 HydrophobicContact CD-CD2 4.16Å; K215-L217 HydrophobicContact CG-CD2 4.22Å; L217-F233 HydrophobicContact CB-CD1 4.26Å; L217-F233 HydrophobicContact CB-CE1 3.95Å; L217-F233 HydrophobicContact CB-CE2 4.26Å; L217-F233 HydrophobicContact CB-CZ 3.95Å; L217-F233 HydrophobicContact CD1-CB 4.07Å; L217-F233 HydrophobicContact CD1-CD1 4.17Å; L217-F233 HydrophobicContact CD1-CD2 3.92Å; L217-F233 HydrophobicContact CD1-CE2 4.4Å; L217-F233 HydrophobicContact CD1-CG 3.79Å; L217-F233 HydrophobicContact CD2-CD1 3.92Å; L217-F233 HydrophobicContact CD2-CE1 4.31Å; L217-F233 HydrophobicContact CD2-CG 4.33Å; L217-F233 HydrophobicContact CG-CD1 4.34Å; L217-F233 HydrophobicContact CG-CG 4.45Å; L217-E236 HydrophobicContact CD1-CB 4.46Å; L217-E236 HydrophobicContact CD1-CG 4.33Å; L217-E236 HydrophobicContact CD2-CG 4.11Å; L217-V248 HydrophobicContact CD1-CG1 4.33Å; L217-F250 HydrophobicContact CB-CE2 4.46Å; L217-F250 HydrophobicContact CD1-CE2 3.84Å; L217-F250 HydrophobicContact CD1-CZ 4.4Å
218E97.7Very high95.5Very high95 Ų9582.4 Ų82.444%0.44439%0.392SS..EExtended strand (participates in β ladder)trans-100.2120.2-179.9-171.2172134.600110.1T193 K195T193-E218 VanDerWaalsContact CG2-CD 3.43Å; T193-E218 HydrophobicContact CG2-CG 3.23Å; T193-E218 VanDerWaalsContact CG2-OE1 3.26Å; T193-E218 WeakPolarHBondContact CG2-OE1 3.32Å; K195-E218 HydrophobicContact CG-CG 4.44Å
219V97.7Very high96.1Very high2 Ų274 Ų741%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-107.5115.4178-174.70000109.1L181 T193 K194 M196 I221 I231 F233 F250L181-V219 HydrophobicContact CD2-CB 4.11Å; L181-V219 HydrophobicContact CD2-CG1 3.65Å; L181-V219 HydrophobicContact CD2-CG2 4.28Å; T193-V219 CarbonylContact C-O 3.49Å; T193-V219 WeakPolarHBondContact CA-O 3.5Å; K194-V219 PolarHBondContact N-O 2.65Å; K194-V219 PolarHBondContact O-N 3.49Å; M196-V219 HydrophobicContact CG-CG2 4.36Å; V219-I221 HydrophobicContact CG1-CG1 4.18Å; V219-I221 PolarHBondContact O-N 3.35Å; V219-I231 HydrophobicContact CG1-CB 4.4Å; V219-I231 HydrophobicContact CG1-CD1 4.2Å; V219-I231 HydrophobicContact CG1-CG1 3.95Å; V219-I231 HydrophobicContact CG1-CG2 4.19Å; V219-F233 HydrophobicContact CG2-CE2 3.81Å; V219-F233 HydrophobicContact CG2-CZ 3.8Å; V219-F250 HydrophobicContact CG2-CD2 4.28Å
220Q97.1Very high96.5Very high125 Ų12577.8 Ų77.858%0.58438%0.375SS*.EExtended strand (participates in β ladder)trans-89.9101.5173.7-65.9-177.82.800110W225Q220-W225 VanDerWaalsContact O-CH2 3.26Å; Q220-W225 WeakPolarHBondContact O-CH2 3.26Å
221I97.6Very high96.8Very high5 Ų575.8 Ų75.83%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-82.2117.1177.9-62.6158.1000108.4L181 V183 G191 C192 K194 V219 W225 L252L181-I221 HydrophobicContact CD2-CD1 4.12Å; L181-I221 HydrophobicContact CD2-CG1 4.34Å; V183-I221 HydrophobicContact CB-CD1 4.48Å; V183-I221 HydrophobicContact CG1-CD1 4.07Å; V183-I221 HydrophobicContact CG1-CG2 4.27Å; V183-I221 HydrophobicContact CG2-CD1 3.5Å; V183-I221 VanDerWaalsContact CG2-CD1 3.5Å; V183-I221 HydrophobicContact CG2-CG1 4.41Å; G191-I221 CarbonylContact C-O 3.6Å; G191-I221 VanDerWaalsContact CA-O 3.23Å; G191-I221 WeakPolarHBondContact CA-O 3.35Å; C192-I221 PolarHBondContact N-O 3.45Å; C192-I221 WeakPolarHBondContact O-CA 3.17Å; C192-I221 WeakPolarHBondContact O-CB 3.47Å; C192-I221 PolarHBondContact O-N 3.12Å; C192-I221 VanDerWaalsContact SG-CD1 3.58Å; K194-I221 HydrophobicContact CB-CD1 4.39Å; K194-I221 HydrophobicContact CD-CD1 3.7Å; K194-I221 HydrophobicContact CG-CD1 3.91Å; V219-I221 HydrophobicContact CG1-CG1 4.18Å; V219-I221 PolarHBondContact O-N 3.35Å; I221-W225 HydrophobicContact CB-CE3 4.43Å; I221-W225 HydrophobicContact CG1-CZ3 4.48Å; I221-W225 HydrophobicContact CG2-CE3 4.12Å; I221-L252 HydrophobicContact CG2-CD1 4.09Å
222K97.1Very high97Very high136 Ų13672.5 Ų72.559%0.59136%0.355SS*.PPolyproline II helixtrans-85.4153.4177.7-52.2-178.3176.4-178.80111.1G224 W225K222-G224 PolarHBondContact O-N 2.94Å; K222-W225 HydrophobicContact CB-CD2 4.39Å; K222-W225 HydrophobicContact CB-CG 4.4Å; K222-W225 HydrophobicContact CB-CZ2 4.32Å; K222-W225 HydrophobicContact CD-CZ2 4.15Å; K222-W225 HydrophobicContact CG-CZ2 3.88Å; K222-W225 WeakPolarHBondContact O-CB 3.48Å; K222-W225 PolarHBondContact O-N 3.2Å
223K97.9Very high97.1Very high97 Ų9770 Ų7042%0.42234%0.336SS..THydrogen-bonded Turntrans-50.8134176-66.3-173.8-177.1-172.70111.6V188 N190 W225 P316 P321V188-K223 WeakPolarHBondContact O-CA 3.11Å; N190-K223 WeakPolarHBondContact O-CE 3.47Å; N190-K223 WeakPolarHBondContact O-CG 3.07Å; K223-W225 VanDerWaalsContact C-N 3.25Å; K223-W225 PolarHBondContact O-N 3.02Å; K223-P316 HydrophobicContact CB-CB 4.18Å; K223-P316 HydrophobicContact CB-CG 4.18Å; K223-P321 HydrophobicContact CB-CB 4.05Å; K223-P321 HydrophobicContact CD-CB 4.47Å
224G97.1Very high97.2Very high0 Ų070.4 Ų70.40%035%0.35CS..THydrogen-bonded Turntrans73.37.9174.300000115.6V188 K222 K226 P316 P318V188-G224 PolarHBondContact O-N 3.41Å; K222-G224 PolarHBondContact O-N 2.94Å; G224-K226 PolarHBondContact O-N 2.97Å; G224-P316 WeakPolarHBondContact CA-O 3.26Å; G224-P318 WeakPolarHBondContact O-CB 3.15Å; G224-P318 VanDerWaalsContact O-CD 3.25Å; G224-P318 WeakPolarHBondContact O-CD 3.34Å; G224-P318 WeakPolarHBondContact O-CG 2.98Å
225W97.4Very high97.2Very high48 Ų4869.9 Ų69.918%0.18235%0.346CS..PPolyproline II helixtrans-54.1134.7174.5-88.312.4000111.7Q220 I221 K222 K223 T229 I231 L252 R262Q220-W225 VanDerWaalsContact O-CH2 3.26Å; Q220-W225 WeakPolarHBondContact O-CH2 3.26Å; I221-W225 HydrophobicContact CB-CE3 4.43Å; I221-W225 HydrophobicContact CG1-CZ3 4.48Å; I221-W225 HydrophobicContact CG2-CE3 4.12Å; K222-W225 HydrophobicContact CB-CD2 4.39Å; K222-W225 HydrophobicContact CB-CG 4.4Å; K222-W225 HydrophobicContact CB-CZ2 4.32Å; K222-W225 HydrophobicContact CD-CZ2 4.15Å; K222-W225 HydrophobicContact CG-CZ2 3.88Å; K222-W225 WeakPolarHBondContact O-CB 3.48Å; K222-W225 PolarHBondContact O-N 3.2Å; K223-W225 VanDerWaalsContact C-N 3.25Å; K223-W225 PolarHBondContact O-N 3.02Å; W225-T229 HydrophobicContact CD2-CG2 3.98Å; W225-T229 HydrophobicContact CE3-CG2 3.89Å; W225-T229 HydrophobicContact CG-CG2 4.5Å; W225-T229 HydrophobicContact CZ3-CG2 4.21Å; W225-I231 HydrophobicContact CH2-CG1 4.07Å; W225-I231 HydrophobicContact CZ3-CD1 3.85Å; W225-I231 HydrophobicContact CZ3-CG1 3.79Å; W225-L252 HydrophobicContact CB-CD1 3.99Å; W225-L252 HydrophobicContact CE3-CD1 3.85Å; W225-R262 PolarHBondContact O-NH1 2.83Å; W225-R262 VanDerWaalsContact O-NH1 3.09Å; W225-R262 PolarHBondContact O-NH2 3.11Å
226K96.3Very high97.1Very high120 Ų12067.6 Ų67.652%0.52234%0.336SS..PPolyproline II helixtrans-81.2150.6-179.2-62.1-173.2177.1-169.30110.2G224 T229 P318G224-K226 PolarHBondContact O-N 2.97Å; K226-T229 WeakPolarHBondContact O-CB 3.26Å; K226-T229 PolarHBondContact O-N 2.69Å; K226-T229 PolarHBondContact O-OG1 3.5Å; K226-P318 HydrophobicContact CG-CG 4.25Å
227E95.9Very high97Very high97 Ų9762.7 Ų62.745%0.45331%0.313SS..THydrogen-bonded Turntrans-51.4142.7165.3-175177.8167.100110.2T229 K253E227-T229 VanDerWaalsContact C-N 3.32Å; E227-T229 PolarHBondContact O-N 2.9Å; E227-K253 HydrophobicContact CG-CD 4.12Å; E227-K253 WeakPolarHBondContact OE1-CD 3.47Å; E227-K253 IonicContact OE1-NZ 3.54Å; E227-K253 PolarHBondContact OE1-NZ 3.39Å
228G96.6Very high96.8Very high36 Ų3665.6 Ų65.637%0.37133%0.329SS..THydrogen-bonded Turntrans87-3.9-179.900000114.4K230 L252G228-K230 PolarHBondContact O-N 3.08Å; G228-L252 PolarHBondContact N-O 3.06Å
229T97.8Very high96.6Very high40 Ų4064.1 Ų64.125%0.24532%0.321CS..  trans-57.1123.9172.3-59.60000109.7W225 K226 E227 L252W225-T229 HydrophobicContact CD2-CG2 3.98Å; W225-T229 HydrophobicContact CE3-CG2 3.89Å; W225-T229 HydrophobicContact CG-CG2 4.5Å; W225-T229 HydrophobicContact CZ3-CG2 4.21Å; K226-T229 WeakPolarHBondContact O-CB 3.26Å; K226-T229 PolarHBondContact O-N 2.69Å; K226-T229 PolarHBondContact O-OG1 3.5Å; E227-T229 VanDerWaalsContact C-N 3.32Å; E227-T229 PolarHBondContact O-N 2.9Å; T229-L252 PolarHBondContact O-N 2.85Å
230K97.9Very high96.1Very high153 Ų15366.6 Ų66.667%0.66534%0.337SS*.EExtended strand (participates in β ladder)trans-97.6131.9-178.3-59-171178.6178.30111.1G228 V249 F250 V251G228-K230 PolarHBondContact O-N 3.08Å; K230-V249 HydrophobicContact CB-CG1 3.97Å; K230-V249 HydrophobicContact CD-CG1 4.33Å; K230-V249 HydrophobicContact CG-CG1 4.35Å; K230-F250 CarbonylContact C-O 3.6Å; K230-F250 WeakPolarHBondContact CA-O 3.4Å; K230-V251 HydrophobicContact CG-CG2 4.28Å
231I97.9Very high95.6Very high27 Ų2763.5 Ų63.514%0.13833%0.327CS..EExtended strand (participates in β ladder)trans-117.8111175.6-54.790.4000107.8V219 W225 F233 V249 F250V219-I231 HydrophobicContact CG1-CB 4.4Å; V219-I231 HydrophobicContact CG1-CD1 4.2Å; V219-I231 HydrophobicContact CG1-CG1 3.95Å; V219-I231 HydrophobicContact CG1-CG2 4.19Å; W225-I231 HydrophobicContact CH2-CG1 4.07Å; W225-I231 HydrophobicContact CZ3-CD1 3.85Å; W225-I231 HydrophobicContact CZ3-CG1 3.79Å; I231-F233 HydrophobicContact CG2-CD2 4.41Å; I231-F233 HydrophobicContact CG2-CE2 3.7Å; I231-F233 HydrophobicContact CG2-CZ 4.13Å; I231-V249 CarbonylContact O-C 3.58Å; I231-V249 WeakPolarHBondContact O-CA 3.44Å; I231-F250 HydrophobicContact CB-CB 4.37Å; I231-F250 WeakPolarHBondContact CD1-O 3.26Å; I231-F250 PolarHBondContact N-O 3.28Å; I231-F250 PolarHBondContact O-N 2.81Å
