A0A087XK83_POEFO Loading...

Insulin-like growth factor 2 mRNA-binding protein 3

AlphaFold DB , UniProt , Accession A0A087XK83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 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
1M54.3Low81.4Confident219 Ų21951.5 Ų51.5100%1.07928%0.276SS*.  0110.40-81-172.2-84.600107.2K3M1-K3 PolarHBondContact O-N 3.34Å; M1-K3 VanDerWaalsContact O-N 3.08Å
2N73.4Confident81.1Confident47 Ų4760.5 Ų60.525%0.25132%0.315SS..EExtended strand (participates in β ladder)trans-88.560.9-174.2-55.8-41000109.9C44 D46 E47 A50N2-C44 HydrophobicContact CB-CB 4.25Å; N2-C44 WeakPolarHBondContact O-CB 3.35Å; N2-C44 PolarHBondContact O-N 3.27Å; N2-D46 VanDerWaalsContact ND2-C 3.26Å; N2-D46 WeakPolarHBondContact ND2-CA 3.38Å; N2-E47 PolarHBondContact ND2-N 3.46Å; N2-E47 VanDerWaalsContact ND2-N 3.17Å; N2-A50 HydrophobicContact CB-CB 4.33Å
3K84.8Confident81.1Confident63 Ų6356.8 Ų56.827%0.27430%0.298SS..EExtended strand (participates in β ladder)trans-80.6137.9-179.1-167.8177.2-153.383.90109.6M1 F41 V42 D43 S73M1-K3 PolarHBondContact O-N 3.34Å; M1-K3 VanDerWaalsContact O-N 3.08Å; K3-F41 HydrophobicContact CD-CD1 4.43Å; K3-V42 CarbonylContact C-O 3.37Å; K3-V42 WeakPolarHBondContact CA-O 3.46Å; K3-D43 WeakPolarHBondContact CB-OD1 3.48Å; K3-D43 WeakPolarHBondContact CD-OD1 3.46Å; K3-D43 WeakPolarHBondContact CG-OD1 3.31Å; K3-D43 IonicContact NZ-OD1 3.1Å; K3-D43 PolarHBondContact NZ-OD1 3.42Å; K3-D43 IonicContact NZ-OD2 3.43Å; K3-D43 PolarHBondContact NZ-OD2 2.81Å; K3-S73 WeakPolarHBondContact O-CB 3.31Å; K3-S73 PolarHBondContact O-N 3.05Å
4L86.9Confident81.6Confident0 Ų056.1 Ų56.10%030%0.3CS..EExtended strand (participates in β ladder)trans-107144.2175.1-67.2177.3000110.4F22 F41 V42 C44 A50 A53 I54 V70 E71L4-F22 HydrophobicContact CD1-CE1 4.43Å; L4-F41 VanDerWaalsContact O-CA 3.31Å; L4-F41 WeakPolarHBondContact O-CA 3.43Å; L4-F41 WeakPolarHBondContact O-CD1 3.34Å; L4-V42 HydrophobicContact CB-CG1 3.94Å; L4-V42 HydrophobicContact CD1-CG1 4.26Å; L4-V42 PolarHBondContact N-O 3.48Å; L4-V42 PolarHBondContact O-N 3.18Å; L4-C44 WeakPolarHBondContact CD1-SG 3.4Å; L4-A50 HydrophobicContact CD2-CB 3.86Å; L4-A50 HydrophobicContact CG-CB 4.26Å; L4-A53 HydrophobicContact CD1-CB 3.48Å; L4-A53 VanDerWaalsContact CD1-CB 3.48Å; L4-I54 HydrophobicContact CD2-CD1 3.84Å; L4-I54 HydrophobicContact CD2-CG1 3.93Å; L4-V70 HydrophobicContact CB-CG1 4.45Å; L4-V70 HydrophobicContact CD1-CG1 4.13Å; L4-V70 HydrophobicContact CD2-CG1 4.45Å; L4-E71 CarbonylContact C-O 3.6Å; L4-E71 WeakPolarHBondContact CA-O 3.49Å; L4-E71 WeakPolarHBondContact CD2-O 3.33Å
5Y90.4Very high82Confident75 Ų7557.2 Ų57.229%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-101.6130.2166.5174-104.6000108.5Y39 F41 V70 E71Y5-Y39 HydrophobicContact CD2-CD2 4.26Å; Y5-Y39 VanDerWaalsContact CE2-CB 3.48Å; Y5-Y39 AromaticContact CE2-CD2 3.58Å; Y5-Y39 HydrophobicContact CE2-CD2 3.58Å; Y5-Y39 HydrophobicContact CE2-CE2 4.47Å; Y5-Y39 AromaticContact CE2-CG 3.63Å; Y5-Y39 HydrophobicContact CE2-CG 3.63Å; Y5-Y39 WeakPolarHBondContact OH-CB 3.32Å; Y5-F41 HydrophobicContact CD2-CD1 4.05Å; Y5-F41 AromaticContact CD2-CE1 3.47Å; Y5-F41 HydrophobicContact CD2-CE1 3.47Å; Y5-F41 VanDerWaalsContact CD2-CE1 3.47Å; Y5-F41 AromaticContact CD2-CZ 3.77Å; Y5-F41 HydrophobicContact CD2-CZ 3.77Å; Y5-F41 HydrophobicContact CE2-CE1 4.42Å; Y5-F41 HydrophobicContact CE2-CZ 4.29Å; Y5-F41 HydrophobicContact CG-CE1 4.22Å; Y5-V70 WeakPolarHBondContact O-CA 3.44Å; Y5-E71 PolarHBondContact N-O 3.27Å; Y5-E71 PolarHBondContact O-N 3.37Å
6I89.4Confident82.3Confident0 Ų062.5 Ų62.50%033%0.326CS..EExtended strand (participates in β ladder)trans-115.3100.7177.3-53.8172.5000106.6V9 L18 F22 F33 Y39 A40 V42 L68 E69 V70I6-V9 HydrophobicContact CB-CG2 4.24Å; I6-V9 HydrophobicContact CG2-CG2 3.59Å; I6-V9 WeakPolarHBondContact O-CG2 3.26Å; I6-L18 HydrophobicContact CG2-CD2 4.43Å; I6-F22 HydrophobicContact CD1-CE2 3.73Å; I6-F22 HydrophobicContact CD1-CZ 3.85Å; I6-F33 HydrophobicContact CD1-CD1 4.07Å; I6-F33 HydrophobicContact CD1-CE1 3.86Å; I6-Y39 CarbonylContact O-C 3.09Å; I6-Y39 WeakPolarHBondContact O-CA 3.44Å; I6-Y39 VanDerWaalsContact O-CB 3.28Å; I6-Y39 WeakPolarHBondContact O-CB 3.36Å; I6-A40 HydrophobicContact CB-CB 4.24Å; I6-A40 HydrophobicContact CD1-CB 4.49Å; I6-A40 PolarHBondContact N-O 3.27Å; I6-A40 PolarHBondContact O-N 3.1Å; I6-V42 HydrophobicContact CD1-CG1 4.05Å; I6-L68 HydrophobicContact CG2-CD2 4.2Å; I6-E69 CarbonylContact C-O 3.59Å; I6-E69 WeakPolarHBondContact CA-O 3.17Å; I6-V70 HydrophobicContact CG1-CG1 4.41Å; I6-V70 HydrophobicContact CG1-CG2 4.31Å; I6-V70 HydrophobicContact CG2-CG2 4.22Å
7G85.1Confident82.6Confident1 Ų161.5 Ų61.51%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-84.6167.9176.100000113.6V9 E69G7-V9 PolarHBondContact O-N 3.4Å; G7-E69 PolarHBondContact N-O 2.98Å; G7-E69 PolarHBondContact O-N 3.41Å; G7-E69 VanDerWaalsContact O-N 3.1Å
8N85.1Confident82.9Confident67 Ų6758.1 Ų58.136%0.35830%0.303SS..SBendtrans58.126.5179.2-15930.3000115G38 K66 V67 E69N8-G38 PolarHBondContact N-O 3.03Å; N8-K66 WeakPolarHBondContact O-CB 3.33Å; N8-V67 WeakPolarHBondContact CB-O 3.2Å; N8-V67 PolarHBondContact ND2-O 3.47Å; N8-E69 HydrophobicContact CB-CG 4.44Å
9V86.6Confident83.2Confident0 Ų059.1 Ų59.10%031%0.306CS..  trans-70.4133.9176.4179.30000109.4I6 G7 A13 V35 G38 A40 L68I6-V9 HydrophobicContact CB-CG2 4.24Å; I6-V9 HydrophobicContact CG2-CG2 3.59Å; I6-V9 WeakPolarHBondContact O-CG2 3.26Å; G7-V9 PolarHBondContact O-N 3.4Å; V9-A13 HydrophobicContact CG1-CB 3.47Å; V9-A13 VanDerWaalsContact CG1-CB 3.47Å; V9-V35 HydrophobicContact CG1-CG1 4.44Å; V9-G38 PolarHBondContact N-O 3.43Å; V9-G38 CarbonylContact O-C 3.54Å; V9-G38 VanDerWaalsContact O-CA 3.26Å; V9-G38 WeakPolarHBondContact O-CA 3.28Å; V9-A40 HydrophobicContact CG2-CB 4.31Å; V9-L68 HydrophobicContact CG2-CD2 3.96Å
10S81.5Confident83.5Confident14 Ų1459.9 Ų59.910%0.09832%0.317CS..  trans-60.6148176.9-173.10000111.4E12 A13S10-E12 PolarHBondContact O-N 3.43Å; S10-E12 PolarHBondContact OG-N 2.68Å; S10-A13 VanDerWaalsContact O-CB 3.29Å; S10-A13 WeakPolarHBondContact O-CB 3.41Å; S10-A13 PolarHBondContact O-N 3.4Å; S10-A13 VanDerWaalsContact O-N 3.11Å
11A77.9Confident83.8Confident81 Ų8157.6 Ų57.667%0.66931%0.305SS*.THydrogen-bonded Turntrans-67.2-16.8176.300000112.7
12E77.9Confident85.5Confident159 Ų15947.2 Ų47.274%0.74325%0.254SS*.THydrogen-bonded Turntrans-93.2-5176.8-62.5173.5-174.300112.6S10S10-E12 PolarHBondContact O-N 3.43Å; S10-E12 PolarHBondContact OG-N 2.68Å
13A81.4Confident86.3Confident12 Ų1253.1 Ų53.110%0.09928%0.277CS..  trans-73.6133.3-179.100000111.4V9 S10 L63V9-A13 HydrophobicContact CG1-CB 3.47Å; V9-A13 VanDerWaalsContact CG1-CB 3.47Å; S10-A13 VanDerWaalsContact O-CB 3.29Å; S10-A13 WeakPolarHBondContact O-CB 3.41Å; S10-A13 PolarHBondContact O-N 3.4Å; S10-A13 VanDerWaalsContact O-N 3.11Å; A13-L63 HydrophobicContact CB-CD2 3.69Å; A13-L63 HydrophobicContact CB-CG 4.44Å
14S87.3Confident86.5Confident47 Ų4756.9 Ų56.933%0.32930%0.295SS..  trans-98167.8176.166.50000112E16 D17S14-E16 VanDerWaalsContact C-N 3.27Å; S14-E16 PolarHBondContact O-N 3.4Å; S14-D17 PolarHBondContact N-OD2 2.93Å; S14-D17 PolarHBondContact O-N 3.12Å; S14-D17 PolarHBondContact OG-N 3.32Å; S14-D17 PolarHBondContact OG-OD2 3Å
15E87.5Confident86.5Confident73 Ų7362.5 Ų62.534%0.34132%0.317SS..Hα-helixtrans-59.1-39.9171.1166.4161.1-147.300111.5D17 L18 E19 P32 F33 V35E15-D17 VanDerWaalsContact C-N 3.3Å; E15-D17 PolarHBondContact O-N 3.12Å; E15-L18 PolarHBondContact O-N 3.41Å; E15-E19 PolarHBondContact O-N 2.96Å; E15-P32 VanDerWaalsContact OE1-CA 3.29Å; E15-P32 WeakPolarHBondContact OE1-CA 3.44Å; E15-P32 WeakPolarHBondContact OE1-CB 3.35Å; E15-F33 HydrophobicContact CG-CB 4.06Å; E15-F33 PolarHBondContact OE1-N 3.47Å; E15-V35 HydrophobicContact CB-CG2 4.17Å
16E86.8Confident86.4Confident142 Ų14267.3 Ų67.366%0.66434%0.339SS*.Hα-helixtrans-63.3-33.5180-60-179.7-176.900112.9S14 S20S14-E16 VanDerWaalsContact C-N 3.27Å; S14-E16 PolarHBondContact O-N 3.4Å; E16-S20 WeakPolarHBondContact O-CB 3.32Å; E16-S20 PolarHBondContact O-N 2.89Å; E16-S20 PolarHBondContact O-OG 3.46Å
17D88.2Confident86.4Confident46 Ų4667.6 Ų67.625%0.24634%0.341CS..Hα-helixtrans-65.2-43.1176.4-66.7-39.4000111.3S14 E15 S20 I21 L63 H64S14-D17 PolarHBondContact N-OD2 2.93Å; S14-D17 PolarHBondContact O-N 3.12Å; S14-D17 PolarHBondContact OG-N 3.32Å; S14-D17 PolarHBondContact OG-OD2 3Å; E15-D17 VanDerWaalsContact C-N 3.3Å; E15-D17 PolarHBondContact O-N 3.12Å; D17-S20 PolarHBondContact O-N 3.44Å; D17-I21 WeakPolarHBondContact O-CG1 3.4Å; D17-I21 PolarHBondContact O-N 3.26Å; D17-I21 VanDerWaalsContact O-N 3.12Å; D17-L63 HydrophobicContact CB-CD1 3.9Å; D17-L63 HydrophobicContact CB-CD2 4.16Å; D17-H64 IonicContact OD2-NE2 3.56Å; D17-H64 PolarHBondContact OD2-NE2 2.93Å
18L87.4Confident86.4Confident0 Ų070.6 Ų70.60%036%0.36CS..Hα-helixtrans-73.2-37.4179.5-69172.1000111.7I6 E15 S20 I21 F22 F33 V35 A40 L63 L68I6-L18 HydrophobicContact CG2-CD2 4.43Å; E15-L18 PolarHBondContact O-N 3.41Å; L18-S20 VanDerWaalsContact C-N 3.3Å; L18-S20 PolarHBondContact O-N 3.33Å; L18-I21 PolarHBondContact O-N 2.97Å; L18-F22 WeakPolarHBondContact O-CD2 3.14Å; L18-F22 PolarHBondContact O-N 3.44Å; L18-F33 HydrophobicContact CB-CD1 3.68Å; L18-F33 HydrophobicContact CB-CE1 3.88Å; L18-F33 HydrophobicContact CB-CG 4.05Å; L18-F33 HydrophobicContact CB-CZ 4.41Å; L18-F33 HydrophobicContact CD1-CD1 4.02Å; L18-F33 HydrophobicContact CG-CD1 4.47Å; L18-V35 HydrophobicContact CD1-CG2 3.76Å; L18-A40 HydrophobicContact CD1-CB 3.44Å; L18-A40 VanDerWaalsContact CD1-CB 3.44Å; L18-L63 HydrophobicContact CD2-CD2 3.86Å; L18-L63 HydrophobicContact CG-CD2 4.34Å; L18-L68 HydrophobicContact CD2-CD1 4.2Å
19E89.4Confident86.5Confident77 Ų7770.4 Ų70.436%0.3636%0.357SS..Hα-helixtrans-59.5-43171.3-76.1-171.4173.100111.6E15 I21 F22 K23 F33E15-E19 PolarHBondContact O-N 2.96Å; E19-I21 PolarHBondContact O-N 3.14Å; E19-F22 PolarHBondContact O-N 3.44Å; E19-K23 VanDerWaalsContact O-CB 3.25Å; E19-K23 WeakPolarHBondContact O-CB 3.26Å; E19-K23 PolarHBondContact O-N 2.86Å; E19-F33 HydrophobicContact CB-CE2 4.37Å; E19-F33 HydrophobicContact CG-CD2 3.58Å; E19-F33 HydrophobicContact CG-CE2 3.61Å
20S88.7Confident86.2Confident75 Ų7572.8 Ų72.852%0.52437%0.373SS..Hα-helixtrans-62.5-41.6178.2-650000111.9E16 D17 L18 K23 Q24E16-S20 WeakPolarHBondContact O-CB 3.32Å; E16-S20 PolarHBondContact O-N 2.89Å; E16-S20 PolarHBondContact O-OG 3.46Å; D17-S20 PolarHBondContact O-N 3.44Å; L18-S20 VanDerWaalsContact C-N 3.3Å; L18-S20 PolarHBondContact O-N 3.33Å; S20-K23 PolarHBondContact O-N 3.03Å; S20-Q24 VanDerWaalsContact O-CB 3.28Å; S20-Q24 WeakPolarHBondContact O-CB 3.2Å; S20-Q24 PolarHBondContact O-N 2.97Å
21I89Confident86Confident12 Ų1274.3 Ų74.36%0.06239%0.391CS..Hα-helixtrans-63.8-49.3175-71.9172.5000111D17 L18 E19 K23 Q24 W25 L57 V61 L63 L68D17-I21 WeakPolarHBondContact O-CG1 3.4Å; D17-I21 PolarHBondContact O-N 3.26Å; D17-I21 VanDerWaalsContact O-N 3.12Å; L18-I21 PolarHBondContact O-N 2.97Å; E19-I21 PolarHBondContact O-N 3.14Å; I21-K23 PolarHBondContact O-N 2.99Å; I21-Q24 PolarHBondContact O-N 3.07Å; I21-W25 VanDerWaalsContact O-CD1 3.25Å; I21-W25 PolarHBondContact O-N 2.74Å; I21-W25 VanDerWaalsContact O-N 3.08Å; I21-L57 HydrophobicContact CG2-CD1 4.37Å; I21-L57 HydrophobicContact CG2-CD2 3.72Å; I21-V61 HydrophobicContact CD1-CG1 4.14Å; I21-V61 HydrophobicContact CG1-CG1 4.46Å; I21-V61 HydrophobicContact CG2-CG1 3.96Å; I21-L63 HydrophobicContact CD1-CB 3.94Å; I21-L63 HydrophobicContact CD1-CD1 3.85Å; I21-L63 HydrophobicContact CD1-CD2 4.13Å; I21-L63 HydrophobicContact CD1-CG 4.17Å; I21-L68 HydrophobicContact CD1-CD1 3.91Å
22F90.6Very high86.3Confident1 Ų175 Ų750%0.00439%0.389CS..Hα-helixtrans-63.1-34.6179.9-88-117.6000111.8L4 I6 L18 E19 K26 I27 H29 F33 V42 A53 L57L4-F22 HydrophobicContact CD1-CE1 4.43Å; I6-F22 HydrophobicContact CD1-CE2 3.73Å; I6-F22 HydrophobicContact CD1-CZ 3.85Å; L18-F22 WeakPolarHBondContact O-CD2 3.14Å; L18-F22 PolarHBondContact O-N 3.44Å; E19-F22 PolarHBondContact O-N 3.44Å; F22-K26 PolarHBondContact O-N 3.4Å; F22-I27 HydrophobicContact CD1-CB 3.89Å; F22-I27 HydrophobicContact CD1-CG2 3.54Å; F22-I27 HydrophobicContact CE1-CB 4.49Å; F22-I27 HydrophobicContact CE1-CG2 3.75Å; F22-I27 HydrophobicContact CG-CB 4.44Å; F22-I27 PolarHBondContact O-N 3.12Å; F22-H29 HydrophobicContact CD1-CB 4.23Å; F22-F33 HydrophobicContact CB-CZ 4.02Å; F22-F33 HydrophobicContact CD1-CE1 4.4Å; F22-F33 AromaticContact CD1-CZ 3.89Å; F22-F33 HydrophobicContact CD1-CZ 3.89Å; F22-F33 AromaticContact CD2-CE1 3.73Å; F22-F33 HydrophobicContact CD2-CE1 3.73Å; F22-F33 AromaticContact CD2-CZ 3.61Å; F22-F33 HydrophobicContact CD2-CZ 3.61Å; F22-F33 HydrophobicContact CE1-CE1 4.33Å; F22-F33 HydrophobicContact CE1-CZ 4.24Å; F22-F33 AromaticContact CE2-CE1 3.66Å; F22-F33 HydrophobicContact CE2-CE1 3.66Å; F22-F33 AromaticContact CE2-CZ 3.99Å; F22-F33 HydrophobicContact CE2-CZ 3.99Å; F22-F33 HydrophobicContact CG-CE1 4.12Å; F22-F33 AromaticContact CG-CZ 3.56Å; F22-F33 HydrophobicContact CG-CZ 3.56Å; F22-F33 AromaticContact CZ-CE1 3.98Å; F22-F33 HydrophobicContact CZ-CE1 3.98Å; F22-F33 HydrophobicContact CZ-CZ 4.29Å; F22-V42 HydrophobicContact CE1-CG1 3.91Å; F22-V42 HydrophobicContact CZ-CG1 3.84Å; F22-A53 HydrophobicContact CE1-CB 4.24Å; F22-A53 HydrophobicContact CZ-CB 4.49Å; F22-L57 HydrophobicContact CD2-CD1 3.77Å; F22-L57 HydrophobicContact CE1-CD1 4.28Å; F22-L57 HydrophobicContact CE2-CD1 3.31Å; F22-L57 HydrophobicContact CG-CD1 4.41Å; F22-L57 HydrophobicContact CZ-CD1 3.6Å
23K89.5Confident86.8Confident171 Ų17167.7 Ų67.774%0.74336%0.355SS*.Hα-helixtrans-69.8-43.2174.3-169.3175.7-177.4178.30112.4E19 S20 I21 W25 K26E19-K23 VanDerWaalsContact O-CB 3.25Å; E19-K23 WeakPolarHBondContact O-CB 3.26Å; E19-K23 PolarHBondContact O-N 2.86Å; S20-K23 PolarHBondContact O-N 3.03Å; I21-K23 PolarHBondContact O-N 2.99Å; K23-W25 VanDerWaalsContact C-N 3.3Å; K23-W25 PolarHBondContact O-N 3.21Å; K23-K26 PolarHBondContact O-N 3.26Å; K23-K26 VanDerWaalsContact O-N 3.13Å
24Q89.9Confident87Confident141 Ų14171.5 Ų71.566%0.65937%0.373SS*.Hα-helixtrans-58.4-42.9177.8-177.7179.69.400111.6S20 I21 K26S20-Q24 VanDerWaalsContact O-CB 3.28Å; S20-Q24 WeakPolarHBondContact O-CB 3.2Å; S20-Q24 PolarHBondContact O-N 2.97Å; I21-Q24 PolarHBondContact O-N 3.07Å; Q24-K26 VanDerWaalsContact C-N 3.31Å; Q24-K26 PolarHBondContact O-N 3.26Å
25W87.7Confident87Confident119 Ų11971.3 Ų71.345%0.45137%0.369SS..THydrogen-bonded Turntrans-89.27.4-179.9-6797.8000114I21 K23 I27 V56 L57 V61I21-W25 VanDerWaalsContact O-CD1 3.25Å; I21-W25 PolarHBondContact O-N 2.74Å; I21-W25 VanDerWaalsContact O-N 3.08Å; K23-W25 VanDerWaalsContact C-N 3.3Å; K23-W25 PolarHBondContact O-N 3.21Å; W25-I27 VanDerWaalsContact C-N 3.27Å; W25-I27 HydrophobicContact CB-CD1 3.79Å; W25-I27 HydrophobicContact CB-CG1 4.17Å; W25-I27 PolarHBondContact O-N 3.36Å; W25-V56 HydrophobicContact CB-CG1 4.09Å; W25-V56 HydrophobicContact CD2-CG1 3.63Å; W25-V56 HydrophobicContact CE3-CG1 3.27Å; W25-V56 HydrophobicContact CG-CG1 4Å; W25-V56 HydrophobicContact CZ3-CG1 3.89Å; W25-L57 HydrophobicContact CB-CD2 4.16Å; W25-L57 HydrophobicContact CG-CD2 3.82Å; W25-V61 HydrophobicContact CZ2-CG2 3.87Å