232T97.8Very high95.1Very high77 Ų7773.5 Ų73.547%0.47237%0.365SS..EExtended strand (participates in β ladder)trans-102.1127.1-175-56.50000111.1D247 V249T232-D247 HydrophobicContact CG2-CB 3.86Å; T232-V249 HydrophobicContact CG2-CG2 4.08Å
233F97.5Very high94.7Very high42 Ų4267.5 Ų67.518%0.18434%0.339CS..EExtended strand (participates in β ladder)trans-107.7108.6168-62.2-95.5000109L217 V219 I231 E236 V248 F250L217-F233 HydrophobicContact CB-CD1 4.26Å; L217-F233 HydrophobicContact CB-CE1 3.95Å; L217-F233 HydrophobicContact CB-CE2 4.26Å; L217-F233 HydrophobicContact CB-CZ 3.95Å; L217-F233 HydrophobicContact CD1-CB 4.07Å; L217-F233 HydrophobicContact CD1-CD1 4.17Å; L217-F233 HydrophobicContact CD1-CD2 3.92Å; L217-F233 HydrophobicContact CD1-CE2 4.4Å; L217-F233 HydrophobicContact CD1-CG 3.79Å; L217-F233 HydrophobicContact CD2-CD1 3.92Å; L217-F233 HydrophobicContact CD2-CE1 4.31Å; L217-F233 HydrophobicContact CD2-CG 4.33Å; L217-F233 HydrophobicContact CG-CD1 4.34Å; L217-F233 HydrophobicContact CG-CG 4.45Å; V219-F233 HydrophobicContact CG2-CE2 3.81Å; V219-F233 HydrophobicContact CG2-CZ 3.8Å; I231-F233 HydrophobicContact CG2-CD2 4.41Å; I231-F233 HydrophobicContact CG2-CE2 3.7Å; I231-F233 HydrophobicContact CG2-CZ 4.13Å; F233-E236 HydrophobicContact CB-CB 4.12Å; F233-E236 HydrophobicContact CB-CG 3.52Å; F233-V248 PolarHBondContact N-O 2.83Å; F233-V248 PolarHBondContact O-N 3.42Å; F233-F250 AromaticContact CD2-CD2 3.77Å; F233-F250 HydrophobicContact CD2-CD2 3.77Å; F233-F250 AromaticContact CD2-CE2 3.89Å; F233-F250 HydrophobicContact CD2-CE2 3.89Å; F233-F250 AromaticContact CE2-CD2 3.57Å; F233-F250 HydrophobicContact CE2-CD2 3.57Å; F233-F250 AromaticContact CE2-CE2 3.82Å; F233-F250 HydrophobicContact CE2-CE2 3.82Å
234A96.9Very high94.4Very high69 Ų6965.4 Ų65.457%0.5733%0.332SS*.THydrogen-bonded Turntrans-66.2134.9-17200000111.7E236 D247A234-E236 PolarHBondContact O-N 2.87Å; A234-E236 VanDerWaalsContact O-N 3.14Å; A234-D247 VanDerWaalsContact CA-OD1 3.25Å; A234-D247 WeakPolarHBondContact CA-OD1 3.28Å
235K95.3Very high94.2Very high115 Ų11565.9 Ų65.950%0.534%0.335SS..THydrogen-bonded Turntrans54.830.2173.9-57.2-179.8-177.6178.50114.6R202 I244 P245 A246 D247R202-K235 PolarHBondContact NH2-O 3.35Å; K235-I244 HydrophobicContact CD-CG2 4.18Å; K235-I244 HydrophobicContact CG-CG2 4.43Å; K235-P245 HydrophobicContact CB-CB 4.01Å; K235-P245 HydrophobicContact CB-CG 4.5Å; K235-A246 CarbonylContact C-O 3.56Å; K235-A246 VanDerWaalsContact CA-O 3.26Å; K235-A246 WeakPolarHBondContact CA-O 3.16Å; K235-D247 PolarHBondContact N-OD1 2.98Å
236E96.3Very high94.1Very high22 Ų2263.8 Ų63.810%0.10333%0.328CS..  trans-87-8178-74.5-59.5157.300113.8I198 R200 K215 L217 F233 A234 A246 V248I198-E236 HydrophobicContact CD1-CB 3.97Å; R200-E236 WeakPolarHBondContact CB-O 3.5Å; R200-E236 WeakPolarHBondContact CD-O 3.48Å; R200-E236 IonicContact CZ-OE2 3.59Å; R200-E236 IonicContact NE-OE2 3.23Å; R200-E236 VanDerWaalsContact NH1-CD 3.32Å; R200-E236 IonicContact NH1-OE1 3.86Å; R200-E236 PolarHBondContact NH1-OE1 3.49Å; R200-E236 IonicContact NH1-OE2 3.98Å; R200-E236 PolarHBondContact NH1-OE2 2.8Å; K215-E236 WeakPolarHBondContact CD-OE2 3.33Å; K215-E236 IonicContact NZ-OE1 3.63Å; K215-E236 PolarHBondContact NZ-OE1 2.87Å; K215-E236 IonicContact NZ-OE2 2.72Å; L217-E236 HydrophobicContact CD1-CB 4.46Å; L217-E236 HydrophobicContact CD1-CG 4.33Å; L217-E236 HydrophobicContact CD2-CG 4.11Å; F233-E236 HydrophobicContact CB-CB 4.12Å; F233-E236 HydrophobicContact CB-CG 3.52Å; A234-E236 PolarHBondContact O-N 2.87Å; A234-E236 VanDerWaalsContact O-N 3.14Å; E236-A246 PolarHBondContact N-O 3.46Å; E236-A246 VanDerWaalsContact N-O 3.13Å; E236-V248 HydrophobicContact CB-CB 3.93Å; E236-V248 HydrophobicContact CB-CG2 3.56Å
237G93.6Very high94.2Very high6 Ų659.9 Ų59.96%0.06231%0.313CS..SBendtrans-75.6-169.6175.400000113.7R202 A246R202-G237 PolarHBondContact NH1-O 3.24Å; R202-G237 PolarHBondContact NH2-O 2.89Å; G237-A246 WeakPolarHBondContact CA-O 3.34Å; G237-A246 PolarHBondContact N-O 3.38Å
238D93.8Very high94.2Very high66 Ų6655.5 Ų55.535%0.35329%0.293SS..  trans-70.6137.2-175.9-79.8-5.3000113.4R200 K201 N243R200-D238 WeakPolarHBondContact CA-OD1 3.45Å; K201-D238 HydrophobicContact CB-CB 4.2Å; K201-D238 PolarHBondContact N-OD1 3.43Å; D238-N243 PolarHBondContact O-ND2 3.23Å
239E92.1Very high94.3Very high63 Ų6354.3 Ų54.329%0.29428%0.278SS..  trans-106.7132.3176-169176.1-15400111.2K201 R202 L203 P245K201-E239 WeakPolarHBondContact O-CB 3.06Å; K201-E239 PolarHBondContact O-N 2.76Å; R202-E239 WeakPolarHBondContact CD-OE2 3.44Å; L203-E239 HydrophobicContact CB-CG 4.29Å; L203-E239 PolarHBondContact N-OE2 2.62Å; E239-P245 HydrophobicContact CB-CG 3.72Å; E239-P245 HydrophobicContact CG-CG 3.79Å
240T88.5Confident94.3Very high55 Ų5552.5 Ų52.534%0.33727%0.267SS..  trans-133.9167.9176.176.50000109.8R242 N243T240-R242 PolarHBondContact O-N 2.68Å; T240-R242 PolarHBondContact OG1-N 2.53Å; T240-N243 WeakPolarHBondContact CA-OD1 3.35Å; T240-N243 WeakPolarHBondContact CB-OD1 3.42Å; T240-N243 PolarHBondContact N-OD1 3.34Å; T240-N243 PolarHBondContact O-OD1 2.96Å; T240-N243 VanDerWaalsContact OG1-CG 3.25Å; T240-N243 PolarHBondContact OG1-N 3.29Å; T240-N243 PolarHBondContact OG1-OD1 3.47Å
241P86.3Confident94.3Very high59 Ų5946.1 Ų46.138%0.38324%0.241SC..THydrogen-bonded Turntrans-59.5-21.6175.8-24.234.4000114.2K171 L203 G207K171-P241 WeakPolarHBondContact CE-O 3.38Å; K171-P241 PolarHBondContact NZ-O 2.92Å; L203-P241 HydrophobicContact CD1-CG 3.7Å; G207-P241 WeakPolarHBondContact O-CG 3.38Å
242R86.9Confident94.4Very high216 Ų21644.8 Ų44.882%0.81523%0.234SC*.THydrogen-bonded Turntrans-104.7-17.3-169.2-63.4-172.1-179.3-161.20.9114.8T240T240-R242 PolarHBondContact O-N 2.68Å; T240-R242 PolarHBondContact OG1-N 2.53Å
243N89.6Confident94.4Very high10 Ų1044.2 Ų44.25%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-115.4166.7-174.874.3-24.2000111.9D174 D238 T240D174-N243 PolarHBondContact OD2-ND2 3.12Å; D238-N243 PolarHBondContact O-ND2 3.23Å; T240-N243 WeakPolarHBondContact CA-OD1 3.35Å; T240-N243 WeakPolarHBondContact CB-OD1 3.42Å; T240-N243 PolarHBondContact N-OD1 3.34Å; T240-N243 PolarHBondContact O-OD1 2.96Å; T240-N243 VanDerWaalsContact OG1-CG 3.25Å; T240-N243 PolarHBondContact OG1-N 3.29Å; T240-N243 PolarHBondContact OG1-OD1 3.47Å
244I90.8Very high94.3Very high52 Ų5243.9 Ų43.927%0.26723%0.225SC..EExtended strand (participates in β ladder)trans-97.3135.7157-59.6169.6000106K171 Q172 Q173 D174 K235 A246K171-I244 HydrophobicContact CB-CD1 4.34Å; K171-I244 HydrophobicContact CB-CG1 3.88Å; K171-I244 WeakPolarHBondContact O-CD1 3.26Å; Q172-I244 PolarHBondContact O-N 2.9Å; Q173-I244 WeakPolarHBondContact CA-O 3.41Å; Q173-I244 HydrophobicContact CB-CB 3.94Å; Q173-I244 HydrophobicContact CB-CG2 4.21Å; Q173-I244 HydrophobicContact CG-CB 4.13Å; Q173-I244 HydrophobicContact CG-CG2 4.01Å; D174-I244 PolarHBondContact N-O 3.26Å; K235-I244 HydrophobicContact CD-CG2 4.18Å; K235-I244 HydrophobicContact CG-CG2 4.43Å; I244-A246 PolarHBondContact O-N 3.03Å
245P93.8Very high94.4Very high11 Ų1146.5 Ų46.57%0.07122%0.223CC..PPolyproline II helixtrans-55.8138-177.1-26.134.3000112.8Q173 K235 E239Q173-P245 WeakPolarHBondContact CG-O 3.5Å; Q173-P245 PolarHBondContact NE2-O 2.98Å; K235-P245 HydrophobicContact CB-CB 4.01Å; K235-P245 HydrophobicContact CB-CG 4.5Å; E239-P245 HydrophobicContact CB-CG 3.72Å; E239-P245 HydrophobicContact CG-CG 3.79Å
246A95Very high94.5Very high4 Ų446.8 Ų46.83%0.03324%0.237CC..PPolyproline II helixtrans-61.2155.3174.300000111.7D174 P175 V177 K235 E236 G237 I244D174-A246 HydrophobicContact CB-CB 3.9Å; P175-A246 VanDerWaalsContact O-CB 3.22Å; P175-A246 WeakPolarHBondContact O-CB 3.43Å; V177-A246 HydrophobicContact CG2-CB 4.15Å; K235-A246 CarbonylContact C-O 3.56Å; K235-A246 VanDerWaalsContact CA-O 3.26Å; K235-A246 WeakPolarHBondContact CA-O 3.16Å; E236-A246 PolarHBondContact N-O 3.46Å; E236-A246 VanDerWaalsContact N-O 3.13Å; G237-A246 WeakPolarHBondContact CA-O 3.34Å; G237-A246 PolarHBondContact N-O 3.38Å; I244-A246 PolarHBondContact O-N 3.03Å
247D97.3Very high94.6Very high38 Ų3848 Ų4820%0.20324%0.243CC..PPolyproline II helixtrans-76.3144.5166.3-70.1-5.1000110.1Q173 P176 V177 T232 A234 K235Q173-D247 PolarHBondContact NE2-OD1 2.76Å; P176-D247 CarbonylContact C-O 3.51Å; P176-D247 VanDerWaalsContact CA-O 3.26Å; P176-D247 WeakPolarHBondContact CA-O 3.39Å; P176-D247 HydrophobicContact CB-CB 4.39Å; V177-D247 PolarHBondContact N-O 2.9Å; T232-D247 HydrophobicContact CG2-CB 3.86Å; A234-D247 VanDerWaalsContact CA-OD1 3.25Å; A234-D247 WeakPolarHBondContact CA-OD1 3.28Å; K235-D247 PolarHBondContact N-OD1 2.98Å
248V97.1Very high94.7Very high4 Ų453.5 Ų53.52%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-99.5122.8169.9176.80000108.3V177 I198 L217 F233 E236 F250V177-V248 HydrophobicContact CB-CG2 4.47Å; V177-V248 CarbonylContact O-C 3.54Å; V177-V248 WeakPolarHBondContact O-CA 3.26Å; I198-V248 HydrophobicContact CD1-CG2 4.4Å; L217-V248 HydrophobicContact CD1-CG1 4.33Å; F233-V248 PolarHBondContact N-O 2.83Å; F233-V248 PolarHBondContact O-N 3.42Å; E236-V248 HydrophobicContact CB-CB 3.93Å; E236-V248 HydrophobicContact CB-CG2 3.56Å; V248-F250 HydrophobicContact CG1-CD2 4.36Å; V248-F250 HydrophobicContact CG1-CE2 3.78Å; V248-F250 HydrophobicContact CG1-CZ 4.12Å
249V98.1Very high94.9Very high11 Ų1153.5 Ų53.57%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-117.4118.2-176.3-177.20000109.5P176 V177 V178 H179 K230 I231 T232 V251P176-V249 HydrophobicContact CB-CG2 3.89Å; V177-V249 PolarHBondContact O-N 2.99Å; V178-V249 CarbonylContact C-O 3.55Å; V178-V249 WeakPolarHBondContact CA-O 3.48Å; V178-V249 HydrophobicContact CG2-CB 4.45Å; H179-V249 PolarHBondContact N-O 2.81Å; K230-V249 HydrophobicContact CB-CG1 3.97Å; K230-V249 HydrophobicContact CD-CG1 4.33Å; K230-V249 HydrophobicContact CG-CG1 4.35Å; I231-V249 CarbonylContact O-C 3.58Å; I231-V249 WeakPolarHBondContact O-CA 3.44Å; T232-V249 HydrophobicContact CG2-CG2 4.08Å; V249-V251 HydrophobicContact CG1-CG2 4.36Å
250F98.4Very high95.2Very high3 Ų351.2 Ų51.21%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-90.4128.3168.2-67.6-84.2000110H179 L181 M196 I198 L217 V219 K230 I231 F233 V248H179-F250 HydrophobicContact CB-CD1 3.66Å; H179-F250 HydrophobicContact CB-CE1 3.67Å; H179-F250 CarbonylContact O-C 3.35Å; H179-F250 VanDerWaalsContact O-CA 3.25Å; H179-F250 WeakPolarHBondContact O-CA 3.27Å; L181-F250 HydrophobicContact CB-CB 4.16Å; L181-F250 HydrophobicContact CB-CD1 4.39Å; L181-F250 HydrophobicContact CD2-CB 4.42Å; M196-F250 HydrophobicContact CB-CE1 3.77Å; M196-F250 HydrophobicContact CB-CE2 4.26Å; M196-F250 HydrophobicContact CB-CZ 3.5Å; M196-F250 HydrophobicContact CE-CD1 4.35Å; M196-F250 HydrophobicContact CE-CE1 3.8Å; M196-F250 HydrophobicContact CG-CD1 4.23Å; M196-F250 HydrophobicContact CG-CE1 3.73Å; M196-F250 HydrophobicContact CG-CZ 3.89Å; I198-F250 HydrophobicContact CG2-CZ 4.2Å; L217-F250 HydrophobicContact CB-CE2 4.46Å; L217-F250 HydrophobicContact CD1-CE2 3.84Å; L217-F250 HydrophobicContact CD1-CZ 4.4Å; V219-F250 HydrophobicContact CG2-CD2 4.28Å; K230-F250 CarbonylContact C-O 3.6Å; K230-F250 WeakPolarHBondContact CA-O 3.4Å; I231-F250 HydrophobicContact CB-CB 4.37Å; I231-F250 WeakPolarHBondContact CD1-O 3.26Å; I231-F250 PolarHBondContact N-O 3.28Å; I231-F250 PolarHBondContact O-N 2.81Å; F233-F250 AromaticContact CD2-CD2 3.77Å; F233-F250 HydrophobicContact CD2-CD2 3.77Å; F233-F250 AromaticContact CD2-CE2 3.89Å; F233-F250 HydrophobicContact CD2-CE2 3.89Å; F233-F250 AromaticContact CE2-CD2 3.57Å; F233-F250 HydrophobicContact CE2-CD2 3.57Å; F233-F250 AromaticContact CE2-CE2 3.82Å; F233-F250 HydrophobicContact CE2-CE2 3.82Å; V248-F250 HydrophobicContact CG1-CD2 4.36Å; V248-F250 HydrophobicContact CG1-CE2 3.78Å; V248-F250 HydrophobicContact CG1-CZ 4.12Å
251V98.4Very high95.6Very high18 Ų1856 Ų5611%0.10929%0.285CS..EExtended strand (participates in β ladder)trans-105.9120.1175.2-175.50000108V178 H179 L181 K230 V249 K253V178-V251 HydrophobicContact CG1-CG2 3.56Å; H179-V251 PolarHBondContact O-N 3.27Å; L181-V251 PolarHBondContact N-O 3.26Å; K230-V251 HydrophobicContact CG-CG2 4.28Å; V249-V251 HydrophobicContact CG1-CG2 4.36Å; V251-K253 PolarHBondContact O-N 3.28Å
252L98.3Very high96.2Very high0 Ų054.7 Ų54.70%027%0.273CS..EExtended strand (participates in β ladder)trans-64.2129178.3-169.1150000110.1V183 I221 W225 G228 T229V183-L252 HydrophobicContact CB-CD2 4.5Å; V183-L252 HydrophobicContact CB-CG 4.35Å; V183-L252 HydrophobicContact CG2-CD1 3.92Å; V183-L252 HydrophobicContact CG2-CD2 4.43Å; V183-L252 HydrophobicContact CG2-CG 3.76Å; I221-L252 HydrophobicContact CG2-CD1 4.09Å; W225-L252 HydrophobicContact CB-CD1 3.99Å; W225-L252 HydrophobicContact CE3-CD1 3.85Å; G228-L252 PolarHBondContact N-O 3.06Å; T229-L252 PolarHBondContact O-N 2.85Å
253K97.9Very high96.6Very high65 Ų6548.9 Ų48.928%0.28326%0.257SS..EExtended strand (participates in β ladder)trans-125.4135.3175.7-70.8-62.5-175.6172.90110.2D180 L181 N182 V183 E227 V251 K255D180-K253 HydrophobicContact CB-CG 4.01Å; L181-K253 PolarHBondContact O-N 3.38Å; N182-K253 CarbonylContact C-O 3.05Å; N182-K253 WeakPolarHBondContact CA-O 3.39Å; N182-K253 WeakPolarHBondContact OD1-CB 3.33Å; V183-K253 PolarHBondContact N-O 3.48Å; E227-K253 HydrophobicContact CG-CD 4.12Å; E227-K253 WeakPolarHBondContact OE1-CD 3.47Å; E227-K253 IonicContact OE1-NZ 3.54Å; E227-K253 PolarHBondContact OE1-NZ 3.39Å; V251-K253 PolarHBondContact O-N 3.28Å; K253-K255 PolarHBondContact O-N 3.26Å
254D97Very high96.9Very high35 Ų3550.3 Ų50.319%0.18728%0.275CS..EExtended strand (participates in β ladder)trans-73.1126.4175.2-71.7-24.3000109.2R262D254-R262 IonicContact OD1-CZ 3.49Å; D254-R262 IonicContact OD1-NH1 3.04Å; D254-R262 PolarHBondContact OD1-NH1 2.78Å; D254-R262 WeakPolarHBondContact OD2-CD 3.49Å; D254-R262 IonicContact OD2-CZ 2.58Å; D254-R262 IonicContact OD2-NE 2.63Å; D254-R262 IonicContact OD2-NH1 3.24Å; D254-R262 PolarHBondContact OD2-NH1 2.78Å
255K97.6Very high97.3Very high123 Ų12348.5 Ų48.554%0.53527%0.267SS..PPolyproline II helixtrans-70.2133.4171.1-173.2-178.5177.6-175.90108.2V183 K253 H257V183-K255 WeakPolarHBondContact O-CB 3.14Å; V183-K255 PolarHBondContact O-N 2.94Å; K253-K255 PolarHBondContact O-N 3.26Å; K255-H257 PolarHBondContact O-N 3.41Å
256P97.2Very high97.5Very high122 Ų12249.6 Ų49.679%0.79227%0.272SS*.PPolyproline II helixtrans-52.7129.6173.6-27.134.8000111.2
257H98Very high97.6Very high46 Ų4649.4 Ų49.421%0.21327%0.271CS..  trans-107.3136.9179.9-173.6-87.6000109.9L185 E186 K255 V259 F260L185-H257 HydrophobicContact CD1-CB 3.68Å; L185-H257 HydrophobicContact CG-CB 4.22Å; E186-H257 IonicContact OE1-CD2 3.3Å; E186-H257 PolarHBondContact OE1-CD2 3.48Å; E186-H257 VanDerWaalsContact OE1-CD2 3.24Å; E186-H257 IonicContact OE1-NE2 3.3Å; E186-H257 PolarHBondContact OE1-NE2 3.23Å; K255-H257 PolarHBondContact O-N 3.41Å; H257-V259 VanDerWaalsContact C-N 3.28Å; H257-V259 PolarHBondContact ND1-N 2.8Å; H257-V259 VanDerWaalsContact ND1-N 3.18Å; H257-V259 PolarHBondContact O-N 2.82Å; H257-F260 WeakPolarHBondContact CB-O 3.24Å; H257-F260 AromaticContact CE1-CD2 3.18Å; H257-F260 WeakPolarHBondContact CE1-CD2 3.44Å; H257-F260 AromaticContact CE1-CE2 3.76Å; H257-F260 AromaticContact ND1-CD2 3.37Å; H257-F260 WeakPolarHBondContact ND1-CD2 3.16Å; H257-F260 AromaticContact ND1-CG 3.82Å; H257-F260 PolarHBondContact ND1-N 2.83Å
258P97.1Very high97.7Very high122 Ų12248.2 Ų48.279%0.79227%0.265SS*.SBendtrans-68.6-22.3-173.224.7-35.1000114.7
259V97.3Very high97.8Very high66 Ų6650.1 Ų50.140%0.427%0.272SS..SBendtrans-119.7-26.4-171179.70000113.2H257 Y269 P287H257-V259 VanDerWaalsContact C-N 3.28Å; H257-V259 PolarHBondContact ND1-N 2.8Å; H257-V259 VanDerWaalsContact ND1-N 3.18Å; H257-V259 PolarHBondContact O-N 2.82Å; V259-Y269 HydrophobicContact CG1-CD2 3.53Å; V259-Y269 HydrophobicContact CG1-CE2 3.64Å; V259-P287 HydrophobicContact CG1-CG 3.85Å
260F98.3Very high97.8Very high16 Ų1652.7 Ų52.77%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-125.3143.7-169.2-59.1-63.8000109.3L185 H257 I267 V268 Y269 P287 L289 L327L185-F260 HydrophobicContact CD1-CB 3.88Å; H257-F260 WeakPolarHBondContact CB-O 3.24Å; H257-F260 AromaticContact CE1-CD2 3.18Å; H257-F260 WeakPolarHBondContact CE1-CD2 3.44Å; H257-F260 AromaticContact CE1-CE2 3.76Å; H257-F260 AromaticContact ND1-CD2 3.37Å; H257-F260 WeakPolarHBondContact ND1-CD2 3.16Å; H257-F260 AromaticContact ND1-CG 3.82Å; H257-F260 PolarHBondContact ND1-N 2.83Å; F260-I267 HydrophobicContact CD1-CD1 4.24Å; F260-I267 HydrophobicContact CE1-CD1 4.41Å; F260-I267 HydrophobicContact CG-CD1 4.47Å; F260-V268 CarbonylContact C-O 3.59Å; F260-V268 VanDerWaalsContact CA-O 3.28Å; F260-V268 WeakPolarHBondContact CA-O 3.28Å; F260-Y269 HydrophobicContact CD1-CD2 4.45Å; F260-Y269 HydrophobicContact CE1-CD2 4.21Å; F260-Y269 HydrophobicContact CE1-CG 4.28Å; F260-P287 HydrophobicContact CE1-CG 4.25Å; F260-P287 WeakPolarHBondContact CE1-O 3.46Å; F260-P287 HydrophobicContact CZ-CB 4.12Å; F260-P287 HydrophobicContact CZ-CG 3.91Å; F260-P287 VanDerWaalsContact CZ-O 3.22Å; F260-P287 WeakPolarHBondContact CZ-O 3.38Å; F260-L289 HydrophobicContact CD2-CD2 3.51Å; F260-L289 HydrophobicContact CD2-CG 4.13Å; F260-L289 HydrophobicContact CE2-CD2 3.82Å; F260-L289 HydrophobicContact CE2-CG 4.2Å; F260-L289 HydrophobicContact CG-CD2 4.44Å; F260-L327 HydrophobicContact CD1-CD1 4.36Å; F260-L327 HydrophobicContact CE1-CD1 4.09Å
261K97.8Very high97.8Very high155 Ų15552.5 Ų52.567%0.67429%0.287SS*.EExtended strand (participates in β ladder)trans-110.8131166.1-175.3-176.6175.9-173.60108.2I267 V268K261-I267 CarbonylContact O-C 3.5Å; K261-I267 WeakPolarHBondContact O-CA 3.17Å; K261-V268 HydrophobicContact CB-CB 4.37Å; K261-V268 PolarHBondContact N-O 2.85Å; K261-V268 PolarHBondContact O-N 3.38Å
262R97.7Very high97.7Very high32 Ų3258.5 Ų58.512%0.12131%0.311CS..EExtended strand (participates in β ladder)trans-74.1139.7175.2-165.5-173.4-177.3161.51.3110.4L185 W225 D254 G264 L315L185-R262 HydrophobicContact CD2-CB 3.91Å; L185-R262 HydrophobicContact CD2-CG 4.2Å; W225-R262 PolarHBondContact O-NH1 2.83Å; W225-R262 VanDerWaalsContact O-NH1 3.09Å; W225-R262 PolarHBondContact O-NH2 3.11Å; D254-R262 IonicContact OD1-CZ 3.49Å; D254-R262 IonicContact OD1-NH1 3.04Å; D254-R262 PolarHBondContact OD1-NH1 2.78Å; D254-R262 WeakPolarHBondContact OD2-CD 3.49Å; D254-R262 IonicContact OD2-CZ 2.58Å; D254-R262 IonicContact OD2-NE 2.63Å; D254-R262 IonicContact OD2-NH1 3.24Å; D254-R262 PolarHBondContact OD2-NH1 2.78Å; R262-G264 PolarHBondContact NE-O 2.79Å; R262-G264 PolarHBondContact NH2-O 3.02Å; R262-L315 HydrophobicContact CG-CD1 3.75Å; R262-L315 VanDerWaalsContact NE-CD1 3.25Å
263D96.6Very high97.7Very high93 Ų9359 Ų5950%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-134.289.7168.6-170.54.5000109S265 D266 V268D263-S265 PolarHBondContact O-N 3.22Å; D263-D266 CarbonylContact C-O 3.57Å; D263-D266 PolarHBondContact N-O 3.14Å; D263-D266 WeakPolarHBondContact O-CA 3.47Å; D263-D266 WeakPolarHBondContact O-CB 3.16Å; D263-D266 PolarHBondContact O-N 3.4Å; D263-V268 HydrophobicContact CB-CG2 4.18Å