26K88.1Confident86.8Confident176 Ų17672.5 Ų72.577%0.76537%0.373SS*.THydrogen-bonded Turntrans53.541.7179-57.2-178.8180179.80112.9F22 K23 Q24F22-K26 PolarHBondContact O-N 3.4Å; K23-K26 PolarHBondContact O-N 3.26Å; K23-K26 VanDerWaalsContact O-N 3.13Å; Q24-K26 VanDerWaalsContact C-N 3.31Å; Q24-K26 PolarHBondContact O-N 3.26Å
27I87.8Confident86.3Confident6 Ų671.6 Ų71.63%0.03138%0.378CS..  trans-96.1116177.7-63.5160.3000108.3F22 W25 H29 A53 L57F22-I27 HydrophobicContact CD1-CB 3.89Å; F22-I27 HydrophobicContact CD1-CG2 3.54Å; F22-I27 HydrophobicContact CE1-CB 4.49Å; F22-I27 HydrophobicContact CE1-CG2 3.75Å; F22-I27 HydrophobicContact CG-CB 4.44Å; F22-I27 PolarHBondContact O-N 3.12Å; W25-I27 VanDerWaalsContact C-N 3.27Å; W25-I27 HydrophobicContact CB-CD1 3.79Å; W25-I27 HydrophobicContact CB-CG1 4.17Å; W25-I27 PolarHBondContact O-N 3.36Å; I27-H29 PolarHBondContact O-N 3.37Å; I27-A53 HydrophobicContact CD1-CB 4.16Å; I27-A53 HydrophobicContact CG2-CB 3.69Å; I27-L57 HydrophobicContact CD1-CD1 3.53Å; I27-L57 HydrophobicContact CD1-CD2 3.86Å; I27-L57 HydrophobicContact CD1-CG 3.55Å
28P86.3Confident85.8Confident63 Ų6370.9 Ų70.941%0.40938%0.381SS..  trans-73132.2177.330-31.2000109.9P45 A49P28-P45 HydrophobicContact CB-CG 4.04Å; P28-P45 HydrophobicContact CG-CG 4.26Å; P28-P45 VanDerWaalsContact O-CD 3.31Å; P28-P45 WeakPolarHBondContact O-CD 3.44Å; P28-A49 HydrophobicContact CG-CB 3.7Å
29H87.2Confident85.8Confident64 Ų6474.2 Ų74.230%0.29640%0.395SS..  trans-124.6157.4173.259.5-83.2000109.4F22 I27 F33 V42F22-H29 HydrophobicContact CD1-CB 4.23Å; I27-H29 PolarHBondContact O-N 3.37Å; H29-F33 AromaticContact CD2-CE2 3.68Å; H29-F33 AromaticContact CG-CE2 3.98Å; H29-F33 AromaticContact NE2-CE2 3.78Å; H29-V42 HydrophobicContact CB-CG2 3.63Å
30S79.4Confident85.8Confident50 Ų5070.6 Ų70.635%0.3538%0.377SS..  trans-125.3105.7-178.257.90000108.8D43 C44S30-D43 PolarHBondContact N-O 3.25Å; S30-D43 VanDerWaalsContact O-CB 3.28Å; S30-D43 WeakPolarHBondContact O-CB 3.48Å; S30-D43 VanDerWaalsContact O-O 3.13Å; S30-D43 VanDerWaalsContact OG-C 3.28Å; S30-D43 PolarHBondContact OG-O 3.38Å; S30-D43 VanDerWaalsContact OG-O 3.06Å; S30-C44 VanDerWaalsContact OG-C 3.24Å
31G78.4Confident86Confident45 Ų4569.1 Ų69.146%0.46436%0.362SS..SBendtrans95170.3179.600000114.5
32P83.4Confident86Confident97 Ų9768.5 Ų68.563%0.6336%0.359SS*.  trans-70.8154.9-171.928.2-34.8000113E15 L34E15-P32 VanDerWaalsContact OE1-CA 3.29Å; E15-P32 WeakPolarHBondContact OE1-CA 3.44Å; E15-P32 WeakPolarHBondContact OE1-CB 3.35Å; P32-L34 PolarHBondContact O-N 3.16Å
33F88Confident86Confident5 Ų570.7 Ų70.72%0.02237%0.37CS..  trans-80.6116.7174.2-72.4-102.6000110I6 E15 L18 E19 F22 H29 V35 F41 V42I6-F33 HydrophobicContact CD1-CD1 4.07Å; I6-F33 HydrophobicContact CD1-CE1 3.86Å; E15-F33 HydrophobicContact CG-CB 4.06Å; E15-F33 PolarHBondContact OE1-N 3.47Å; L18-F33 HydrophobicContact CB-CD1 3.68Å; L18-F33 HydrophobicContact CB-CE1 3.88Å; L18-F33 HydrophobicContact CB-CG 4.05Å; L18-F33 HydrophobicContact CB-CZ 4.41Å; L18-F33 HydrophobicContact CD1-CD1 4.02Å; L18-F33 HydrophobicContact CG-CD1 4.47Å; E19-F33 HydrophobicContact CB-CE2 4.37Å; E19-F33 HydrophobicContact CG-CD2 3.58Å; E19-F33 HydrophobicContact CG-CE2 3.61Å; F22-F33 HydrophobicContact CB-CZ 4.02Å; F22-F33 HydrophobicContact CD1-CE1 4.4Å; F22-F33 AromaticContact CD1-CZ 3.89Å; F22-F33 HydrophobicContact CD1-CZ 3.89Å; F22-F33 AromaticContact CD2-CE1 3.73Å; F22-F33 HydrophobicContact CD2-CE1 3.73Å; F22-F33 AromaticContact CD2-CZ 3.61Å; F22-F33 HydrophobicContact CD2-CZ 3.61Å; F22-F33 HydrophobicContact CE1-CE1 4.33Å; F22-F33 HydrophobicContact CE1-CZ 4.24Å; F22-F33 AromaticContact CE2-CE1 3.66Å; F22-F33 HydrophobicContact CE2-CE1 3.66Å; F22-F33 AromaticContact CE2-CZ 3.99Å; F22-F33 HydrophobicContact CE2-CZ 3.99Å; F22-F33 HydrophobicContact CG-CE1 4.12Å; F22-F33 AromaticContact CG-CZ 3.56Å; F22-F33 HydrophobicContact CG-CZ 3.56Å; F22-F33 AromaticContact CZ-CE1 3.98Å; F22-F33 HydrophobicContact CZ-CE1 3.98Å; F22-F33 HydrophobicContact CZ-CZ 4.29Å; H29-F33 AromaticContact CD2-CE2 3.68Å; H29-F33 AromaticContact CG-CE2 3.98Å; H29-F33 AromaticContact NE2-CE2 3.78Å; F33-V35 HydrophobicContact CB-CG2 4.15Å; F33-V35 PolarHBondContact O-N 3.16Å; F33-F41 WeakPolarHBondContact CA-O 3.38Å; F33-V42 HydrophobicContact CD1-CB 3.63Å; F33-V42 HydrophobicContact CD1-CG1 4.26Å; F33-V42 HydrophobicContact CD1-CG2 3.95Å; F33-V42 HydrophobicContact CD2-CG2 4.25Å; F33-V42 HydrophobicContact CE1-CB 3.54Å; F33-V42 HydrophobicContact CE1-CG1 3.78Å; F33-V42 HydrophobicContact CE1-CG2 3.65Å; F33-V42 HydrophobicContact CE2-CG2 3.96Å; F33-V42 HydrophobicContact CG-CB 4.27Å; F33-V42 HydrophobicContact CG-CG2 4.23Å; F33-V42 HydrophobicContact CZ-CB 4.1Å; F33-V42 HydrophobicContact CZ-CG1 4.4Å; F33-V42 HydrophobicContact CZ-CG2 3.66Å
34L86.7Confident85.8Confident91 Ų9162.9 Ų62.948%0.47634%0.337SS..EExtended strand (participates in β ladder)trans-81.986173.5-174.969.1000109.9P32 A40 F41P32-L34 PolarHBondContact O-N 3.16Å; L34-A40 CarbonylContact O-C 3.57Å; L34-A40 VanDerWaalsContact O-CA 3.26Å; L34-A40 WeakPolarHBondContact O-CA 3.18Å; L34-F41 HydrophobicContact CB-CB 4.32Å; L34-F41 HydrophobicContact CD2-CD2 4.22Å; L34-F41 PolarHBondContact N-O 3.14Å; L34-F41 PolarHBondContact O-N 2.95Å
35V86.7Confident85.5Confident43 Ų4358.9 Ų58.926%0.26132%0.323SS..EExtended strand (participates in β ladder)trans-80133.8178.9-168.50000111.1V9 E15 L18 F33 A40V9-V35 HydrophobicContact CG1-CG1 4.44Å; E15-V35 HydrophobicContact CB-CG2 4.17Å; L18-V35 HydrophobicContact CD1-CG2 3.76Å; F33-V35 HydrophobicContact CB-CG2 4.15Å; F33-V35 PolarHBondContact O-N 3.16Å; V35-A40 HydrophobicContact CB-CB 4.42Å; V35-A40 HydrophobicContact CG1-CB 4.49Å; V35-A40 HydrophobicContact CG2-CB 4.14Å
36K83.1Confident85.4Confident98 Ų9858.1 Ų58.143%0.42633%0.328SS..EExtended strand (participates in β ladder)trans-133.1167.6173.9-69.3-170.1174.9-174.80109.6G38 Y39K36-G38 PolarHBondContact O-N 3.25Å; K36-Y39 CarbonylContact C-O 3.59Å; K36-Y39 WeakPolarHBondContact CA-O 3.47Å; K36-Y39 HydrophobicContact CB-CD1 4.45Å; K36-Y39 HydrophobicContact CB-CD2 4.2Å; K36-Y39 HydrophobicContact CB-CE1 4.07Å; K36-Y39 HydrophobicContact CB-CE2 3.78Å; K36-Y39 HydrophobicContact CD-CE2 3.67Å; K36-Y39 WeakPolarHBondContact CD-OH 3.2Å; K36-Y39 HydrophobicContact CG-CE2 4.16Å; K36-Y39 PolarHBondContact N-O 3.09Å; K36-Y39 PolarHBondContact O-N 3.06Å; K36-Y39 VanDerWaalsContact O-N 3.16Å
37T77.5Confident84.9Confident123 Ų12355.2 Ų55.276%0.75532%0.317SS*.THydrogen-bonded Turntrans-60.5109.3177.742.60000110.8
38G76.9Confident84.6Confident31 Ų3163.2 Ų63.232%0.3235%0.352SS..THydrogen-bonded Turntrans91.2-6.9177.900000116N8 V9 K36N8-G38 PolarHBondContact N-O 3.03Å; V9-G38 PolarHBondContact N-O 3.43Å; V9-G38 CarbonylContact O-C 3.54Å; V9-G38 VanDerWaalsContact O-CA 3.26Å; V9-G38 WeakPolarHBondContact O-CA 3.28Å; K36-G38 PolarHBondContact O-N 3.25Å