264G95.9Very high97.7Very high41 Ų4157.9 Ų57.942%0.42332%0.315SS..THydrogen-bonded Turntrans62.3-110.3-173.500000113.1R262R262-G264 PolarHBondContact NE-O 2.79Å; R262-G264 PolarHBondContact NH2-O 3.02Å
265S97.7Very high97.7Very high13 Ų1358.3 Ų58.39%0.09132%0.317CS..THydrogen-bonded Turntrans-100.1-6.5173.2-77.50000112.6D263 L315 Y317D263-S265 PolarHBondContact O-N 3.22Å; S265-L315 PolarHBondContact O-N 2.96Å; S265-Y317 WeakPolarHBondContact OG-CD1 3.44Å
266D98.4Very high97.6Very high35 Ų3561 Ų6119%0.18732%0.324CS..EExtended strand (participates in β ladder)trans-91.4163.2174.1-59.6-17.6000109.5D263 G325 D326 I328D263-D266 CarbonylContact C-O 3.57Å; D263-D266 PolarHBondContact N-O 3.14Å; D263-D266 WeakPolarHBondContact O-CA 3.47Å; D263-D266 WeakPolarHBondContact O-CB 3.16Å; D263-D266 PolarHBondContact O-N 3.4Å; D266-G325 VanDerWaalsContact OD1-CA 3.28Å; D266-G325 WeakPolarHBondContact OD1-CA 3.26Å; D266-D326 CarbonylContact C-O 3.56Å; D266-D326 VanDerWaalsContact CA-O 3.25Å; D266-D326 WeakPolarHBondContact CA-O 3.49Å; D266-D326 WeakPolarHBondContact CB-O 3.11Å; D266-D326 PolarHBondContact OD1-N 2.92Å; D266-I328 HydrophobicContact CB-CD1 3.78Å; D266-I328 HydrophobicContact CB-CG1 4.25Å
267I98.3Very high97.6Very high0 Ų057.6 Ų57.60%030%0.299CS..EExtended strand (participates in β ladder)trans-128.6139.5172.662.9-178.7000109.4F260 K261 L289 E313 L315 D326 L327 I328F260-I267 HydrophobicContact CD1-CD1 4.24Å; F260-I267 HydrophobicContact CE1-CD1 4.41Å; F260-I267 HydrophobicContact CG-CD1 4.47Å; K261-I267 CarbonylContact O-C 3.5Å; K261-I267 WeakPolarHBondContact O-CA 3.17Å; I267-L289 HydrophobicContact CD1-CD1 3.74Å; I267-L289 HydrophobicContact CD1-CG 3.66Å; I267-L289 HydrophobicContact CG2-CD1 3.97Å; I267-E313 WeakPolarHBondContact CD1-O 3.25Å; I267-L315 HydrophobicContact CG2-CD1 4.33Å; I267-L315 HydrophobicContact CG2-CG 3.99Å; I267-D326 PolarHBondContact N-O 3.43Å; I267-L327 HydrophobicContact CD1-CD1 4.02Å; I267-L327 HydrophobicContact CG1-CB 4.25Å; I267-L327 HydrophobicContact CG1-CD1 3.73Å; I267-L327 CarbonylContact O-C 3.55Å; I267-L327 WeakPolarHBondContact O-CA 3.33Å; I267-I328 PolarHBondContact O-N 2.96Å
268V98.7Very high97.6Very high13 Ų1355.5 Ų55.58%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-104.4125.9179.6-172.60000108.9F260 K261 D263 I328 E330F260-V268 CarbonylContact C-O 3.59Å; F260-V268 VanDerWaalsContact CA-O 3.28Å; F260-V268 WeakPolarHBondContact CA-O 3.28Å; K261-V268 HydrophobicContact CB-CB 4.37Å; K261-V268 PolarHBondContact N-O 2.85Å; K261-V268 PolarHBondContact O-N 3.38Å; D263-V268 HydrophobicContact CB-CG2 4.18Å; V268-I328 CarbonylContact C-O 3.25Å; V268-I328 VanDerWaalsContact CA-O 3.31Å; V268-I328 WeakPolarHBondContact CA-O 3.48Å; V268-I328 HydrophobicContact CG2-CB 4.19Å; V268-I328 HydrophobicContact CG2-CD1 4.26Å; V268-E330 HydrophobicContact CG1-CB 4.01Å
269Y98.6Very high97.6Very high44 Ų4452.9 Ų52.917%0.17327%0.268CS..EExtended strand (participates in β ladder)trans-112.3125.7170.6170.4-116.4000109.3V259 F260 A271 V284 A286 P287 I328 V329 E330V259-Y269 HydrophobicContact CG1-CD2 3.53Å; V259-Y269 HydrophobicContact CG1-CE2 3.64Å; F260-Y269 HydrophobicContact CD1-CD2 4.45Å; F260-Y269 HydrophobicContact CE1-CD2 4.21Å; F260-Y269 HydrophobicContact CE1-CG 4.28Å; Y269-A271 HydrophobicContact CD1-CB 4.28Å; Y269-A271 HydrophobicContact CE1-CB 3.86Å; Y269-A271 PolarHBondContact O-N 3.14Å; Y269-V284 HydrophobicContact CE1-CG1 4.19Å; Y269-A286 HydrophobicContact CD1-CB 3.86Å; Y269-A286 HydrophobicContact CE1-CB 4.02Å; Y269-P287 HydrophobicContact CD2-CG 4.21Å; Y269-P287 HydrophobicContact CE2-CG 3.96Å; Y269-I328 PolarHBondContact N-O 2.7Å; Y269-V329 HydrophobicContact CD1-CG1 4.29Å; Y269-V329 HydrophobicContact CD1-CG2 4.44Å; Y269-V329 WeakPolarHBondContact O-CA 3.08Å; Y269-E330 PolarHBondContact O-N 3.36Å
270T98.4Very high97.5Very high64 Ų6454.5 Ų54.539%0.39328%0.281SS..EExtended strand (participates in β ladder)trans-87.9105176.6-52.70000110.2E330 E332T270-E330 CarbonylContact C-O 3.52Å; T270-E330 WeakPolarHBondContact CA-O 3.36Å; T270-E332 HydrophobicContact CG2-CB 3.76Å
271A98.1Very high97.3Very high0 Ų054.8 Ų54.80%029%0.288CS..EExtended strand (participates in β ladder)trans-86117.4176.300000110.7Y269 V284 V329 E330 F331 E332Y269-A271 HydrophobicContact CD1-CB 4.28Å; Y269-A271 HydrophobicContact CE1-CB 3.86Å; Y269-A271 PolarHBondContact O-N 3.14Å; A271-V284 HydrophobicContact CB-CG1 3.69Å; A271-V284 HydrophobicContact CB-CG2 4.17Å; A271-V329 HydrophobicContact CB-CG1 3.56Å; A271-E330 PolarHBondContact N-O 2.77Å; A271-F331 HydrophobicContact CB-CD1 4.25Å; A271-F331 HydrophobicContact CB-CE1 4.45Å; A271-F331 WeakPolarHBondContact O-CA 3.4Å; A271-E332 PolarHBondContact O-N 3.22Å
272K97.8Very high97.2Very high143 Ų14347.8 Ų47.862%0.62226%0.259SS*.EExtended strand (participates in β ladder)trans-84.8119.1174.8-66.7175-178173.30109.5E332 K334K272-E332 WeakPolarHBondContact CA-O 3.22Å; K272-E332 WeakPolarHBondContact CE-OE2 3.34Å; K272-E332 HydrophobicContact CG-CB 4.37Å; K272-E332 WeakPolarHBondContact CG-OE2 3.37Å; K272-K334 HydrophobicContact CB-CG 4.44Å
273V97.7Very high97.1Very high10 Ų1050.5 Ų50.56%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-123.4146.8178.3-65.40000110.3A278 C282 V284 F331 E332 V333 K334V273-A278 HydrophobicContact CG2-CB 4.27Å; V273-C282 HydrophobicContact CG1-CB 4.4Å; V273-V284 HydrophobicContact CG1-CG2 3.63Å; V273-F331 HydrophobicContact CG1-CD1 3.84Å; V273-F331 HydrophobicContact CG1-CE1 4.19Å; V273-F331 HydrophobicContact CG2-CB 4.48Å; V273-F331 HydrophobicContact CG2-CD1 4.08Å; V273-E332 PolarHBondContact N-O 3.29Å; V273-V333 HydrophobicContact CG2-CG2 4.12Å; V273-V333 CarbonylContact O-C 3.55Å; V273-V333 WeakPolarHBondContact O-CA 3.41Å; V273-K334 PolarHBondContact O-N 3Å
274S98.1Very high97.1Very high43 Ų4346.8 Ų46.830%0.30126%0.26SS..EExtended strand (participates in β ladder)trans-71.4154.8175.876.50000110.7R276 D277 A278S274-R276 PolarHBondContact O-N 3.29Å; S274-R276 PolarHBondContact OG-N 3.27Å; S274-D277 PolarHBondContact O-N 3.02Å; S274-D277 VanDerWaalsContact O-N 3.16Å; S274-D277 PolarHBondContact OG-N 3.07Å; S274-D277 VanDerWaalsContact OG-N 3.1Å; S274-D277 PolarHBondContact OG-OD2 3.08Å; S274-A278 WeakPolarHBondContact O-CB 3.25Å; S274-A278 PolarHBondContact O-N 2.84Å
275L96.9Very high97.2Very high43 Ų4349.9 Ų49.923%0.22526%0.263CS..Hα-helixtrans-54.4-36.8172.1179.764.7000112.2A278 L279 V333 K334 F335L275-A278 PolarHBondContact O-N 3.07Å; L275-L279 HydrophobicContact CD1-CD1 3.98Å; L275-L279 HydrophobicContact CD1-CG 4.11Å; L275-L279 HydrophobicContact CG-CD1 3.95Å; L275-L279 HydrophobicContact CG-CG 4.44Å; L275-L279 WeakPolarHBondContact O-CB 3.49Å; L275-L279 VanDerWaalsContact O-CG 3.29Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 3.34Å; L275-V333 HydrophobicContact CB-CG1 4.2Å; L275-V333 HydrophobicContact CD1-CG1 4.03Å; L275-K334 PolarHBondContact N-O 2.9Å; L275-F335 HydrophobicContact CD1-CE1 4.02Å; L275-F335 HydrophobicContact CD1-CE2 4.3Å; L275-F335 HydrophobicContact CD1-CZ 3.86Å; L275-F335 HydrophobicContact CD2-CD1 3.69Å; L275-F335 HydrophobicContact CD2-CE1 3.64Å; L275-F335 HydrophobicContact CD2-CG 4.42Å; L275-F335 HydrophobicContact CD2-CZ 4.34Å; L275-F335 HydrophobicContact CG-CE1 4.41Å
276R95.8Very high97.2Very high181 Ų18149.2 Ų49.268%0.68326%0.259SS*.Hα-helixtrans-60.3-52.9176.2173.6-177.5173.6-95.14.6111S274 A278 L279 C280S274-R276 PolarHBondContact O-N 3.29Å; S274-R276 PolarHBondContact OG-N 3.27Å; R276-A278 VanDerWaalsContact C-N 3.26Å; R276-A278 PolarHBondContact O-N 3.09Å; R276-L279 PolarHBondContact O-N 2.82Å; R276-C280 WeakPolarHBondContact O-CB 3.41Å; R276-C280 PolarHBondContact O-N 3.44Å; R276-C280 PolarHBondContact O-SG 2.84Å
277D97.3Very high97.2Very high50 Ų5049.4 Ų49.427%0.26726%0.262SS..Hα-helixtrans-69.8-30.4-177.2-48.7-38.5000110.6S274 L279 G281 C282S274-D277 PolarHBondContact O-N 3.02Å; S274-D277 VanDerWaalsContact O-N 3.16Å; S274-D277 PolarHBondContact OG-N 3.07Å; S274-D277 VanDerWaalsContact OG-N 3.1Å; S274-D277 PolarHBondContact OG-OD2 3.08Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 3.21Å; D277-G281 CarbonylContact O-C 3.56Å; D277-G281 VanDerWaalsContact O-CA 3.31Å; D277-G281 WeakPolarHBondContact O-CA 3.44Å; D277-G281 PolarHBondContact O-N 3.45Å; D277-C282 HydrophobicContact CB-CB 3.67Å; D277-C282 PolarHBondContact O-N 3.33Å
278A97.4Very high97.1Very high1 Ų149.6 Ų49.61%0.00826%0.263CS..Hα-helixtrans-64.2-36.6172.600000112.6V273 S274 L275 R276 I301 V302 V333V273-A278 HydrophobicContact CG2-CB 4.27Å; S274-A278 WeakPolarHBondContact O-CB 3.25Å; S274-A278 PolarHBondContact O-N 2.84Å; L275-A278 PolarHBondContact O-N 3.07Å; R276-A278 VanDerWaalsContact C-N 3.26Å; R276-A278 PolarHBondContact O-N 3.09Å; A278-I301 CarbonylContact O-C 3.39Å; A278-I301 WeakPolarHBondContact O-CA 3.49Å; A278-V302 HydrophobicContact CB-CB 4.28Å; A278-V302 PolarHBondContact O-N 2.92Å; A278-V333 HydrophobicContact CB-CG1 3.84Å; A278-V333 HydrophobicContact CB-CG2 3.84Å