39Y88Confident84.5Confident71 Ų7160.6 Ų60.628%0.27834%0.335SS..EExtended strand (participates in β ladder)trans-164160.7-179.563.6-86.6000113.4Y5 I6 K36 F41Y5-Y39 HydrophobicContact CD2-CD2 4.26Å; Y5-Y39 VanDerWaalsContact CE2-CB 3.48Å; Y5-Y39 AromaticContact CE2-CD2 3.58Å; Y5-Y39 HydrophobicContact CE2-CD2 3.58Å; Y5-Y39 HydrophobicContact CE2-CE2 4.47Å; Y5-Y39 AromaticContact CE2-CG 3.63Å; Y5-Y39 HydrophobicContact CE2-CG 3.63Å; Y5-Y39 WeakPolarHBondContact OH-CB 3.32Å; I6-Y39 CarbonylContact O-C 3.09Å; I6-Y39 WeakPolarHBondContact O-CA 3.44Å; I6-Y39 VanDerWaalsContact O-CB 3.28Å; I6-Y39 WeakPolarHBondContact O-CB 3.36Å; K36-Y39 CarbonylContact C-O 3.59Å; K36-Y39 WeakPolarHBondContact CA-O 3.47Å; K36-Y39 HydrophobicContact CB-CD1 4.45Å; K36-Y39 HydrophobicContact CB-CD2 4.2Å; K36-Y39 HydrophobicContact CB-CE1 4.07Å; K36-Y39 HydrophobicContact CB-CE2 3.78Å; K36-Y39 HydrophobicContact CD-CE2 3.67Å; K36-Y39 WeakPolarHBondContact CD-OH 3.2Å; K36-Y39 HydrophobicContact CG-CE2 4.16Å; K36-Y39 PolarHBondContact N-O 3.09Å; K36-Y39 PolarHBondContact O-N 3.06Å; K36-Y39 VanDerWaalsContact O-N 3.16Å; Y39-F41 HydrophobicContact CD2-CD2 4.29Å; Y39-F41 AromaticContact CD2-CE2 3.85Å; Y39-F41 HydrophobicContact CD2-CE2 3.85Å; Y39-F41 HydrophobicContact CD2-CZ 4.31Å; Y39-F41 HydrophobicContact CE2-CD2 4.21Å; Y39-F41 AromaticContact CE2-CE2 3.51Å; Y39-F41 HydrophobicContact CE2-CE2 3.51Å; Y39-F41 HydrophobicContact CE2-CZ 4.14Å
40A89.9Confident84.4Confident0 Ų057.5 Ų57.50%032%0.321CS..EExtended strand (participates in β ladder)trans-133.1164.4174.300000112.1I6 V9 L18 L34 V35I6-A40 HydrophobicContact CB-CB 4.24Å; I6-A40 HydrophobicContact CD1-CB 4.49Å; I6-A40 PolarHBondContact N-O 3.27Å; I6-A40 PolarHBondContact O-N 3.1Å; V9-A40 HydrophobicContact CG2-CB 4.31Å; L18-A40 HydrophobicContact CD1-CB 3.44Å; L18-A40 VanDerWaalsContact CD1-CB 3.44Å; L34-A40 CarbonylContact O-C 3.57Å; L34-A40 VanDerWaalsContact O-CA 3.26Å; L34-A40 WeakPolarHBondContact O-CA 3.18Å; V35-A40 HydrophobicContact CB-CB 4.42Å; V35-A40 HydrophobicContact CG1-CB 4.49Å; V35-A40 HydrophobicContact CG2-CB 4.14Å
41F91.1Very high84.6Confident44 Ų4459.4 Ų59.419%0.19333%0.326CS..EExtended strand (participates in β ladder)trans-127.7146.4168.6-62.4-85.4000111.4K3 L4 Y5 F33 L34 Y39K3-F41 HydrophobicContact CD-CD1 4.43Å; L4-F41 VanDerWaalsContact O-CA 3.31Å; L4-F41 WeakPolarHBondContact O-CA 3.43Å; L4-F41 WeakPolarHBondContact O-CD1 3.34Å; Y5-F41 HydrophobicContact CD2-CD1 4.05Å; Y5-F41 AromaticContact CD2-CE1 3.47Å; Y5-F41 HydrophobicContact CD2-CE1 3.47Å; Y5-F41 VanDerWaalsContact CD2-CE1 3.47Å; Y5-F41 AromaticContact CD2-CZ 3.77Å; Y5-F41 HydrophobicContact CD2-CZ 3.77Å; Y5-F41 HydrophobicContact CE2-CE1 4.42Å; Y5-F41 HydrophobicContact CE2-CZ 4.29Å; Y5-F41 HydrophobicContact CG-CE1 4.22Å; F33-F41 WeakPolarHBondContact CA-O 3.38Å; L34-F41 HydrophobicContact CB-CB 4.32Å; L34-F41 HydrophobicContact CD2-CD2 4.22Å; L34-F41 PolarHBondContact N-O 3.14Å; L34-F41 PolarHBondContact O-N 2.95Å; Y39-F41 HydrophobicContact CD2-CD2 4.29Å; Y39-F41 AromaticContact CD2-CE2 3.85Å; Y39-F41 HydrophobicContact CD2-CE2 3.85Å; Y39-F41 HydrophobicContact CD2-CZ 4.31Å; Y39-F41 HydrophobicContact CE2-CD2 4.21Å; Y39-F41 AromaticContact CE2-CE2 3.51Å; Y39-F41 HydrophobicContact CE2-CE2 3.51Å; Y39-F41 HydrophobicContact CE2-CZ 4.14Å
42V90.8Very high84.9Confident0 Ų064.2 Ų64.20%033%0.33CS..EExtended strand (participates in β ladder)trans-141.8143.7173.665.30000109.8K3 L4 I6 F22 H29 F33K3-V42 CarbonylContact C-O 3.37Å; K3-V42 WeakPolarHBondContact CA-O 3.46Å; L4-V42 HydrophobicContact CB-CG1 3.94Å; L4-V42 HydrophobicContact CD1-CG1 4.26Å; L4-V42 PolarHBondContact N-O 3.48Å; L4-V42 PolarHBondContact O-N 3.18Å; I6-V42 HydrophobicContact CD1-CG1 4.05Å; F22-V42 HydrophobicContact CE1-CG1 3.91Å; F22-V42 HydrophobicContact CZ-CG1 3.84Å; H29-V42 HydrophobicContact CB-CG2 3.63Å; F33-V42 HydrophobicContact CD1-CB 3.63Å; F33-V42 HydrophobicContact CD1-CG1 4.26Å; F33-V42 HydrophobicContact CD1-CG2 3.95Å; F33-V42 HydrophobicContact CD2-CG2 4.25Å; F33-V42 HydrophobicContact CE1-CB 3.54Å; F33-V42 HydrophobicContact CE1-CG1 3.78Å; F33-V42 HydrophobicContact CE1-CG2 3.65Å; F33-V42 HydrophobicContact CE2-CG2 3.96Å; F33-V42 HydrophobicContact CG-CB 4.27Å; F33-V42 HydrophobicContact CG-CG2 4.23Å; F33-V42 HydrophobicContact CZ-CB 4.1Å; F33-V42 HydrophobicContact CZ-CG1 4.4Å; F33-V42 HydrophobicContact CZ-CG2 3.66Å
43D88.8Confident85.1Confident47 Ų4759.6 Ų59.625%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-91.1136.7172.8-63.3-62.4000109.2K3 S30K3-D43 WeakPolarHBondContact CB-OD1 3.48Å; K3-D43 WeakPolarHBondContact CD-OD1 3.46Å; K3-D43 WeakPolarHBondContact CG-OD1 3.31Å; K3-D43 IonicContact NZ-OD1 3.1Å; K3-D43 PolarHBondContact NZ-OD1 3.42Å; K3-D43 IonicContact NZ-OD2 3.43Å; K3-D43 PolarHBondContact NZ-OD2 2.81Å; S30-D43 PolarHBondContact N-O 3.25Å; S30-D43 VanDerWaalsContact O-CB 3.28Å; S30-D43 WeakPolarHBondContact O-CB 3.48Å; S30-D43 VanDerWaalsContact O-O 3.13Å; S30-D43 VanDerWaalsContact OG-C 3.28Å; S30-D43 PolarHBondContact OG-O 3.38Å; S30-D43 VanDerWaalsContact OG-O 3.06Å
44C85.4Confident85Confident6 Ų661.1 Ų61.14%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-104.6148174.3-74.10000111N2 L4 S30 D46 A49 A50N2-C44 HydrophobicContact CB-CB 4.25Å; N2-C44 WeakPolarHBondContact O-CB 3.35Å; N2-C44 PolarHBondContact O-N 3.27Å; L4-C44 WeakPolarHBondContact CD1-SG 3.4Å; S30-C44 VanDerWaalsContact OG-C 3.24Å; C44-D46 PolarHBondContact O-N 3.02Å; C44-A49 HydrophobicContact CB-CB 4.32Å; C44-A50 HydrophobicContact CB-CB 4.12Å
45P84.8Confident85Confident57 Ų5762 Ų6237%0.3731%0.313SS..SBendtrans-64-42.8-179.824.1-32.1000111.8P28 A49P28-P45 HydrophobicContact CB-CG 4.04Å; P28-P45 HydrophobicContact CG-CG 4.26Å; P28-P45 VanDerWaalsContact O-CD 3.31Å; P28-P45 WeakPolarHBondContact O-CD 3.44Å; P45-A49 HydrophobicContact CG-CB 4.3Å
46D84.3Confident84.9Confident104 Ų10461.9 Ų61.956%0.55631%0.312SS*.SBendtrans-135.9157.8-175.9-60.3-52.4000112.1N2 C44 K48 A49 A50N2-D46 VanDerWaalsContact ND2-C 3.26Å; N2-D46 WeakPolarHBondContact ND2-CA 3.38Å; C44-D46 PolarHBondContact O-N 3.02Å; D46-K48 PolarHBondContact O-N 3.22Å; D46-A49 WeakPolarHBondContact O-CB 3.43Å; D46-A49 PolarHBondContact O-N 3Å; D46-A50 PolarHBondContact O-N 2.96Å; D46-A50 VanDerWaalsContact O-N 3.15Å
47E78.5Confident85.1Confident115 Ų11557.2 Ų57.254%0.53729%0.292SS..Hα-helixtrans-61.9-33.1178.3-168-179179.900112N2 A49 A50 M51N2-E47 PolarHBondContact ND2-N 3.46Å; N2-E47 VanDerWaalsContact ND2-N 3.17Å; E47-A49 VanDerWaalsContact C-N 3.3Å; E47-A49 PolarHBondContact O-N 2.84Å; E47-A50 PolarHBondContact O-N 3.09Å; E47-M51 HydrophobicContact CG-CE 3.86Å; E47-M51 PolarHBondContact O-N 3.32Å
48K81.8Confident85.7Confident174 Ų17453.1 Ų53.176%0.75727%0.268SS*.Hα-helixtrans-64-34.4174.6-66.4-179-179176.20112.6D46 R52D46-K48 PolarHBondContact O-N 3.22Å; K48-R52 WeakPolarHBondContact O-CB 3.5Å; K48-R52 PolarHBondContact O-N 2.94Å
49A84.8Confident85.8Confident7 Ų754.2 Ų54.26%0.05828%0.28CS..Hα-helixtrans-72.2-39.6175.600000110.9P28 C44 P45 D46 E47 R52 A53P28-A49 HydrophobicContact CG-CB 3.7Å; C44-A49 HydrophobicContact CB-CB 4.32Å; P45-A49 HydrophobicContact CG-CB 4.3Å; D46-A49 WeakPolarHBondContact O-CB 3.43Å; D46-A49 PolarHBondContact O-N 3Å; E47-A49 VanDerWaalsContact C-N 3.3Å; E47-A49 PolarHBondContact O-N 2.84Å; A49-R52 PolarHBondContact O-N 3.28Å; A49-A53 WeakPolarHBondContact O-CB 3.43Å; A49-A53 PolarHBondContact O-N 3.42Å
50A84.4Confident85.6Confident0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-64.2-47.6176.800000112.5N2 L4 C44 D46 E47 R52 A53 I54N2-A50 HydrophobicContact CB-CB 4.33Å; L4-A50 HydrophobicContact CD2-CB 3.86Å; L4-A50 HydrophobicContact CG-CB 4.26Å; C44-A50 HydrophobicContact CB-CB 4.12Å; D46-A50 PolarHBondContact O-N 2.96Å; D46-A50 VanDerWaalsContact O-N 3.15Å; E47-A50 PolarHBondContact O-N 3.09Å; A50-R52 VanDerWaalsContact C-N 3.34Å; A50-R52 PolarHBondContact O-N 3.19Å; A50-A53 WeakPolarHBondContact O-CB 3.36Å; A50-A53 PolarHBondContact O-N 3.32Å; A50-I54 WeakPolarHBondContact O-CG1 3.48Å; A50-I54 PolarHBondContact O-N 3.23Å
51M82.4Confident85.4Confident90 Ų9058.6 Ų58.644%0.44330%0.301SS..Hα-helixtrans-60.3-42.8174.5-85.8-171.4-95.900112.1E47 A53 I54 D55E47-M51 HydrophobicContact CG-CE 3.86Å; E47-M51 PolarHBondContact O-N 3.32Å; M51-A53 VanDerWaalsContact C-N 3.3Å; M51-A53 PolarHBondContact O-N 3.43Å; M51-I54 PolarHBondContact O-N 2.79Å; M51-D55 PolarHBondContact O-N 2.59Å
52R86.2Confident85.1Confident145 Ų14562.8 Ų62.855%0.54732%0.321SS..Hα-helixtrans-61.8-39.2176.3-172.9-176-63.9-175.3-1111.8K48 A49 A50 V56K48-R52 WeakPolarHBondContact O-CB 3.5Å; K48-R52 PolarHBondContact O-N 2.94Å; A49-R52 PolarHBondContact O-N 3.28Å; A50-R52 VanDerWaalsContact C-N 3.34Å; A50-R52 PolarHBondContact O-N 3.19Å; R52-V56 HydrophobicContact CG-CG2 4.17Å; R52-V56 VanDerWaalsContact O-CB 3.28Å; R52-V56 WeakPolarHBondContact O-CB 3.23Å; R52-V56 WeakPolarHBondContact O-CG2 3.45Å; R52-V56 PolarHBondContact O-N 2.92Å
53A86.1Confident84.8Confident0 Ų063.6 Ų63.60%033%0.325CS..Hα-helixtrans-63.7-43.5177.500000111.8L4 F22 I27 A49 A50 M51 L57L4-A53 HydrophobicContact CD1-CB 3.48Å; L4-A53 VanDerWaalsContact CD1-CB 3.48Å; F22-A53 HydrophobicContact CE1-CB 4.24Å; F22-A53 HydrophobicContact CZ-CB 4.49Å; I27-A53 HydrophobicContact CD1-CB 4.16Å; I27-A53 HydrophobicContact CG2-CB 3.69Å; A49-A53 WeakPolarHBondContact O-CB 3.43Å; A49-A53 PolarHBondContact O-N 3.42Å; A50-A53 WeakPolarHBondContact O-CB 3.36Å; A50-A53 PolarHBondContact O-N 3.32Å; M51-A53 VanDerWaalsContact C-N 3.3Å; M51-A53 PolarHBondContact O-N 3.43Å; A53-L57 WeakPolarHBondContact O-CB 3.48Å; A53-L57 WeakPolarHBondContact O-CG 3.37Å; A53-L57 PolarHBondContact O-N 3.44Å
54I87Confident84.5Confident37 Ų3766 Ų6619%0.1934%0.335CS..Hα-helixtrans-62.4-50.5177-66.8166.4000110.3L4 A50 M51 V56 S58 V70 H72L4-I54 HydrophobicContact CD2-CD1 3.84Å; L4-I54 HydrophobicContact CD2-CG1 3.93Å; A50-I54 WeakPolarHBondContact O-CG1 3.48Å; A50-I54 PolarHBondContact O-N 3.23Å; M51-I54 PolarHBondContact O-N 2.79Å; I54-V56 VanDerWaalsContact C-N 3.29Å; I54-V56 PolarHBondContact O-N 3.17Å; I54-S58 WeakPolarHBondContact O-CB 3.37Å; I54-S58 PolarHBondContact O-N 2.93Å; I54-S58 VanDerWaalsContact O-N 3.08Å; I54-V70 HydrophobicContact CG1-CG1 4.02Å; I54-H72 WeakPolarHBondContact CD1-CD2 3.4Å
55D85.6Confident84.1Confident109 Ų10969 Ų6958%0.58337%0.367SS*.Hα-helixtrans-63.9-33.4-177-77.5-15.8000113.5M51 K60M51-D55 PolarHBondContact O-N 2.59Å; D55-K60 WeakPolarHBondContact O-CE 3.42Å; D55-K60 PolarHBondContact O-NZ 3.44Å
56V86.4Confident83.9Confident41 Ų4170.3 Ų70.325%0.24837%0.367CS..Hα-helixtrans-92.7-38.7-173.4175.80000112.1W25 R52 I54 K60W25-V56 HydrophobicContact CB-CG1 4.09Å; W25-V56 HydrophobicContact CD2-CG1 3.63Å; W25-V56 HydrophobicContact CE3-CG1 3.27Å; W25-V56 HydrophobicContact CG-CG1 4Å; W25-V56 HydrophobicContact CZ3-CG1 3.89Å; R52-V56 HydrophobicContact CG-CG2 4.17Å; R52-V56 VanDerWaalsContact O-CB 3.28Å; R52-V56 WeakPolarHBondContact O-CB 3.23Å; R52-V56 WeakPolarHBondContact O-CG2 3.45Å; R52-V56 PolarHBondContact O-N 2.92Å; I54-V56 VanDerWaalsContact C-N 3.29Å; I54-V56 PolarHBondContact O-N 3.17Å; V56-K60 WeakPolarHBondContact O-CB 3.32Å
57L87.4Confident84Confident0 Ų067.7 Ų67.70%035%0.354CS..Hα-helixtrans-96.5-36.7-172.4-56.7179.7000113I21 F22 W25 I27 A53 G59 K60 V61 V70I21-L57 HydrophobicContact CG2-CD1 4.37Å; I21-L57 HydrophobicContact CG2-CD2 3.72Å; F22-L57 HydrophobicContact CD2-CD1 3.77Å; F22-L57 HydrophobicContact CE1-CD1 4.28Å; F22-L57 HydrophobicContact CE2-CD1 3.31Å; F22-L57 HydrophobicContact CG-CD1 4.41Å; F22-L57 HydrophobicContact CZ-CD1 3.6Å; W25-L57 HydrophobicContact CB-CD2 4.16Å; W25-L57 HydrophobicContact CG-CD2 3.82Å; I27-L57 HydrophobicContact CD1-CD1 3.53Å; I27-L57 HydrophobicContact CD1-CD2 3.86Å; I27-L57 HydrophobicContact CD1-CG 3.55Å; A53-L57 WeakPolarHBondContact O-CB 3.48Å; A53-L57 WeakPolarHBondContact O-CG 3.37Å; A53-L57 PolarHBondContact O-N 3.44Å; L57-G59 PolarHBondContact O-N 3.18Å; L57-K60 PolarHBondContact O-N 3.36Å; L57-V61 HydrophobicContact CD2-CB 4.3Å; L57-V61 HydrophobicContact CD2-CG2 3.69Å; L57-V61 PolarHBondContact O-N 2.91Å; L57-V70 HydrophobicContact CB-CB 4.49Å; L57-V70 HydrophobicContact CB-CG2 3.69Å; L57-V70 HydrophobicContact CD1-CG2 4.45Å
58S88.6Confident84.5Confident38 Ų3862.2 Ų62.227%0.26633%0.329SS..THydrogen-bonded Turntrans-66.7119.7-173.9-160.20000111.2I54 K60 V70I54-S58 WeakPolarHBondContact O-CB 3.37Å; I54-S58 PolarHBondContact O-N 2.93Å; I54-S58 VanDerWaalsContact O-N 3.08Å; S58-K60 PolarHBondContact O-N 2.78Å; S58-V70 WeakPolarHBondContact CB-O 3.21Å; S58-V70 PolarHBondContact OG-N 3.4Å; S58-V70 PolarHBondContact OG-O 3.47Å
59G80Confident84.7Confident54 Ų5459 Ų5956%0.55732%0.317SS*.THydrogen-bonded Turntrans73.63.5178.300000115.1L57 V67 L68L57-G59 PolarHBondContact O-N 3.18Å; G59-V67 VanDerWaalsContact C-CG1 3.41Å; G59-V67 VanDerWaalsContact CA-CG1 3.43Å; G59-L68 PolarHBondContact N-O 3.39Å
60K82.6Confident84.9Confident151 Ų15158.7 Ų58.766%0.65731%0.314SS*.THydrogen-bonded Turntrans-126-23-170.6-68.2176.2-174.6170.90114.4D55 V56 L57 S58D55-K60 WeakPolarHBondContact O-CE 3.42Å; D55-K60 PolarHBondContact O-NZ 3.44Å; V56-K60 WeakPolarHBondContact O-CB 3.32Å; L57-K60 PolarHBondContact O-N 3.36Å; S58-K60 PolarHBondContact O-N 2.78Å
61V85.6Confident84.8Confident11 Ų1164.1 Ų64.17%0.06734%0.339CS..  trans-113.4131-179.7176.70000109.4I21 W25 L57 L68I21-V61 HydrophobicContact CD1-CG1 4.14Å; I21-V61 HydrophobicContact CG1-CG1 4.46Å; I21-V61 HydrophobicContact CG2-CG1 3.96Å; W25-V61 HydrophobicContact CZ2-CG2 3.87Å; L57-V61 HydrophobicContact CD2-CB 4.3Å; L57-V61 HydrophobicContact CD2-CG2 3.69Å; L57-V61 PolarHBondContact O-N 2.91Å; V61-L68 HydrophobicContact CG1-CD1 4.37Å; V61-L68 PolarHBondContact O-N 3.31Å
62E85.4Confident84.9Confident133 Ų13363.7 Ų63.762%0.62134%0.336SS*.EExtended strand (participates in β ladder)trans-103.6135.4175.9-70.6-179.1-177.700110.7K66 V67E62-K66 CarbonylContact C-O 3.6Å; E62-K66 VanDerWaalsContact CA-O 3.28Å; E62-K66 WeakPolarHBondContact CA-O 3.48Å; E62-V67 HydrophobicContact CG-CB 4.24Å; E62-V67 HydrophobicContact CG-CG2 3.59Å; E62-V67 WeakPolarHBondContact OE1-CG2 3.33Å
63L84.2Confident84.4Confident16 Ų1658.1 Ų58.18%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-124.1121.9171.5179.863.6000108.6A13 D17 L18 I21 G65 K66 L68A13-L63 HydrophobicContact CB-CD2 3.69Å; A13-L63 HydrophobicContact CB-CG 4.44Å; D17-L63 HydrophobicContact CB-CD1 3.9Å; D17-L63 HydrophobicContact CB-CD2 4.16Å; L18-L63 HydrophobicContact CD2-CD2 3.86Å; L18-L63 HydrophobicContact CG-CD2 4.34Å; I21-L63 HydrophobicContact CD1-CB 3.94Å; I21-L63 HydrophobicContact CD1-CD1 3.85Å; I21-L63 HydrophobicContact CD1-CD2 4.13Å; I21-L63 HydrophobicContact CD1-CG 4.17Å; L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 2.94Å; L63-K66 PolarHBondContact N-O 3.01Å; L63-K66 PolarHBondContact O-N 3.27Å; L63-L68 HydrophobicContact CB-CD1 4.2Å; L63-L68 HydrophobicContact CB-CD2 4.02Å; L63-L68 HydrophobicContact CB-CG 4.15Å; L63-L68 HydrophobicContact CD2-CD2 4.47Å
64H83.9Confident83.3Confident97 Ų9764 Ų6445%0.44936%0.355SS..THydrogen-bonded Turntrans51.343-178.1-60.7-60.3000113.2D17 K66D17-H64 IonicContact OD2-NE2 3.56Å; D17-H64 PolarHBondContact OD2-NE2 2.93Å; H64-K66 VanDerWaalsContact C-N 3.28Å; H64-K66 PolarHBondContact O-N 2.92Å
65G76.8Confident81.6Confident69 Ų6967.6 Ų67.671%0.71138%0.381SS*.THydrogen-bonded Turntrans74.410.9178.900000115.2L63L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 2.94Å