279L96.3Very high97Very high67 Ų6749.7 Ų49.735%0.35126%0.263SS..Hα-helixtrans-86.5-30.6-180-67.7173.6000113.8L275 R276 D277 I301 L351L275-L279 HydrophobicContact CD1-CD1 3.98Å; L275-L279 HydrophobicContact CD1-CG 4.11Å; L275-L279 HydrophobicContact CG-CD1 3.95Å; L275-L279 HydrophobicContact CG-CG 4.44Å; L275-L279 WeakPolarHBondContact O-CB 3.49Å; L275-L279 VanDerWaalsContact O-CG 3.29Å; L275-L279 WeakPolarHBondContact O-CG 3.39Å; L275-L279 PolarHBondContact O-N 3.34Å; R276-L279 PolarHBondContact O-N 2.82Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 3.21Å; L279-I301 HydrophobicContact CD2-CG2 4.2Å; L279-L351 HydrophobicContact CD1-CD2 4.47Å
280C95Very high96.6Very high101 Ų10151.2 Ų51.268%0.68227%0.274SS*.Hα-helixtrans-109-0.5-171.3-57.80000114.1R276R276-C280 WeakPolarHBondContact O-CB 3.41Å; R276-C280 PolarHBondContact O-N 3.44Å; R276-C280 PolarHBondContact O-SG 2.84Å
281G94.8Very high96.4Very high21 Ų2151.5 Ų51.522%0.21629%0.29CS..  trans101.7141.7-174.300000112.4D277 S298D277-G281 CarbonylContact O-C 3.56Å; D277-G281 VanDerWaalsContact O-CA 3.31Å; D277-G281 WeakPolarHBondContact O-CA 3.44Å; D277-G281 PolarHBondContact O-N 3.45Å; G281-S298 CarbonylContact C-O 3.41Å; G281-S298 WeakPolarHBondContact CA-O 3.38Å
282C95.4Very high96.3Very high8 Ų856.6 Ų56.65%0.05431%0.309CS..EExtended strand (participates in β ladder)trans-136.1153.7-174.672.40000111.9V273 D277 T297 S298V273-C282 HydrophobicContact CG1-CB 4.4Å; D277-C282 HydrophobicContact CB-CB 3.67Å; D277-C282 PolarHBondContact O-N 3.33Å; C282-T297 WeakPolarHBondContact O-CA 3.34Å; C282-S298 PolarHBondContact N-O 2.59Å; C282-S298 PolarHBondContact O-N 2.83Å
283T96.8Very high96.2Very high90 Ų9053.7 Ų53.755%0.55230%0.304SS*.EExtended strand (participates in β ladder)trans-126.5115.2170.4-60.10000107.9T295 V296 T297T283-T295 HydrophobicContact CG2-CG2 3.37Å; T283-V296 WeakPolarHBondContact CA-O 3.34Å; T283-T297 HydrophobicContact CG2-CG2 3.84Å
284V96.8Very high96.2Very high14 Ų1454.8 Ų54.89%0.08531%0.31CS..EExtended strand (participates in β ladder)trans-105.3133.2-179.41750000109.4Y269 A271 V273 T295 V296 F331Y269-V284 HydrophobicContact CE1-CG1 4.19Å; A271-V284 HydrophobicContact CB-CG1 3.69Å; A271-V284 HydrophobicContact CB-CG2 4.17Å; V273-V284 HydrophobicContact CG1-CG2 3.63Å; V284-T295 WeakPolarHBondContact O-CA 3.15Å; V284-V296 PolarHBondContact N-O 2.79Å; V284-V296 PolarHBondContact O-N 2.91Å; V284-F331 HydrophobicContact CG2-CD1 4.48Å; V284-F331 HydrophobicContact CG2-CE1 3.74Å
285Q97.4Very high96.2Very high106 Ų10656.2 Ų56.250%0.49532%0.317SS..EExtended strand (participates in β ladder)trans-9492.3171.1-68.6-60-8.300108.6T293 T295Q285-T293 HydrophobicContact CB-CG2 3.62Å; Q285-T293 HydrophobicContact CG-CG2 4.39Å; Q285-T293 VanDerWaalsContact OE1-CG2 3.31Å; Q285-T295 VanDerWaalsContact CD-OG1 3.3Å; Q285-T295 PolarHBondContact NE2-OG1 2.67Å; Q285-T295 PolarHBondContact OE1-OG1 3.14Å
286A97.5Very high96.2Very high0 Ų055 Ų550%031%0.311CS..EExtended strand (participates in β ladder)trans-85.3122.7-17600000110.2Y269 T293 V294 V296 L327 V329Y269-A286 HydrophobicContact CD1-CB 3.86Å; Y269-A286 HydrophobicContact CE1-CB 4.02Å; A286-T293 CarbonylContact O-C 3.59Å; A286-T293 WeakPolarHBondContact O-CA 3.44Å; A286-V294 PolarHBondContact N-O 3.44Å; A286-V294 PolarHBondContact O-N 2.77Å; A286-V296 HydrophobicContact CB-CG2 4.43Å; A286-L327 HydrophobicContact CB-CD2 4.09Å; A286-V329 HydrophobicContact CB-CG2 3.97Å
287P97.8Very high96.2Very high38 Ų3850.9 Ų50.925%0.24731%0.306CS..EExtended strand (participates in β ladder)trans-67.9153.6174.329.6-33.3000110.4V259 F260 Y269 R292V259-P287 HydrophobicContact CG1-CG 3.85Å; F260-P287 HydrophobicContact CE1-CG 4.25Å; F260-P287 WeakPolarHBondContact CE1-O 3.46Å; F260-P287 HydrophobicContact CZ-CB 4.12Å; F260-P287 HydrophobicContact CZ-CG 3.91Å; F260-P287 VanDerWaalsContact CZ-O 3.22Å; F260-P287 WeakPolarHBondContact CZ-O 3.38Å; Y269-P287 HydrophobicContact CD2-CG 4.21Å; Y269-P287 HydrophobicContact CE2-CG 3.96Å; P287-R292 WeakPolarHBondContact CA-O 3.39Å
288T97Very high96Very high5 Ų548.7 Ų48.73%0.03130%0.295CS..  trans-112.6161.8172.559.10000110.5D290 G291 R292 V294 E313 L327T288-D290 WeakPolarHBondContact CB-OD1 3.42Å; T288-D290 PolarHBondContact O-N 2.92Å; T288-D290 PolarHBondContact OG1-OD1 2.91Å; T288-G291 PolarHBondContact O-N 2.85Å; T288-G291 VanDerWaalsContact O-N 3.08Å; T288-R292 PolarHBondContact N-O 3.29Å; T288-R292 WeakPolarHBondContact OG1-CA 3.02Å; T288-R292 WeakPolarHBondContact OG1-CB 3.46Å; T288-R292 PolarHBondContact OG1-N 2.92Å; T288-R292 VanDerWaalsContact OG1-N 3.12Å; T288-R292 PolarHBondContact OG1-O 3.33Å; T288-R292 VanDerWaalsContact OG1-O 3.08Å; T288-V294 HydrophobicContact CG2-CG2 3.72Å; T288-E313 HydrophobicContact CG2-CB 4.41Å; T288-E313 HydrophobicContact CG2-CG 4.28Å; T288-L327 HydrophobicContact CG2-CD2 4.45Å
289L95.4Very high95.8Very high14 Ų1454.5 Ų54.57%0.07333%0.331CS..THydrogen-bonded Turntrans-64.7-21.1-179.7-81.7175.1000114.4L185 L189 F260 I267 G291 L315L185-L289 HydrophobicContact CB-CD1 4.13Å; L185-L289 HydrophobicContact CB-CD2 3.67Å; L185-L289 HydrophobicContact CD1-CD2 4.25Å; L189-L289 HydrophobicContact CD2-CB 3.78Å; F260-L289 HydrophobicContact CD2-CD2 3.51Å; F260-L289 HydrophobicContact CD2-CG 4.13Å; F260-L289 HydrophobicContact CE2-CD2 3.82Å; F260-L289 HydrophobicContact CE2-CG 4.2Å; F260-L289 HydrophobicContact CG-CD2 4.44Å; I267-L289 HydrophobicContact CD1-CD1 3.74Å; I267-L289 HydrophobicContact CD1-CG 3.66Å; I267-L289 HydrophobicContact CG2-CD1 3.97Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-L315 HydrophobicContact CD1-CD2 3.49Å; L289-L315 VanDerWaalsContact CD1-CD2 3.49Å; L289-L315 HydrophobicContact CD1-CG 4.13Å
290D92.2Very high95.7Very high76 Ų7656.1 Ų56.141%0.40634%0.34SS..THydrogen-bonded Turntrans-90.68.417664-20.7000113.1L189 T288 R292L189-D290 HydrophobicContact CD2-CB 4.43Å; T288-D290 WeakPolarHBondContact CB-OD1 3.42Å; T288-D290 PolarHBondContact O-N 2.92Å; T288-D290 PolarHBondContact OG1-OD1 2.91Å; D290-R292 IonicContact OD1-CZ 3.64Å; D290-R292 IonicContact OD1-NE 2.75Å; D290-R292 IonicContact OD1-NH2 3.28Å; D290-R292 PolarHBondContact OD1-NH2 3.38Å; D290-R292 IonicContact OD2-CZ 3.17Å; D290-R292 IonicContact OD2-NE 2.83Å; D290-R292 PolarHBondContact OD2-NE 3.14Å; D290-R292 IonicContact OD2-NH2 2.75Å; D290-R292 PolarHBondContact OD2-NH2 3.33Å
291G92.5Very high95.7Very high71 Ų7156.3 Ų56.373%0.73233%0.333SS*.SBendtrans83.77.4173.900000115.1T288 L289T288-G291 PolarHBondContact O-N 2.85Å; T288-G291 VanDerWaalsContact O-N 3.08Å; L289-G291 VanDerWaalsContact C-N 3.31Å
292R95.9Very high95.8Very high107 Ų10755.6 Ų55.640%0.40432%0.324SS..  trans-82.6179.6167.9-64-178.8-70.2107.55.5110.5P287 T288 D290 E313P287-R292 WeakPolarHBondContact CA-O 3.39Å; T288-R292 PolarHBondContact N-O 3.29Å; T288-R292 WeakPolarHBondContact OG1-CA 3.02Å; T288-R292 WeakPolarHBondContact OG1-CB 3.46Å; T288-R292 PolarHBondContact OG1-N 2.92Å; T288-R292 VanDerWaalsContact OG1-N 3.12Å; T288-R292 PolarHBondContact OG1-O 3.33Å; T288-R292 VanDerWaalsContact OG1-O 3.08Å; D290-R292 IonicContact OD1-CZ 3.64Å; D290-R292 IonicContact OD1-NE 2.75Å; D290-R292 IonicContact OD1-NH2 3.28Å; D290-R292 PolarHBondContact OD1-NH2 3.38Å; D290-R292 IonicContact OD2-CZ 3.17Å; D290-R292 IonicContact OD2-NE 2.83Å; D290-R292 PolarHBondContact OD2-NE 3.14Å; D290-R292 IonicContact OD2-NH2 2.75Å; D290-R292 PolarHBondContact OD2-NH2 3.33Å; R292-E313 IonicContact CZ-OE1 3.36Å; R292-E313 IonicContact CZ-OE2 3.88Å; R292-E313 IonicContact NH1-OE1 3.65Å; R292-E313 PolarHBondContact NH1-OE1 3.5Å; R292-E313 VanDerWaalsContact NH2-CD 3.33Å; R292-E313 IonicContact NH2-OE1 2.95Å; R292-E313 PolarHBondContact NH2-OE1 3.09Å; R292-E313 IonicContact NH2-OE2 2.88Å; R292-E313 PolarHBondContact NH2-OE2 3.14Å
293T97.1Very high95.8Very high82 Ų8261.7 Ų61.750%0.50335%0.352SS..EExtended strand (participates in β ladder)trans-130.6136.8172.9-54.90000108.8Q285 A286Q285-T293 HydrophobicContact CB-CG2 3.62Å; Q285-T293 HydrophobicContact CG-CG2 4.39Å; Q285-T293 VanDerWaalsContact OE1-CG2 3.31Å; A286-T293 CarbonylContact O-C 3.59Å; A286-T293 WeakPolarHBondContact O-CA 3.44Å
294V97.3Very high95.8Very high32 Ų3261.8 Ų61.819%0.19435%0.354CS..EExtended strand (participates in β ladder)trans-113.9132.1172.1179.50000109.1A286 T288 V310 E313A286-V294 PolarHBondContact N-O 3.44Å; A286-V294 PolarHBondContact O-N 2.77Å; T288-V294 HydrophobicContact CG2-CG2 3.72Å; V294-V310 HydrophobicContact CB-CG1 4.43Å; V294-V310 HydrophobicContact CG1-CG1 3.83Å; V294-E313 HydrophobicContact CG2-CG 4.34Å
295T97.8Very high95.8Very high74 Ų7462.9 Ų62.945%0.45437%0.368SS..EExtended strand (participates in β ladder)trans-83.4122.9177.4-55.60000110.3T283 V284 Q285 T297T283-T295 HydrophobicContact CG2-CG2 3.37Å; V284-T295 WeakPolarHBondContact O-CA 3.15Å; Q285-T295 VanDerWaalsContact CD-OG1 3.3Å; Q285-T295 PolarHBondContact NE2-OG1 2.67Å; Q285-T295 PolarHBondContact OE1-OG1 3.14Å; T295-T297 HydrophobicContact CG2-CG2 4.17Å
296V96.6Very high95.8Very high16 Ų1660.4 Ų60.410%0.09736%0.357CS..EExtended strand (participates in β ladder)trans-113.9112.7175.7-177.60000108.9T283 V284 A286 R308 V310 V329 F331T283-V296 WeakPolarHBondContact CA-O 3.34Å; V284-V296 PolarHBondContact N-O 2.79Å; V284-V296 PolarHBondContact O-N 2.91Å; A286-V296 HydrophobicContact CB-CG2 4.43Å; V296-R308 HydrophobicContact CG1-CB 4.32Å; V296-V310 HydrophobicContact CG2-CG2 3.54Å; V296-V329 HydrophobicContact CG2-CG2 4.08Å; V296-F331 HydrophobicContact CG1-CZ 4.37Å