66K80.9Confident79.7Confident85 Ų8571.8 Ų71.837%0.3739%0.394SS..EExtended strand (participates in β ladder)trans-117.4129.9173.3-64.8-171.1-179.7-173.30111N8 E62 L63 H64 L68N8-K66 WeakPolarHBondContact O-CB 3.33Å; E62-K66 CarbonylContact C-O 3.6Å; E62-K66 VanDerWaalsContact CA-O 3.28Å; E62-K66 WeakPolarHBondContact CA-O 3.48Å; L63-K66 PolarHBondContact N-O 3.01Å; L63-K66 PolarHBondContact O-N 3.27Å; H64-K66 VanDerWaalsContact C-N 3.28Å; H64-K66 PolarHBondContact O-N 2.92Å; K66-L68 PolarHBondContact O-N 3.24Å
67V85.4Confident78Confident49 Ų4978.4 Ų78.430%0.29741%0.414SS..EExtended strand (participates in β ladder)trans-70.1123.9174-173.50000109.1N8 G59 E62N8-V67 WeakPolarHBondContact CB-O 3.2Å; N8-V67 PolarHBondContact ND2-O 3.47Å; G59-V67 VanDerWaalsContact C-CG1 3.41Å; G59-V67 VanDerWaalsContact CA-CG1 3.43Å; E62-V67 HydrophobicContact CG-CB 4.24Å; E62-V67 HydrophobicContact CG-CG2 3.59Å; E62-V67 WeakPolarHBondContact OE1-CG2 3.33Å
68L88.3Confident76.3Confident1 Ų185.8 Ų85.81%0.00545%0.449CS..  trans-71.6139.7177.8-63.3-179.6000110.8I6 V9 L18 I21 G59 V61 L63 K66I6-L68 HydrophobicContact CG2-CD2 4.2Å; V9-L68 HydrophobicContact CG2-CD2 3.96Å; L18-L68 HydrophobicContact CD2-CD1 4.2Å; I21-L68 HydrophobicContact CD1-CD1 3.91Å; G59-L68 PolarHBondContact N-O 3.39Å; V61-L68 HydrophobicContact CG1-CD1 4.37Å; V61-L68 PolarHBondContact O-N 3.31Å; L63-L68 HydrophobicContact CB-CD1 4.2Å; L63-L68 HydrophobicContact CB-CD2 4.02Å; L63-L68 HydrophobicContact CB-CG 4.15Å; L63-L68 HydrophobicContact CD2-CD2 4.47Å; K66-L68 PolarHBondContact O-N 3.24Å
69E86.1Confident74.8Confident106 Ų10690.5 Ų90.550%0.49546%0.461SS..EExtended strand (participates in β ladder)trans-111.5113.8173.1-69-179.3167.700108.4I6 G7 N8I6-E69 CarbonylContact C-O 3.59Å; I6-E69 WeakPolarHBondContact CA-O 3.17Å; G7-E69 PolarHBondContact N-O 2.98Å; G7-E69 PolarHBondContact O-N 3.41Å; G7-E69 VanDerWaalsContact O-N 3.1Å; N8-E69 HydrophobicContact CB-CG 4.44Å
70V88.9Confident74.2Confident1 Ų188.8 Ų88.81%0.00644%0.44CS..EExtended strand (participates in β ladder)trans-111.5125.9-177.4-1730000109.6L4 Y5 I6 I54 L57 S58L4-V70 HydrophobicContact CB-CG1 4.45Å; L4-V70 HydrophobicContact CD1-CG1 4.13Å; L4-V70 HydrophobicContact CD2-CG1 4.45Å; Y5-V70 WeakPolarHBondContact O-CA 3.44Å; I6-V70 HydrophobicContact CG1-CG1 4.41Å; I6-V70 HydrophobicContact CG1-CG2 4.31Å; I6-V70 HydrophobicContact CG2-CG2 4.22Å; I54-V70 HydrophobicContact CG1-CG1 4.02Å; L57-V70 HydrophobicContact CB-CB 4.49Å; L57-V70 HydrophobicContact CB-CG2 3.69Å; L57-V70 HydrophobicContact CD1-CG2 4.45Å; S58-V70 WeakPolarHBondContact CB-O 3.21Å; S58-V70 PolarHBondContact OG-N 3.4Å; S58-V70 PolarHBondContact OG-O 3.47Å
71E84.3Confident74Confident113 Ų11382.5 Ų82.553%0.52842%0.415SS..EExtended strand (participates in β ladder)trans-137.4163.4-178.4-63.5-171.2164.200111.4L4 Y5 S73L4-E71 CarbonylContact C-O 3.6Å; L4-E71 WeakPolarHBondContact CA-O 3.49Å; L4-E71 WeakPolarHBondContact CD2-O 3.33Å; Y5-E71 PolarHBondContact N-O 3.27Å; Y5-E71 PolarHBondContact O-N 3.37Å; E71-S73 PolarHBondContact O-N 3.39Å
72H83.1Confident73.8Confident81 Ų8184.3 Ų84.338%0.37542%0.422SS..EExtended strand (participates in β ladder)trans-65.8131.1168.8-83.1-73.7000110.6I54 V74I54-H72 WeakPolarHBondContact CD1-CD2 3.4Å; H72-V74 PolarHBondContact O-N 3Å; H72-V74 VanDerWaalsContact O-N 3.15Å
73S75.6Confident73.9Confident29 Ų2978 Ų7820%0.20339%0.393CS..PPolyproline II helixtrans-66.9116.4174.9175.30000109.6K3 E71K3-S73 WeakPolarHBondContact O-CB 3.31Å; K3-S73 PolarHBondContact O-N 3.05Å; E71-S73 PolarHBondContact O-N 3.39Å
74V64Low74.1Confident122 Ų12278.7 Ų78.774%0.73940%0.395SS*.PPolyproline II helixtrans-67.4126.1174-172.40000109.4H72 K76H72-V74 PolarHBondContact O-N 3Å; H72-V74 VanDerWaalsContact O-N 3.15Å; V74-K76 PolarHBondContact O-N 2.97Å
75P49.8Very low74.3Confident113 Ų11374.1 Ų74.173%0.73437%0.374SS*.PPolyproline II helixtrans-58.6132.1173.1-1929.4000109.7R77P75-R77 PolarHBondContact O-N 3.33Å; P75-R77 VanDerWaalsContact O-N 3.11Å
76K47.1Very low74.8Confident198 Ų19876.1 Ų76.186%0.86136%0.36SS*.PPolyproline II helixtrans-56.1123.1171.2-81.9179.8177.8171.60108.4V74 Q78V74-K76 PolarHBondContact O-N 2.97Å; K76-Q78 PolarHBondContact O-N 3.02Å; K76-Q78 VanDerWaalsContact O-N 3.09Å
77R49.8Very low75Confident180 Ų18074.6 Ų74.668%0.67936%0.356SS*.  trans-39.9118.4173.9-74.5-174.4-177.3177.95109.6P75 R79 S166P75-R77 PolarHBondContact O-N 3.33Å; P75-R77 VanDerWaalsContact O-N 3.11Å; R77-R79 PolarHBondContact O-N 2.7Å; R77-S166 PolarHBondContact NH2-O 3.46Å
78Q51.7Low74.9Confident154 Ų15472.4 Ų72.472%0.7234%0.343SS*.PPolyproline II helixtrans-56.9125.8177.8-99174.1-11.200108.7K76K76-Q78 PolarHBondContact O-N 3.02Å; K76-Q78 VanDerWaalsContact O-N 3.09Å
79R57.3Low74.5Confident137 Ų13772.5 Ų72.552%0.51734%0.343SS..PPolyproline II helixtrans-74.7135.3177.7-60.3179.4-175.9-175.51.6107.9R77 Y153R77-R79 PolarHBondContact O-N 2.7Å; R79-Y153 HydrophobicContact CB-CD1 4.17Å; R79-Y153 HydrophobicContact CB-CD2 4.47Å; R79-Y153 HydrophobicContact CB-CE1 3.78Å; R79-Y153 HydrophobicContact CB-CE2 4.12Å; R79-Y153 HydrophobicContact CG-CE2 4.23Å
80S66.9Low73.9Confident18 Ų1871.4 Ų71.413%0.12635%0.345CS..PPolyproline II helixtrans-66.8163.2-175.252.30000112.5K82 Y153 I154S80-K82 PolarHBondContact OG-O 2.94Å; S80-Y153 WeakPolarHBondContact O-CD1 3.35Å; S80-Y153 VanDerWaalsContact O-CE1 3.24Å; S80-Y153 WeakPolarHBondContact O-CE1 3.44Å; S80-Y153 WeakPolarHBondContact OG-CD1 3.36Å; S80-I154 WeakPolarHBondContact CB-O 3.14Å; S80-I154 PolarHBondContact OG-O 3.4Å
81C78.3Confident73.2Confident19 Ų1976.5 Ų76.513%0.12837%0.369CS..SBendtrans-79.3-9.3172.9-49.30000112R125 Y126 R129 D156C81-R125 HydrophobicContact CB-CG 4.49Å; C81-Y126 WeakPolarHBondContact CB-O 3.22Å; C81-Y126 PolarHBondContact O-N 2.84Å; C81-R129 WeakPolarHBondContact SG-CG 3.46Å; C81-D156 PolarHBondContact N-OD2 2.82Å
82K82.9Confident72.8Confident50 Ų5073 Ų7322%0.21735%0.353CS..EExtended strand (participates in β ladder)trans-104.1125.4-172.7-154.3171.7-172.4174.90111.4S80 V124 R125 I154 D156S80-K82 PolarHBondContact OG-O 2.94Å; K82-V124 CarbonylContact C-O 3.53Å; K82-V124 WeakPolarHBondContact CA-O 3.41Å; K82-R125 HydrophobicContact CG-CB 4.33Å; K82-I154 HydrophobicContact CB-CB 4.23Å; K82-I154 HydrophobicContact CD-CB 4.43Å; K82-I154 HydrophobicContact CD-CD1 4.48Å; K82-I154 HydrophobicContact CD-CG2 4.38Å; K82-I154 HydrophobicContact CG-CB 4.23Å; K82-I154 HydrophobicContact CG-CD1 4.25Å; K82-I154 PolarHBondContact O-N 3.14Å; K82-D156 WeakPolarHBondContact CB-OD1 3.3Å
83L86.4Confident72.4Confident1 Ų175.2 Ų75.21%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-113.8150.4178.1-59.2-176.7000110.1N123 V124 Y126 A132 A135 M136 V151 S152 Y153L83-N123 CarbonylContact O-C 3.23Å; L83-N123 VanDerWaalsContact O-CA 3.31Å; L83-N123 WeakPolarHBondContact O-CA 3.31Å; L83-V124 PolarHBondContact N-O 3.36Å; L83-V124 PolarHBondContact O-N 2.89Å; L83-Y126 HydrophobicContact CD1-CD2 4.2Å; L83-Y126 HydrophobicContact CD1-CE2 3.86Å; L83-A132 HydrophobicContact CD1-CB 4.33Å; L83-A132 WeakPolarHBondContact CD1-O 3.46Å; L83-A132 HydrophobicContact CD2-CB 4.39Å; L83-A132 HydrophobicContact CG-CB 4.21Å; L83-A135 HydrophobicContact CD1-CB 3.89Å; L83-M136 HydrophobicContact CD1-CB 4.43Å; L83-M136 HydrophobicContact CD2-CB 4.38Å; L83-M136 HydrophobicContact CD2-CE 3.92Å; L83-V151 HydrophobicContact CB-CG1 4.05Å; L83-V151 HydrophobicContact CD1-CG1 4Å; L83-V151 HydrophobicContact CD2-CG1 4.39Å; L83-V151 HydrophobicContact CG-CG1 4.39Å; L83-S152 CarbonylContact C-O 3.58Å; L83-S152 WeakPolarHBondContact CA-O 3.49Å; L83-Y153 HydrophobicContact CD2-CD1 3.4Å; L83-Y153 HydrophobicContact CD2-CE1 3.42Å; L83-Y153 VanDerWaalsContact CD2-CE1 3.42Å; L83-Y153 HydrophobicContact CD2-CG 4Å