297T95.6Very high95.8Very high95 Ų9565.8 Ų65.858%0.58338%0.381SS*.EExtended strand (participates in β ladder)trans-102.7135.4179.453.20000110.9C282 T283 T295C282-T297 WeakPolarHBondContact O-CA 3.34Å; T283-T297 HydrophobicContact CG2-CG2 3.84Å; T295-T297 HydrophobicContact CG2-CG2 4.17Å
298S93.3Very high95.7Very high5 Ų568.2 Ų68.24%0.03539%0.385CS..EExtended strand (participates in β ladder)trans-125.5123.4167.4-167.90000109.1G281 C282 D300 V302G281-S298 CarbonylContact C-O 3.41Å; G281-S298 WeakPolarHBondContact CA-O 3.38Å; C282-S298 PolarHBondContact N-O 2.59Å; C282-S298 PolarHBondContact O-N 2.83Å; S298-D300 PolarHBondContact OG-O 2.84Å; S298-V302 WeakPolarHBondContact OG-CG2 3.31Å
299T93.6Very high95.8Very high122 Ų12276.7 Ų76.775%0.74842%0.416SS*.  trans-89.4-27.517249.60000111.9
300D93.3Very high95.9Very high102 Ų10277.2 Ų77.255%0.54542%0.42SS..SBendtrans-83165.2179.5-50.5-43.9000111.6S298 V302S298-D300 PolarHBondContact OG-O 2.84Å; D300-V302 PolarHBondContact O-N 2.79Å
301I95.4Very high96.1Very high105 Ų10578 Ų7854%0.53843%0.432SS..PPolyproline II helixtrans-58.7124.6174.9-62.3173.2000110A278 L279A278-I301 CarbonylContact O-C 3.39Å; A278-I301 WeakPolarHBondContact O-CA 3.49Å; L279-I301 HydrophobicContact CD2-CG2 4.2Å
302V96.4Very high96.4Very high5 Ų576 Ų763%0.0341%0.411CS..PPolyproline II helixtrans-95.1123.6175.2176.80000109.6A278 S298 D300 M306 F331A278-V302 HydrophobicContact CB-CB 4.28Å; A278-V302 PolarHBondContact O-N 2.92Å; S298-V302 WeakPolarHBondContact OG-CG2 3.31Å; D300-V302 PolarHBondContact O-N 2.79Å; V302-M306 HydrophobicContact CB-SD 4.42Å; V302-M306 HydrophobicContact CG1-CB 4.33Å; V302-M306 HydrophobicContact CG1-SD 4.21Å; V302-M306 HydrophobicContact CG2-SD 4.47Å; V302-F331 HydrophobicContact CG1-CB 3.43Å; V302-F331 VanDerWaalsContact CG1-CB 3.43Å; V302-F331 HydrophobicContact CG1-CD1 3.77Å; V302-F331 HydrophobicContact CG1-CD2 3.87Å; V302-F331 HydrophobicContact CG1-CE1 4.47Å; V302-F331 HydrophobicContact CG1-CG 3.4Å; V302-F331 VanDerWaalsContact CG1-CG 3.4Å
303Q96Very high96.4Very high136 Ų13672 Ų7264%0.63640%0.397SS*.PPolyproline II helixtrans-89.1151.2175.8-61.7-179.78.900111.1G305 M306Q303-G305 PolarHBondContact O-N 2.64Å; Q303-M306 HydrophobicContact CB-CB 4.4Å; Q303-M306 WeakPolarHBondContact O-CB 3.3Å; Q303-M306 PolarHBondContact O-N 3.27Å
304P97.1Very high96.5Very high92 Ų9268.1 Ų68.160%0.59737%0.373SS*.THydrogen-bonded Turntrans-55.5131.8169.1-2030.2000111.2M306 V333P304-M306 PolarHBondContact O-N 3.09Å; P304-V333 HydrophobicContact CB-CG2 4.35Å; P304-V333 HydrophobicContact CG-CB 4.06Å; P304-V333 HydrophobicContact CG-CG2 3.95Å
305G96.3Very high96.5Very high37 Ų3766.6 Ų66.638%0.38136%0.364SS..THydrogen-bonded Turntrans77.5-1.3-177.500000114.6Q303 K307 F331Q303-G305 PolarHBondContact O-N 2.64Å; G305-K307 PolarHBondContact O-N 3.26Å; G305-F331 PolarHBondContact N-O 2.95Å
306M97.3Very high96.6Very high55 Ų5563.3 Ų63.327%0.27134%0.344SS..  trans-57.3140.8172-174.2-179.5-173.100109.5V302 Q303 P304 E330 F331V302-M306 HydrophobicContact CB-SD 4.42Å; V302-M306 HydrophobicContact CG1-CB 4.33Å; V302-M306 HydrophobicContact CG1-SD 4.21Å; V302-M306 HydrophobicContact CG2-SD 4.47Å; Q303-M306 HydrophobicContact CB-CB 4.4Å; Q303-M306 WeakPolarHBondContact O-CB 3.3Å; Q303-M306 PolarHBondContact O-N 3.27Å; P304-M306 PolarHBondContact O-N 3.09Å; M306-E330 WeakPolarHBondContact O-CA 3.43Å; M306-F331 HydrophobicContact CB-CD2 4.5Å; M306-F331 WeakPolarHBondContact O-CD2 3.5Å; M306-F331 PolarHBondContact O-N 2.85Å
307K97.3Very high96.6Very high112 Ų11266 Ų6649%0.48735%0.353SS..EExtended strand (participates in β ladder)trans-116.2136.9179.4-69.4175.3178.6-177.50110.6G305 I328 V329 E330G305-K307 PolarHBondContact O-N 3.26Å; K307-I328 HydrophobicContact CB-CG2 3.95Å; K307-I328 HydrophobicContact CD-CG2 3.85Å; K307-I328 HydrophobicContact CG-CG2 3.92Å; K307-V329 CarbonylContact C-O 3.59Å; K307-V329 WeakPolarHBondContact CA-O 3.29Å; K307-E330 HydrophobicContact CG-CB 4.13Å; K307-E330 HydrophobicContact CG-CG 4.13Å
308R96.6Very high96.5Very high90 Ų9063.9 Ų63.934%0.3434%0.341SS..EExtended strand (participates in β ladder)trans-120.1140.3167.6-69.2-72.1-167.9176.93.4108.9V296 I328 V329 F331V296-R308 HydrophobicContact CG1-CB 4.32Å; R308-I328 CarbonylContact O-C 2.95Å; R308-V329 PolarHBondContact N-O 2.57Å; R308-V329 PolarHBondContact O-N 3.33Å; R308-F331 HydrophobicContact CB-CE2 3.99Å; R308-F331 HydrophobicContact CG-CE2 3.57Å; R308-F331 HydrophobicContact CG-CZ 4.25Å
309R98.1Very high96.6Very high182 Ų18273.3 Ų73.369%0.68738%0.381SS*.EExtended strand (participates in β ladder)trans-101135.3179.3-68.8-176.6176.8151.7-1.5110.3I328R309-I328 HydrophobicContact CG-CG1 4.45Å
310V97.8Very high96.7Very high25 Ų2573.3 Ų73.315%0.15237%0.367CS..EExtended strand (participates in β ladder)trans-113.6106.7168.5177.70000106.7V294 V296 E313 L327 V329V294-V310 HydrophobicContact CB-CG1 4.43Å; V294-V310 HydrophobicContact CG1-CG1 3.83Å; V296-V310 HydrophobicContact CG2-CG2 3.54Å; V310-E313 HydrophobicContact CG1-CB 4.23Å; V310-E313 HydrophobicContact CG1-CG 3.76Å; V310-L327 HydrophobicContact CB-CB 4.18Å; V310-L327 PolarHBondContact N-O 2.85Å; V310-L327 PolarHBondContact O-N 3.49Å; V310-V329 HydrophobicContact CG2-CG2 4.44Å
311S97.8Very high96.7Very high94 Ų9471.6 Ų71.666%0.65736%0.362SS*.THydrogen-bonded Turntrans-69.9139.9-168.8-64.10000113.3E313 D326S311-E313 VanDerWaalsContact C-N 3.28Å; S311-E313 PolarHBondContact O-N 3.18Å; S311-D326 WeakPolarHBondContact CA-OD1 3.39Å
312G97Very high96.7Very high29 Ų2972.8 Ų72.830%0.29937%0.369SS..THydrogen-bonded Turntrans77.56.7174.700000115.6R324 G325 D326G312-R324 WeakPolarHBondContact O-CB 3.48Å; G312-R324 WeakPolarHBondContact O-CD 3.26Å; G312-R324 PolarHBondContact O-NE 2.86Å; G312-R324 PolarHBondContact O-NH1 2.73Å; G312-R324 VanDerWaalsContact O-NH1 3.12Å; G312-G325 CarbonylContact C-O 3.59Å; G312-G325 VanDerWaalsContact C-O 3.25Å; G312-G325 WeakPolarHBondContact CA-O 3.01Å; G312-G325 PolarHBondContact N-O 3.13Å; G312-D326 PolarHBondContact N-OD1 3.29Å
313E97.8Very high96.7Very high23 Ų2378.3 Ų78.311%0.10739%0.39CS..  trans-1018.8179.2-66.2-66.5-170.500114.4I267 T288 R292 V294 V310 S311 R324 G325 L327I267-E313 WeakPolarHBondContact CD1-O 3.25Å; T288-E313 HydrophobicContact CG2-CB 4.41Å; T288-E313 HydrophobicContact CG2-CG 4.28Å; R292-E313 IonicContact CZ-OE1 3.36Å; R292-E313 IonicContact CZ-OE2 3.88Å; R292-E313 IonicContact NH1-OE1 3.65Å; R292-E313 PolarHBondContact NH1-OE1 3.5Å; R292-E313 VanDerWaalsContact NH2-CD 3.33Å; R292-E313 IonicContact NH2-OE1 2.95Å; R292-E313 PolarHBondContact NH2-OE1 3.09Å; R292-E313 IonicContact NH2-OE2 2.88Å; R292-E313 PolarHBondContact NH2-OE2 3.14Å; V294-E313 HydrophobicContact CG2-CG 4.34Å; V310-E313 HydrophobicContact CG1-CB 4.23Å; V310-E313 HydrophobicContact CG1-CG 3.76Å; S311-E313 VanDerWaalsContact C-N 3.28Å; S311-E313 PolarHBondContact O-N 3.18Å; E313-R324 VanDerWaalsContact C-NH2 3.26Å; E313-R324 PolarHBondContact O-NH2 2.8Å; E313-R324 IonicContact OE2-CZ 3.52Å; E313-R324 IonicContact OE2-NH1 3.72Å; E313-R324 PolarHBondContact OE2-NH1 3Å; E313-R324 IonicContact OE2-NH2 3.77Å; E313-G325 PolarHBondContact N-O 2.96Å; E313-L327 HydrophobicContact CB-CB 3.64Å; E313-L327 HydrophobicContact CB-CD2 4.48Å
314G97.9Very high96.8Very high0 Ų074.6 Ų74.60%037%0.369CS..SBendtrans-85.6-155.4174.600000114.6R324 G325 D326G314-R324 PolarHBondContact O-NE 2.91Å; G314-R324 PolarHBondContact O-NH2 2.92Å; G314-G325 WeakPolarHBondContact CA-O 3.48Å; G314-G325 PolarHBondContact N-O 2.75Å; G314-D326 WeakPolarHBondContact CA-O 3.45Å
315L98.3Very high96.8Very high0 Ų070.2 Ų70.20%034%0.341CS..PPolyproline II helixtrans-86.7157175.7-68.9170.9000111.7L185 V188 L189 R262 S265 I267 L289 R324 G325L185-L315 HydrophobicContact CD2-CD1 4.25Å; L185-L315 WeakPolarHBondContact O-CD2 3.43Å; V188-L315 HydrophobicContact CB-CD2 4.28Å; V188-L315 HydrophobicContact CG1-CD1 4.05Å; V188-L315 HydrophobicContact CG1-CD2 4.15Å; L189-L315 HydrophobicContact CB-CD2 4.05Å; R262-L315 HydrophobicContact CG-CD1 3.75Å; R262-L315 VanDerWaalsContact NE-CD1 3.25Å; S265-L315 PolarHBondContact O-N 2.96Å; I267-L315 HydrophobicContact CG2-CD1 4.33Å; I267-L315 HydrophobicContact CG2-CG 3.99Å; L289-L315 HydrophobicContact CD1-CD2 3.49Å; L289-L315 VanDerWaalsContact CD1-CD2 3.49Å; L289-L315 HydrophobicContact CD1-CG 4.13Å; L315-R324 CarbonylContact O-C 3.56Å; L315-R324 VanDerWaalsContact O-CA 3.32Å; L315-R324 WeakPolarHBondContact O-CA 3.39Å; L315-G325 PolarHBondContact O-N 2.82Å
316P98.3Very high96.9Very high4 Ų469.9 Ų69.93%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-61.5150.6175.2-21.534.2000112.2L189 K223 G224 P321 R323L189-P316 HydrophobicContact CD1-CG 4.05Å; L189-P316 WeakPolarHBondContact O-CG 3.33Å; K223-P316 HydrophobicContact CB-CB 4.18Å; K223-P316 HydrophobicContact CB-CG 4.18Å; G224-P316 WeakPolarHBondContact CA-O 3.26Å; P316-P321 HydrophobicContact CB-CB 4.43Å; P316-R323 CarbonylContact C-O 3.56Å; P316-R323 WeakPolarHBondContact CA-O 3.45Å
317Y97.5Very high97Very high72 Ų7267.3 Ų67.328%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-78.7132.1168.9-65.4-70.8000110.3S265 K319 R320 P321 R323 R324S265-Y317 WeakPolarHBondContact OG-CD1 3.44Å; Y317-K319 PolarHBondContact O-N 3.01Å; Y317-K319 VanDerWaalsContact O-N 3.08Å; Y317-R320 CarbonylContact O-C 3.55Å; Y317-R320 PolarHBondContact O-N 3.38Å; Y317-P321 WeakPolarHBondContact O-CA 3.48Å; Y317-P321 VanDerWaalsContact O-N 3.14Å; Y317-R323 HydrophobicContact CD2-CB 3.72Å; Y317-R323 WeakPolarHBondContact CD2-O 3.41Å; Y317-R323 HydrophobicContact CE2-CB 4.16Å; Y317-R323 PolarHBondContact N-O 3.23Å; Y317-R324 VanDerWaalsContact CE2-C 3.45Å; Y317-R324 VanDerWaalsContact CE2-O 3.29Å; Y317-R324 WeakPolarHBondContact CE2-O 3.22Å
318P94.5Very high97Very high51 Ų5162.4 Ų62.433%0.33130%0.297SS..THydrogen-bonded Turntrans-61-28-173.56.5-15.5000114.8G224 K226G224-P318 WeakPolarHBondContact O-CB 3.15Å; G224-P318 VanDerWaalsContact O-CD 3.25Å; G224-P318 WeakPolarHBondContact O-CD 3.34Å; G224-P318 WeakPolarHBondContact O-CG 2.98Å; K226-P318 HydrophobicContact CG-CG 4.25Å
319K94.1Very high97.1Very high204 Ų20458.1 Ų58.189%0.88728%0.281SS*.THydrogen-bonded Turntrans-92-16.7176.3-64.8-174.1-179.5179.70113.7Y317Y317-K319 PolarHBondContact O-N 3.01Å; Y317-K319 VanDerWaalsContact O-N 3.08Å
320R95.4Very high97.1Very high122 Ų12252.4 Ų52.446%0.4626%0.262SS..EExtended strand (participates in β ladder)trans-140.672.4-177.6-69.9-169.1-61.7-174.2-1.8108.8Y317 D322 R323Y317-R320 CarbonylContact O-C 3.55Å; Y317-R320 PolarHBondContact O-N 3.38Å; R320-D322 WeakPolarHBondContact CA-OD1 3.37Å; R320-D322 WeakPolarHBondContact CB-OD1 3.34Å; R320-D322 PolarHBondContact O-N 3.3Å; R320-R323 PolarHBondContact O-N 3.13Å; R320-R323 VanDerWaalsContact O-O 3.06Å
321P93.5Very high97.1Very high66 Ų6651.2 Ų51.243%0.42926%0.255SS..EExtended strand (participates in β ladder)trans-69.9-10-171.629.5-36.2000113.4K223 P316 Y317 R323K223-P321 HydrophobicContact CB-CB 4.05Å; K223-P321 HydrophobicContact CD-CB 4.47Å; P316-P321 HydrophobicContact CB-CB 4.43Å; Y317-P321 WeakPolarHBondContact O-CA 3.48Å; Y317-P321 VanDerWaalsContact O-N 3.14Å; P321-R323 VanDerWaalsContact C-N 3.3Å
322D94.7Very high97.2Very high129 Ų12950.1 Ų50.169%0.6924%0.239SC*.EExtended strand (participates in β ladder)trans-71.4-23.2168.959.3-58.4000112.9R320R320-D322 WeakPolarHBondContact CA-OD1 3.37Å; R320-D322 WeakPolarHBondContact CB-OD1 3.34Å; R320-D322 PolarHBondContact O-N 3.3Å
323R96.9Very high97.2Very high122 Ų12249.5 Ų49.546%0.4623%0.229SC..EExtended strand (participates in β ladder)trans-106.4146176-69.7-176.560.2174.3-1.2110.7P316 Y317 R320 P321P316-R323 CarbonylContact C-O 3.56Å; P316-R323 WeakPolarHBondContact CA-O 3.45Å; Y317-R323 HydrophobicContact CD2-CB 3.72Å; Y317-R323 WeakPolarHBondContact CD2-O 3.41Å; Y317-R323 HydrophobicContact CE2-CB 4.16Å; Y317-R323 PolarHBondContact N-O 3.23Å; R320-R323 PolarHBondContact O-N 3.13Å; R320-R323 VanDerWaalsContact O-O 3.06Å; P321-R323 VanDerWaalsContact C-N 3.3Å
324R97.7Very high97.2Very high57 Ų5752.6 Ų52.622%0.21524%0.243CC..EExtended strand (participates in β ladder)trans-117.9153.2178.1-63.7172.268.6-158.61.6110.4G312 E313 G314 L315 Y317G312-R324 WeakPolarHBondContact O-CB 3.48Å; G312-R324 WeakPolarHBondContact O-CD 3.26Å; G312-R324 PolarHBondContact O-NE 2.86Å; G312-R324 PolarHBondContact O-NH1 2.73Å; G312-R324 VanDerWaalsContact O-NH1 3.12Å; E313-R324 VanDerWaalsContact C-NH2 3.26Å; E313-R324 PolarHBondContact O-NH2 2.8Å; E313-R324 IonicContact OE2-CZ 3.52Å; E313-R324 IonicContact OE2-NH1 3.72Å; E313-R324 PolarHBondContact OE2-NH1 3Å; E313-R324 IonicContact OE2-NH2 3.77Å; G314-R324 PolarHBondContact O-NE 2.91Å; G314-R324 PolarHBondContact O-NH2 2.92Å; L315-R324 CarbonylContact O-C 3.56Å; L315-R324 VanDerWaalsContact O-CA 3.32Å; L315-R324 WeakPolarHBondContact O-CA 3.39Å; Y317-R324 VanDerWaalsContact CE2-C 3.45Å; Y317-R324 VanDerWaalsContact CE2-O 3.29Å; Y317-R324 WeakPolarHBondContact CE2-O 3.22Å
325G98.1Very high97.2Very high0 Ų059.4 Ų59.40%027%0.273CS..  trans-70.7-161.7161.500000111.3D266 G312 E313 G314 L315D266-G325 VanDerWaalsContact OD1-CA 3.28Å; D266-G325 WeakPolarHBondContact OD1-CA 3.26Å; G312-G325 CarbonylContact C-O 3.59Å; G312-G325 VanDerWaalsContact C-O 3.25Å; G312-G325 WeakPolarHBondContact CA-O 3.01Å; G312-G325 PolarHBondContact N-O 3.13Å; E313-G325 PolarHBondContact N-O 2.96Å; G314-G325 WeakPolarHBondContact CA-O 3.48Å; G314-G325 PolarHBondContact N-O 2.75Å; L315-G325 PolarHBondContact O-N 2.82Å
326D98.6Very high97Very high31 Ų3162.6 Ų62.617%0.16629%0.293CS..  trans-112.3156.5-169.2-65.7-9.8000112.4D266 I267 S311 G312 G314D266-D326 CarbonylContact C-O 3.56Å; D266-D326 VanDerWaalsContact CA-O 3.25Å; D266-D326 WeakPolarHBondContact CA-O 3.49Å; D266-D326 WeakPolarHBondContact CB-O 3.11Å; D266-D326 PolarHBondContact OD1-N 2.92Å; I267-D326 PolarHBondContact N-O 3.43Å; S311-D326 WeakPolarHBondContact CA-OD1 3.39Å; G312-D326 PolarHBondContact N-OD1 3.29Å; G314-D326 WeakPolarHBondContact CA-O 3.45Å
327L98.6Very high97Very high0 Ų071.5 Ų71.50%034%0.335CS..EExtended strand (participates in β ladder)trans-89.8118.4163168.465.4000108.2F260 I267 A286 T288 V310 E313 V329F260-L327 HydrophobicContact CD1-CD1 4.36Å; F260-L327 HydrophobicContact CE1-CD1 4.09Å; I267-L327 HydrophobicContact CD1-CD1 4.02Å; I267-L327 HydrophobicContact CG1-CB 4.25Å; I267-L327 HydrophobicContact CG1-CD1 3.73Å; I267-L327 CarbonylContact O-C 3.55Å; I267-L327 WeakPolarHBondContact O-CA 3.33Å; A286-L327 HydrophobicContact CB-CD2 4.09Å; T288-L327 HydrophobicContact CG2-CD2 4.45Å; V310-L327 HydrophobicContact CB-CB 4.18Å; V310-L327 PolarHBondContact N-O 2.85Å; V310-L327 PolarHBondContact O-N 3.49Å; E313-L327 HydrophobicContact CB-CB 3.64Å; E313-L327 HydrophobicContact CB-CD2 4.48Å; L327-V329 HydrophobicContact CD2-CG2 4.44Å; L327-V329 HydrophobicContact CG-CG2 4.22Å
328I98.6Very high96.9Very high10 Ų1078.7 Ų78.75%0.05136%0.361CS..EExtended strand (participates in β ladder)trans-96.8107.8177.1-56.7172.7000107.6D266 I267 V268 Y269 K307 R308 R309 E330D266-I328 HydrophobicContact CB-CD1 3.78Å; D266-I328 HydrophobicContact CB-CG1 4.25Å; I267-I328 PolarHBondContact O-N 2.96Å; V268-I328 CarbonylContact C-O 3.25Å; V268-I328 VanDerWaalsContact CA-O 3.31Å; V268-I328 WeakPolarHBondContact CA-O 3.48Å; V268-I328 HydrophobicContact CG2-CB 4.19Å; V268-I328 HydrophobicContact CG2-CD1 4.26Å; Y269-I328 PolarHBondContact N-O 2.7Å; K307-I328 HydrophobicContact CB-CG2 3.95Å; K307-I328 HydrophobicContact CD-CG2 3.85Å; K307-I328 HydrophobicContact CG-CG2 3.92Å; R308-I328 CarbonylContact O-C 2.95Å; R309-I328 HydrophobicContact CG-CG1 4.45Å; I328-E330 PolarHBondContact O-N 2.81Å
329V98.3Very high96.9Very high0 Ų079.6 Ų79.60%036%0.363CS..EExtended strand (participates in β ladder)trans-86107.6172.8-176.90000108.5Y269 A271 A286 V296 K307 R308 V310 L327 F331Y269-V329 HydrophobicContact CD1-CG1 4.29Å; Y269-V329 HydrophobicContact CD1-CG2 4.44Å; Y269-V329 WeakPolarHBondContact O-CA 3.08Å; A271-V329 HydrophobicContact CB-CG1 3.56Å; A286-V329 HydrophobicContact CB-CG2 3.97Å; V296-V329 HydrophobicContact CG2-CG2 4.08Å; K307-V329 CarbonylContact C-O 3.59Å; K307-V329 WeakPolarHBondContact CA-O 3.29Å; R308-V329 PolarHBondContact N-O 2.57Å; R308-V329 PolarHBondContact O-N 3.33Å; V310-V329 HydrophobicContact CG2-CG2 4.44Å; L327-V329 HydrophobicContact CD2-CG2 4.44Å; L327-V329 HydrophobicContact CG-CG2 4.22Å; V329-F331 HydrophobicContact CG1-CE1 4.38Å; V329-F331 HydrophobicContact CG1-CE2 4.08Å; V329-F331 HydrophobicContact CG1-CZ 3.98Å
330E98.3Very high97.1Very high61 Ų6173.4 Ų73.429%0.28535%0.345SS..EExtended strand (participates in β ladder)trans-96.4125.1175.4-176.3171.7179.400109.9V268 Y269 T270 A271 M306 K307 I328V268-E330 HydrophobicContact CG1-CB 4.01Å; Y269-E330 PolarHBondContact O-N 3.36Å; T270-E330 CarbonylContact C-O 3.52Å; T270-E330 WeakPolarHBondContact CA-O 3.36Å; A271-E330 PolarHBondContact N-O 2.77Å; M306-E330 WeakPolarHBondContact O-CA 3.43Å; K307-E330 HydrophobicContact CG-CB 4.13Å; K307-E330 HydrophobicContact CG-CG 4.13Å; I328-E330 PolarHBondContact O-N 2.81Å
331F98.2Very high97.2Very high1 Ų175.5 Ų75.50%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-89.4119.5-174.4-68.4-90.1000111.8A271 V273 V284 V296 V302 G305 M306 R308 V329A271-F331 HydrophobicContact CB-CD1 4.25Å; A271-F331 HydrophobicContact CB-CE1 4.45Å; A271-F331 WeakPolarHBondContact O-CA 3.4Å; V273-F331 HydrophobicContact CG1-CD1 3.84Å; V273-F331 HydrophobicContact CG1-CE1 4.19Å; V273-F331 HydrophobicContact CG2-CB 4.48Å; V273-F331 HydrophobicContact CG2-CD1 4.08Å; V284-F331 HydrophobicContact CG2-CD1 4.48Å; V284-F331 HydrophobicContact CG2-CE1 3.74Å; V296-F331 HydrophobicContact CG1-CZ 4.37Å; V302-F331 HydrophobicContact CG1-CB 3.43Å; V302-F331 VanDerWaalsContact CG1-CB 3.43Å; V302-F331 HydrophobicContact CG1-CD1 3.77Å; V302-F331 HydrophobicContact CG1-CD2 3.87Å; V302-F331 HydrophobicContact CG1-CE1 4.47Å; V302-F331 HydrophobicContact CG1-CG 3.4Å; V302-F331 VanDerWaalsContact CG1-CG 3.4Å; G305-F331 PolarHBondContact N-O 2.95Å; M306-F331 HydrophobicContact CB-CD2 4.5Å; M306-F331 WeakPolarHBondContact O-CD2 3.5Å; M306-F331 PolarHBondContact O-N 2.85Å; R308-F331 HydrophobicContact CB-CE2 3.99Å; R308-F331 HydrophobicContact CG-CE2 3.57Å; R308-F331 HydrophobicContact CG-CZ 4.25Å; V329-F331 HydrophobicContact CG1-CE1 4.38Å; V329-F331 HydrophobicContact CG1-CE2 4.08Å; V329-F331 HydrophobicContact CG1-CZ 3.98Å
332E98Very high97.4Very high70 Ų7078 Ų7833%0.32737%0.368SS..EExtended strand (participates in β ladder)trans-100.2108.7168.8-171.6-171.817800109.1T270 A271 K272 V273 K334T270-E332 HydrophobicContact CG2-CB 3.76Å; A271-E332 PolarHBondContact O-N 3.22Å; K272-E332 WeakPolarHBondContact CA-O 3.22Å; K272-E332 WeakPolarHBondContact CE-OE2 3.34Å; K272-E332 HydrophobicContact CG-CB 4.37Å; K272-E332 WeakPolarHBondContact CG-OE2 3.37Å; V273-E332 PolarHBondContact N-O 3.29Å; E332-K334 WeakPolarHBondContact OE1-CE 3.4Å; E332-K334 IonicContact OE1-NZ 2.59Å; E332-K334 PolarHBondContact OE1-NZ 3.03Å; E332-K334 IonicContact OE2-NZ 3.43Å; E332-K334 PolarHBondContact OE2-NZ 2.98Å