84Q88.1Confident72.3Confident29 Ų2978.7 Ų78.714%0.13637%0.372CS..EExtended strand (participates in β ladder)trans-118.1123.6166.9177.2170.88900108.6R86 V121 V122 N123 V151 S152 I154Q84-R86 HydrophobicContact CG-CG 3.98Å; Q84-V121 HydrophobicContact CG-CG1 3.75Å; Q84-V122 WeakPolarHBondContact CA-O 3.46Å; Q84-N123 WeakPolarHBondContact CG-OD1 3.42Å; Q84-N123 PolarHBondContact NE2-OD1 2.8Å; Q84-V151 CarbonylContact O-C 3.31Å; Q84-V151 VanDerWaalsContact O-CA 3.32Å; Q84-V151 WeakPolarHBondContact O-CA 3.39Å; Q84-S152 PolarHBondContact N-O 2.91Å; Q84-S152 PolarHBondContact O-N 3.23Å; Q84-S152 PolarHBondContact O-OG 3.44Å; Q84-I154 HydrophobicContact CB-CD1 3.67Å; Q84-I154 HydrophobicContact CB-CG1 3.74Å
85I89.1Confident72.9Confident1 Ų179.1 Ų79.11%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-106.3123.2177.6-52.7179.7000107.3I88 L101 V121 V122 V124 L139 L149 V151I85-I88 HydrophobicContact CB-CD1 4.1Å; I85-I88 HydrophobicContact CG2-CD1 3.78Å; I85-I88 HydrophobicContact CG2-CG1 3.84Å; I85-L101 HydrophobicContact CD1-CD2 3.47Å; I85-L101 VanDerWaalsContact CD1-CD2 3.47Å; I85-V121 WeakPolarHBondContact O-CA 3.37Å; I85-V122 PolarHBondContact N-O 3.3Å; I85-V122 PolarHBondContact O-N 2.9Å; I85-V124 HydrophobicContact CD1-CG2 3.92Å; I85-V124 HydrophobicContact CG1-CG2 4.42Å; I85-L139 HydrophobicContact CD1-CD1 4.16Å; I85-L149 HydrophobicContact CG2-CD1 4.18Å; I85-L149 HydrophobicContact CG2-CD2 4.19Å; I85-V151 HydrophobicContact CB-CG2 4.45Å; I85-V151 HydrophobicContact CG1-CG1 4.06Å; I85-V151 HydrophobicContact CG1-CG2 3.97Å; I85-V151 HydrophobicContact CG2-CG2 4.19Å
86R86.9Confident74.2Confident112 Ų11277.7 Ų77.742%0.42336%0.355SS..EExtended strand (participates in β ladder)trans-117.5164.9179.4-56-179.4114.4137.5-6109.6Q84 V121 K150Q84-R86 HydrophobicContact CG-CG 3.98Å; R86-V121 HydrophobicContact CB-CG2 4.21Å; R86-V121 HydrophobicContact CG-CG1 3.92Å; R86-V121 HydrophobicContact CG-CG2 4.02Å; R86-K150 HydrophobicContact CB-CB 4.43Å; R86-K150 PolarHBondContact N-O 3.17Å; R86-K150 PolarHBondContact O-N 2.81Å
87N84.4Confident75.8Confident52 Ų5268.6 Ų68.628%0.27832%0.316SS..EExtended strand (participates in β ladder)trans69.234.3179.3-152.442.4000113.1T119 Y147 A148N87-T119 WeakPolarHBondContact CA-OG1 3.3Å; N87-T119 WeakPolarHBondContact OD1-CG2 3.41Å; N87-Y147 WeakPolarHBondContact O-CB 3.35Å; N87-A148 WeakPolarHBondContact CB-O 3.46Å; N87-A148 PolarHBondContact ND2-N 2.88Å; N87-A148 PolarHBondContact ND2-O 3.38Å
88I84.2Confident77Confident4 Ų463.3 Ų63.32%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-81.4133.7175.7-60.1165.4000108.4I85 M92 L97 T119 A120 V122 L149I85-I88 HydrophobicContact CB-CD1 4.1Å; I85-I88 HydrophobicContact CG2-CD1 3.78Å; I85-I88 HydrophobicContact CG2-CG1 3.84Å; I88-M92 HydrophobicContact CG2-CB 4.16Å; I88-M92 HydrophobicContact CG2-CG 4.38Å; I88-M92 HydrophobicContact CG2-SD 3.72Å; I88-L97 HydrophobicContact CD1-CD1 4.33Å; I88-L97 HydrophobicContact CD1-CD2 4.05Å; I88-T119 CarbonylContact O-C 3.53Å; I88-T119 WeakPolarHBondContact O-CA 3.46Å; I88-T119 WeakPolarHBondContact O-CB 3.44Å; I88-A120 HydrophobicContact CB-CB 4.04Å; I88-A120 WeakPolarHBondContact CB-O 3.38Å; I88-A120 HydrophobicContact CG2-CB 4.33Å; I88-A120 PolarHBondContact N-O 3.36Å; I88-A120 VanDerWaalsContact N-O 3.11Å; I88-A120 PolarHBondContact O-N 2.84Å; I88-V122 HydrophobicContact CD1-CB 3.82Å; I88-V122 HydrophobicContact CD1-CG2 3.61Å; I88-L149 HydrophobicContact CB-CD2 4.45Å; I88-L149 HydrophobicContact CG1-CD2 3.79Å
89P80.7Confident78.3Confident2 Ų257.7 Ų57.71%0.01329%0.285CS..  trans-57133.2177.7-20.429.5000111.5H91 M92 Y147P89-H91 VanDerWaalsContact CB-CE1 3.46Å; P89-H91 WeakPolarHBondContact CB-CE1 3.24Å; P89-H91 PolarHBondContact O-N 2.88Å; P89-M92 HydrophobicContact CB-CB 4.41Å; P89-M92 HydrophobicContact CG-CE 4.39Å; P89-M92 VanDerWaalsContact O-CB 3.24Å; P89-M92 WeakPolarHBondContact O-CB 3.46Å; P89-M92 PolarHBondContact O-N 2.83Å; P89-M92 VanDerWaalsContact O-N 3.09Å; P89-Y147 HydrophobicContact CB-CD2 4.05Å; P89-Y147 HydrophobicContact CB-CE2 4.19Å; P89-Y147 HydrophobicContact CG-CD2 3.69Å; P89-Y147 HydrophobicContact CG-CE2 4.33Å; P89-Y147 HydrophobicContact CG-CG 4.1Å
90P72.5Confident79.4Confident83 Ų8352.9 Ų52.954%0.53927%0.269SS..THydrogen-bonded Turntrans-67.3-20.5-173.826.7-34.9000113.7
91H73.4Confident80.2Confident109 Ų10952.1 Ų52.151%0.50526%0.263SS..THydrogen-bonded Turntrans-91.73.8176.561.4-78.4000113.6P89 Q93 E145P89-H91 VanDerWaalsContact CB-CE1 3.46Å; P89-H91 WeakPolarHBondContact CB-CE1 3.24Å; P89-H91 PolarHBondContact O-N 2.88Å; H91-Q93 PolarHBondContact O-N 2.79Å; H91-E145 IonicContact CD2-OE2 3.78Å; H91-E145 IonicContact CE1-OE2 2.71Å; H91-E145 IonicContact NE2-OE2 2.59Å; H91-E145 PolarHBondContact NE2-OE2 3.04Å
92M76.3Confident80.5Confident39 Ų3953.8 Ų53.819%0.19228%0.278CS..  trans-70.3126.3177.8177165.2-78.300110.9I88 P89 L97 M144I88-M92 HydrophobicContact CG2-CB 4.16Å; I88-M92 HydrophobicContact CG2-CG 4.38Å; I88-M92 HydrophobicContact CG2-SD 3.72Å; P89-M92 HydrophobicContact CB-CB 4.41Å; P89-M92 HydrophobicContact CG-CE 4.39Å; P89-M92 VanDerWaalsContact O-CB 3.24Å; P89-M92 WeakPolarHBondContact O-CB 3.46Å; P89-M92 PolarHBondContact O-N 2.83Å; P89-M92 VanDerWaalsContact O-N 3.09Å; M92-L97 HydrophobicContact SD-CB 4.2Å; M92-L97 HydrophobicContact SD-CD1 4.33Å; M92-M144 HydrophobicContact CE-CE 3.56Å; M92-M144 HydrophobicContact CE-SD 3.86Å; M92-M144 HydrophobicContact SD-CE 4.21Å
93Q74.5Confident80.6Confident128 Ų12858.2 Ų58.260%0.59830%0.3SS*.  trans-72.9143.7175.1-60.4-62.1-21.600111H91 E95 V96 L97H91-Q93 PolarHBondContact O-N 2.79Å; Q93-E95 VanDerWaalsContact C-N 3.28Å; Q93-E95 PolarHBondContact O-N 2.79Å; Q93-V96 HydrophobicContact CB-CG2 4.37Å; Q93-V96 PolarHBondContact O-N 2.71Å; Q93-L97 PolarHBondContact O-N 2.9Å
94W73.6Confident80.5Confident102 Ų10260.4 Ų60.439%0.38631%0.308SS..Hα-helixtrans-61.3-36.8-175-179.7-105.5000112.6V96 L97 D98 C110 V122W94-V96 VanDerWaalsContact C-N 3.26Å; W94-V96 PolarHBondContact O-N 3.11Å; W94-L97 HydrophobicContact CE3-CD2 4.24Å; W94-L97 HydrophobicContact CZ3-CD2 4.15Å; W94-L97 PolarHBondContact O-N 2.85Å; W94-D98 WeakPolarHBondContact O-CB 3.42Å; W94-D98 PolarHBondContact O-N 3.34Å; W94-C110 HydrophobicContact CH2-CB 3.65Å; W94-C110 WeakPolarHBondContact CH2-O 3.27Å; W94-C110 WeakPolarHBondContact CH2-SG 3.35Å; W94-C110 HydrophobicContact CZ2-CB 3.65Å; W94-V122 HydrophobicContact CH2-CG1 4.24Å; W94-V122 HydrophobicContact CZ3-CG1 4.1Å; W94-V122 HydrophobicContact CZ3-CG2 4.24Å
95E76.3Confident80.2Confident131 Ų13159.7 Ų59.761%0.61231%0.309SS*.Hα-helixtrans-63.8-32.7-178.6-61.575.6-166.700112.2Q93 G99Q93-E95 VanDerWaalsContact C-N 3.28Å; Q93-E95 PolarHBondContact O-N 2.79Å; E95-G99 PolarHBondContact O-N 2.76Å
96V78.8Confident79.8Confident82 Ų8262.4 Ų62.450%0.49733%0.331SS..Hα-helixtrans-72.4-43.4177-178.80000110.1Q93 W94 M100Q93-V96 HydrophobicContact CB-CG2 4.37Å; Q93-V96 PolarHBondContact O-N 2.71Å; W94-V96 VanDerWaalsContact C-N 3.26Å; W94-V96 PolarHBondContact O-N 3.11Å; V96-M100 WeakPolarHBondContact O-CG 3.25Å; V96-M100 PolarHBondContact O-N 3.3Å