333V98Very high97.4Very high16 Ų1673.2 Ų73.210%0.09735%0.346CS..EExtended strand (participates in β ladder)trans-82.4121.2-179.7-1760000110.3V273 L275 A278 P304 F335V273-V333 HydrophobicContact CG2-CG2 4.12Å; V273-V333 CarbonylContact O-C 3.55Å; V273-V333 WeakPolarHBondContact O-CA 3.41Å; L275-V333 HydrophobicContact CB-CG1 4.2Å; L275-V333 HydrophobicContact CD1-CG1 4.03Å; A278-V333 HydrophobicContact CB-CG1 3.84Å; A278-V333 HydrophobicContact CB-CG2 3.84Å; P304-V333 HydrophobicContact CB-CG2 4.35Å; P304-V333 HydrophobicContact CG-CB 4.06Å; P304-V333 HydrophobicContact CG-CG2 3.95Å; V333-F335 HydrophobicContact CG1-CE2 4.33Å
334K98.1Very high97.3Very high89 Ų8974.3 Ų74.339%0.38735%0.35SS..EExtended strand (participates in β ladder)trans-94115.7176.5-62.9-59.1-170.4-177.80110.5K272 V273 L275 E332K272-K334 HydrophobicContact CB-CG 4.44Å; V273-K334 PolarHBondContact O-N 3Å; L275-K334 PolarHBondContact N-O 2.9Å; E332-K334 WeakPolarHBondContact OE1-CE 3.4Å; E332-K334 IonicContact OE1-NZ 2.59Å; E332-K334 PolarHBondContact OE1-NZ 3.03Å; E332-K334 IonicContact OE2-NZ 3.43Å; E332-K334 PolarHBondContact OE2-NZ 2.98Å
335F96.7Very high97.2Very high143 Ų14375.2 Ų75.263%0.62736%0.359SS*.  trans-76.2145.1171.4-79.3-107000110.5L275 V333L275-F335 HydrophobicContact CD1-CE1 4.02Å; L275-F335 HydrophobicContact CD1-CE2 4.3Å; L275-F335 HydrophobicContact CD1-CZ 3.86Å; L275-F335 HydrophobicContact CD2-CD1 3.69Å; L275-F335 HydrophobicContact CD2-CE1 3.64Å; L275-F335 HydrophobicContact CD2-CG 4.42Å; L275-F335 HydrophobicContact CD2-CZ 4.34Å; L275-F335 HydrophobicContact CG-CE1 4.41Å; V333-F335 HydrophobicContact CG1-CE2 4.33Å
336P95.9Very high97.1Very high66 Ų6678.4 Ų78.443%0.42938%0.378SS..  trans-67.5138.917328.8-33.5000110.5R338 L339P336-R338 VanDerWaalsContact C-N 3.28Å; P336-R338 PolarHBondContact O-N 3.34Å; P336-L339 HydrophobicContact CB-CD2 4.29Å; P336-L339 HydrophobicContact CG-CD1 4.34Å; P336-L339 HydrophobicContact CG-CD2 3.85Å; P336-L339 HydrophobicContact CG-CG 4.05Å
337E96.6Very high96.9Very high192 Ų19280.2 Ų80.290%0.89739%0.388SS*.SBendtrans-68.3-28.5179-63.7-177.117700112.8
338R95.8Very high96.7Very high222 Ų22285 Ų8584%0.83842%0.417SS*.  trans-144.2149.9-178.6-60.2-175-175.8-134.2-0.5110.8P336P336-R338 VanDerWaalsContact C-N 3.28Å; P336-R338 PolarHBondContact O-N 3.34Å
339L95.6Very high96.6Very high70 Ų7092.3 Ų92.337%0.36645%0.451SS..  trans-136138.6174-70.2173.2000109.1P336 A343 R344 I347P336-L339 HydrophobicContact CB-CD2 4.29Å; P336-L339 HydrophobicContact CG-CD1 4.34Å; P336-L339 HydrophobicContact CG-CD2 3.85Å; P336-L339 HydrophobicContact CG-CG 4.05Å; L339-A343 HydrophobicContact CD2-CB 4.41Å; L339-R344 HydrophobicContact CB-CG 3.81Å; L339-R344 HydrophobicContact CD1-CG 4.42Å; L339-R344 PolarHBondContact O-NE 3.04Å; L339-I347 HydrophobicContact CD1-CD1 3.92Å; L339-I347 HydrophobicContact CD2-CD1 4.49Å
340S97.3Very high96.4Very high75 Ų7597.5 Ų97.552%0.52448%0.482SS..  trans-66.7157.9172.670.30000110.8N342 A343 R344S340-N342 VanDerWaalsContact C-N 3.31Å; S340-N342 PolarHBondContact O-N 2.71Å; S340-A343 PolarHBondContact O-N 3.2Å; S340-A343 WeakPolarHBondContact OG-CB 3.4Å; S340-A343 PolarHBondContact OG-N 2.73Å; S340-R344 WeakPolarHBondContact O-CG 3.08Å; S340-R344 PolarHBondContact O-N 3.07Å
341K97.1Very high96.1Very high165 Ų16598.5 Ų98.572%0.71749%0.489SS*.Hα-helixtrans-54.8-48.2177.5-173.9179.1176.4-175.30111.5A343 R344 D345K341-A343 VanDerWaalsContact C-N 3.33Å; K341-A343 PolarHBondContact O-N 2.71Å; K341-R344 WeakPolarHBondContact O-CB 3.37Å; K341-R344 PolarHBondContact O-N 2.98Å; K341-R344 VanDerWaalsContact O-N 3.1Å; K341-D345 VanDerWaalsContact O-CG 3.26Å; K341-D345 PolarHBondContact O-N 2.85Å
342N97.4Very high95.7Very high119 Ų119104 Ų10464%0.63653%0.525SS*.Hα-helixtrans-59-40.8178-169.751.8000113.2S340 D345 T346S340-N342 VanDerWaalsContact C-N 3.31Å; S340-N342 PolarHBondContact O-N 2.71Å; N342-D345 PolarHBondContact O-N 2.88Å; N342-T346 WeakPolarHBondContact O-CB 3.41Å; N342-T346 PolarHBondContact O-N 3.36Å; N342-T346 PolarHBondContact O-OG1 2.82Å
343A95.6Very high95.1Very high28 Ų28112.1 Ų112.123%0.23155%0.553CS.*Hα-helixtrans-64.9-41.217600000111.7L339 S340 K341 T346 I347L339-A343 HydrophobicContact CD2-CB 4.41Å; S340-A343 PolarHBondContact O-N 3.2Å; S340-A343 WeakPolarHBondContact OG-CB 3.4Å; S340-A343 PolarHBondContact OG-N 2.73Å; K341-A343 VanDerWaalsContact C-N 3.33Å; K341-A343 PolarHBondContact O-N 2.71Å; A343-T346 PolarHBondContact O-N 3.29Å; A343-I347 WeakPolarHBondContact O-CB 3.3Å; A343-I347 WeakPolarHBondContact O-CD1 3.29Å; A343-I347 WeakPolarHBondContact O-CG1 3.38Å; A343-I347 PolarHBondContact O-N 3.26Å
344R95.3Very high93.6Very high146 Ų146120.2 Ų120.255%0.55161%0.61SS**Hα-helixtrans-63.4-43.7176-65.9177.1-170.4-167.6-3.1111.8L339 S340 K341 T346 I347 T348L339-R344 HydrophobicContact CB-CG 3.81Å; L339-R344 HydrophobicContact CD1-CG 4.42Å; L339-R344 PolarHBondContact O-NE 3.04Å; S340-R344 WeakPolarHBondContact O-CG 3.08Å; S340-R344 PolarHBondContact O-N 3.07Å; K341-R344 WeakPolarHBondContact O-CB 3.37Å; K341-R344 PolarHBondContact O-N 2.98Å; K341-R344 VanDerWaalsContact O-N 3.1Å; R344-T346 VanDerWaalsContact C-N 3.35Å; R344-I347 PolarHBondContact O-N 3.14Å; R344-T348 WeakPolarHBondContact O-CB 3.39Å; R344-T348 PolarHBondContact O-N 2.61Å; R344-T348 PolarHBondContact O-OG1 2.81Å
345D96.2Very high93.4Very high76 Ų76121.8 Ų121.841%0.40662%0.621SS.*Hα-helixtrans-62.1-45178.4-63.6-22.1000110.3K341 N342 T348 Q349K341-D345 VanDerWaalsContact O-CG 3.26Å; K341-D345 PolarHBondContact O-N 2.85Å; N342-D345 PolarHBondContact O-N 2.88Å; D345-T348 PolarHBondContact O-N 3.23Å; D345-Q349 WeakPolarHBondContact O-CG 3.5Å; D345-Q349 PolarHBondContact O-N 2.79Å; D345-Q349 VanDerWaalsContact O-N 3.16Å
346T95.9Very high93.2Very high66 Ų66120.7 Ų120.741%0.40562%0.621SS.*Hα-helixtrans-61.5-48.1176.5-53.70000111.7N342 A343 R344 T348 Q349 V350N342-T346 WeakPolarHBondContact O-CB 3.41Å; N342-T346 PolarHBondContact O-N 3.36Å; N342-T346 PolarHBondContact O-OG1 2.82Å; A343-T346 PolarHBondContact O-N 3.29Å; R344-T346 VanDerWaalsContact C-N 3.35Å; T346-T348 VanDerWaalsContact C-N 3.29Å; T346-T348 PolarHBondContact O-N 2.86Å; T346-Q349 PolarHBondContact O-N 3.24Å; T346-Q349 VanDerWaalsContact O-N 3.16Å; T346-V350 HydrophobicContact CG2-CG2 4.48Å; T346-V350 WeakPolarHBondContact O-CG2 3.25Å; T346-V350 PolarHBondContact O-N 3.11Å; T346-V350 VanDerWaalsContact O-N 3.11Å
347I94.4Very high93Very high70 Ų70123.7 Ų123.736%0.35963%0.631SS.*Hα-helixtrans-62.2-39.2179.4-70.4166.4000110.8L339 A343 R344 Q349 V350 L351L339-I347 HydrophobicContact CD1-CD1 3.92Å; L339-I347 HydrophobicContact CD2-CD1 4.49Å; A343-I347 WeakPolarHBondContact O-CB 3.3Å; A343-I347 WeakPolarHBondContact O-CD1 3.29Å; A343-I347 WeakPolarHBondContact O-CG1 3.38Å; A343-I347 PolarHBondContact O-N 3.26Å; R344-I347 PolarHBondContact O-N 3.14Å; I347-Q349 PolarHBondContact O-N 2.87Å; I347-V350 PolarHBondContact O-N 2.8Å; I347-L351 HydrophobicContact CG2-CD1 3.49Å; I347-L351 VanDerWaalsContact CG2-CD1 3.49Å; I347-L351 HydrophobicContact CG2-CG 3.92Å; I347-L351 WeakPolarHBondContact O-CB 3.38Å; I347-L351 PolarHBondContact O-N 2.77Å
348T94.3Very high92.8Very high99 Ų99119.7 Ų119.761%0.60762%0.616SS**Hα-helixtrans-62.9-32177.8-570000112.2R344 D345 T346R344-T348 WeakPolarHBondContact O-CB 3.39Å; R344-T348 PolarHBondContact O-N 2.61Å; R344-T348 PolarHBondContact O-OG1 2.81Å; D345-T348 PolarHBondContact O-N 3.23Å; T346-T348 VanDerWaalsContact C-N 3.29Å; T346-T348 PolarHBondContact O-N 2.86Å
349Q94.9Very high92.6Very high165 Ų165113.3 Ų113.377%0.77160%0.602SS**Hα-helixtrans-77.6-34.5176.8-70.6176.1-6.200112.9D345 T346 I347D345-Q349 WeakPolarHBondContact O-CG 3.5Å; D345-Q349 PolarHBondContact O-N 2.79Å; D345-Q349 VanDerWaalsContact O-N 3.16Å; T346-Q349 PolarHBondContact O-N 3.24Å; T346-Q349 VanDerWaalsContact O-N 3.16Å; I347-Q349 PolarHBondContact O-N 2.87Å
350V94.4Very high92.4Very high109 Ų109116.2 Ų116.266%0.66162%0.618SS**Hα-helixtrans-91-38.6-172.3178.80000112.7T346 I347T346-V350 HydrophobicContact CG2-CG2 4.48Å; T346-V350 WeakPolarHBondContact O-CG2 3.25Å; T346-V350 PolarHBondContact O-N 3.11Å; T346-V350 VanDerWaalsContact O-N 3.11Å; I347-V350 PolarHBondContact O-N 2.8Å
351L92.6Very high92.1Very high81 Ų81119.1 Ų119.142%0.42462%0.624SS.*SBendtrans-84.7134.9-178.2-63.8-173.4000111.2L279 I347L279-L351 HydrophobicContact CD1-CD2 4.47Å; I347-L351 HydrophobicContact CG2-CD1 3.49Å; I347-L351 VanDerWaalsContact CG2-CD1 3.49Å; I347-L351 HydrophobicContact CG2-CG 3.92Å; I347-L351 WeakPolarHBondContact O-CB 3.38Å; I347-L351 PolarHBondContact O-N 2.77Å
352P89.5Confident91.7Very high117 Ų117115.6 Ų115.676%0.7662%0.617SS**  trans-66.6148.717828.5-34.1000111.1S354P352-S354 PolarHBondContact O-N 2.91Å
353R85.7Confident91.2Very high241 Ų241115.3 Ų115.391%0.90962%0.615SS**  trans-74.1111.8161.3-75-175175.3-176.7-1.4107.4
354S66.3Low90.8Very high186 Ų186123.3 Ų123.3100%1.30165%0.65SS**  trans-65.50173.1500000112.3P352P352-S354 PolarHBondContact O-N 2.91Å

Retrieved 354 of 354 residues in 90 ms (Link to these results)

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