97L79.2Confident79.8Confident8 Ų859 Ų594%0.04232%0.323CS..Hα-helixtrans-65.3-44.5176.9-176.965000111.3I88 M92 Q93 W94 M100 L101 V122I88-L97 HydrophobicContact CD1-CD1 4.33Å; I88-L97 HydrophobicContact CD1-CD2 4.05Å; M92-L97 HydrophobicContact SD-CB 4.2Å; M92-L97 HydrophobicContact SD-CD1 4.33Å; Q93-L97 PolarHBondContact O-N 2.9Å; W94-L97 HydrophobicContact CE3-CD2 4.24Å; W94-L97 HydrophobicContact CZ3-CD2 4.15Å; W94-L97 PolarHBondContact O-N 2.85Å; L97-M100 WeakPolarHBondContact O-CB 3.5Å; L97-M100 PolarHBondContact O-N 2.92Å; L97-L101 HydrophobicContact CD1-CD1 4.42Å; L97-L101 HydrophobicContact CG-CD1 4.04Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.17Å; L97-V122 HydrophobicContact CD2-CB 4.23Å; L97-V122 HydrophobicContact CD2-CG1 4.22Å; L97-V122 HydrophobicContact CD2-CG2 3.76Å
98D75.9Confident79.6Confident69 Ų6962 Ų6237%0.36934%0.335SS..Hα-helixtrans-61.9-45177.5-168.857000111.6W94 M100 L101 A102W94-D98 WeakPolarHBondContact O-CB 3.42Å; W94-D98 PolarHBondContact O-N 3.34Å; D98-M100 VanDerWaalsContact C-N 3.3Å; D98-M100 PolarHBondContact O-N 3.34Å; D98-L101 PolarHBondContact O-N 2.95Å; D98-A102 WeakPolarHBondContact O-CB 3.37Å; D98-A102 PolarHBondContact O-N 2.8Å
99G78.6Confident79.3Confident36 Ų3663.9 Ų63.937%0.37135%0.349SS..Hα-helixtrans-60.3-36.2174.300000113.6E95 Q103E95-G99 PolarHBondContact O-N 2.76Å; G99-Q103 WeakPolarHBondContact O-CG 3.49Å
100M81.1Confident79.3Confident36 Ų3665 Ų6518%0.17736%0.357CS..Hα-helixtrans-70-42.3173.8-73.9-179.366.700112.4V96 L97 D98 A102 Q103 Y104 L139 M144V96-M100 WeakPolarHBondContact O-CG 3.25Å; V96-M100 PolarHBondContact O-N 3.3Å; L97-M100 WeakPolarHBondContact O-CB 3.5Å; L97-M100 PolarHBondContact O-N 2.92Å; D98-M100 VanDerWaalsContact C-N 3.3Å; D98-M100 PolarHBondContact O-N 3.34Å; M100-A102 VanDerWaalsContact C-N 3.34Å; M100-Q103 PolarHBondContact O-N 3.23Å; M100-Y104 WeakPolarHBondContact O-CD2 3.32Å; M100-Y104 WeakPolarHBondContact O-CE2 3.45Å; M100-L139 HydrophobicContact CE-CD2 3.89Å; M100-M144 HydrophobicContact CE-CE 3.96Å; M100-M144 HydrophobicContact CE-SD 3.55Å; M100-M144 VanDerWaalsContact CE-SD 3.55Å; M100-M144 HydrophobicContact SD-CE 4.04Å; M100-M144 HydrophobicContact SD-SD 3.52Å
101L84.3Confident79.7Confident1 Ų165.8 Ų65.81%0.00535%0.353CS..Hα-helixtrans-67.3-37.2-179.2-67.1170.1000111.8I85 L97 D98 Q103 Y104 V107 V124 Y126 L139I85-L101 HydrophobicContact CD1-CD2 3.47Å; I85-L101 VanDerWaalsContact CD1-CD2 3.47Å; L97-L101 HydrophobicContact CD1-CD1 4.42Å; L97-L101 HydrophobicContact CG-CD1 4.04Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.17Å; D98-L101 PolarHBondContact O-N 2.95Å; L101-Q103 VanDerWaalsContact C-N 3.29Å; L101-Q103 PolarHBondContact O-N 3.05Å; L101-Y104 PolarHBondContact O-N 2.94Å; L101-V107 HydrophobicContact CB-CG2 3.87Å; L101-V124 HydrophobicContact CD1-CB 4.47Å; L101-V124 HydrophobicContact CD1-CG1 4.04Å; L101-V124 HydrophobicContact CD1-CG2 3.56Å; L101-V124 HydrophobicContact CD2-CG1 4.29Å; L101-V124 HydrophobicContact CD2-CG2 3.96Å; L101-V124 HydrophobicContact CG-CG2 4.41Å; L101-Y126 WeakPolarHBondContact CA-OH 3.38Å; L101-Y126 WeakPolarHBondContact CD2-OH 3.39Å; L101-Y126 WeakPolarHBondContact O-CE1 3.47Å; L101-Y126 PolarHBondContact O-OH 2.93Å; L101-L139 HydrophobicContact CD2-CD1 3.83Å
102A84.4Confident79.9Confident55 Ų5566.5 Ų66.546%0.45536%0.357SS..Hα-helixtrans-64.9-26.9178.500000113.6D98 M100 Y104 G105D98-A102 WeakPolarHBondContact O-CB 3.37Å; D98-A102 PolarHBondContact O-N 2.8Å; M100-A102 VanDerWaalsContact C-N 3.34Å; A102-Y104 PolarHBondContact O-N 2.77Å; A102-G105 PolarHBondContact O-N 2.85Å
103Q83.1Confident79.9Confident143 Ų14366.7 Ų66.767%0.66836%0.36SS*.THydrogen-bonded Turntrans-63.1-24.1176.9-72.4173.527.800113.3G99 M100 L101G99-Q103 WeakPolarHBondContact O-CG 3.49Å; M100-Q103 PolarHBondContact O-N 3.23Å; L101-Q103 VanDerWaalsContact C-N 3.29Å; L101-Q103 PolarHBondContact O-N 3.05Å
104Y84.6Confident79.4Confident46 Ų4668.4 Ų68.418%0.1837%0.373CS..THydrogen-bonded Turntrans-100.3-2.4-177.1-53.1-67.9000113.2M100 L101 A102 H131 L134 A135 K138 L139M100-Y104 WeakPolarHBondContact O-CD2 3.32Å; M100-Y104 WeakPolarHBondContact O-CE2 3.45Å; L101-Y104 PolarHBondContact O-N 2.94Å; A102-Y104 PolarHBondContact O-N 2.77Å; Y104-H131 WeakPolarHBondContact O-CA 3.33Å; Y104-H131 VanDerWaalsContact O-CB 3.3Å; Y104-H131 WeakPolarHBondContact O-CB 3.24Å; Y104-L134 HydrophobicContact CD1-CD2 4.29Å; Y104-L134 HydrophobicContact CD1-CG 4.29Å; Y104-A135 HydrophobicContact CD2-CB 4.3Å; Y104-A135 HydrophobicContact CG-CB 4.14Å; Y104-K138 HydrophobicContact CD1-CB 4.25Å; Y104-K138 HydrophobicContact CD1-CG 4.43Å; Y104-K138 HydrophobicContact CE1-CB 3.59Å; Y104-K138 HydrophobicContact CE1-CG 3.95Å; Y104-L139 HydrophobicContact CD2-CD1 4.02Å; Y104-L139 HydrophobicContact CD2-CD2 4.49Å; Y104-L139 HydrophobicContact CD2-CG 4.18Å; Y104-L139 HydrophobicContact CE2-CD1 3.99Å; Y104-L139 HydrophobicContact CE2-CD2 3.64Å; Y104-L139 HydrophobicContact CE2-CG 3.71Å
105G83.2Confident78.9Confident14 Ų1465.8 Ų65.814%0.14437%0.368CS..SBendtrans140177.6172.600000113.5A102 V107A102-G105 PolarHBondContact O-N 2.85Å; G105-V107 PolarHBondContact O-N 2.77Å
106A80.9Confident77.9Confident58 Ų5868.3 Ų68.348%0.47939%0.386SS..  trans-65.5122-178.800000112Y126 A127 H131A106-Y126 WeakPolarHBondContact O-CA 3.47Å; A106-A127 HydrophobicContact CB-CB 4.09Å; A106-A127 PolarHBondContact O-N 3.35Å; A106-H131 PolarHBondContact N-ND1 3.19Å
107V85.2Confident77.1Confident41 Ų4168.1 Ų68.125%0.24839%0.385CS..EExtended strand (participates in β ladder)trans-92.2123.2176.5-1800000108.6L101 G105 C110 V124 Y126L101-V107 HydrophobicContact CB-CG2 3.87Å; G105-V107 PolarHBondContact O-N 2.77Å; V107-C110 HydrophobicContact CG1-CB 4.14Å; V107-V124 HydrophobicContact CG1-CG1 3.63Å; V107-V124 HydrophobicContact CG2-CG1 4.16Å; V107-Y126 HydrophobicContact CG2-CD1 4Å; V107-Y126 HydrophobicContact CG2-CE1 3.58Å
108E81.5Confident76.5Confident115 Ų11576.6 Ų76.654%0.53743%0.425SS..EExtended strand (participates in β ladder)trans-83.9-35.4176.3-73.5-177.3157.700112.3R125 A127E108-R125 PolarHBondContact N-O 3.36Å; E108-R125 WeakPolarHBondContact OE2-CD 3.26Å; E108-R125 IonicContact OE2-CZ 3.52Å; E108-R125 IonicContact OE2-NE 3.86Å; E108-R125 PolarHBondContact OE2-NE 2.86Å; E108-A127 HydrophobicContact CG-CB 3.77Å
109S78Confident76.5Confident44 Ų4474.3 Ų74.331%0.30841%0.413SS..EExtended strand (participates in β ladder)trans-155.8136.2-175.5-173.50000110.1V124 R125S109-V124 CarbonylContact O-C 3.57Å; S109-V124 WeakPolarHBondContact O-CA 3.4Å; S109-R125 PolarHBondContact N-O 2.78Å; S109-R125 PolarHBondContact O-N 2.98Å
110C80.7Confident76.6Confident26 Ų2673.4 Ų73.418%0.17640%0.402CS..EExtended strand (participates in β ladder)trans-135.7116176.6-164.30000107.9W94 V107 V122 N123W94-C110 HydrophobicContact CH2-CB 3.65Å; W94-C110 WeakPolarHBondContact CH2-O 3.27Å; W94-C110 WeakPolarHBondContact CH2-SG 3.35Å; W94-C110 HydrophobicContact CZ2-CB 3.65Å; V107-C110 HydrophobicContact CG1-CB 4.14Å; C110-V122 WeakPolarHBondContact SG-CG1 3.36Å; C110-N123 CarbonylContact C-O 3.57Å; C110-N123 WeakPolarHBondContact CA-O 3.26Å
111E79.4Confident76.7Confident99 Ų9971.9 Ų71.946%0.46340%0.395SS..EExtended strand (participates in β ladder)trans-124.8123.5-172.4-66.7173.1178.500109.7V122 N123E111-V122 CarbonylContact O-C 3.49Å; E111-V122 WeakPolarHBondContact O-CA 3.48Å; E111-N123 PolarHBondContact N-O 2.81Å; E111-N123 PolarHBondContact O-N 3.14Å
112Q78.6Confident76.8Confident124 Ų12472 Ų7258%0.57940%0.395SS*.EExtended strand (participates in β ladder)trans-74.6130.3170.8-169.4176.723.800110.1V122Q112-V122 HydrophobicContact CB-CG2 4.37Å; Q112-V122 HydrophobicContact CG-CG2 4.27Å
113V76.6Confident77Confident43 Ų4370.4 Ų70.426%0.26138%0.38SS..EExtended strand (participates in β ladder)trans-99120.9177.4-172.70000108.4T115 V121 N123V113-T115 HydrophobicContact CB-CG2 4.47Å; V113-T115 HydrophobicContact CG1-CG2 3.95Å; V113-T115 PolarHBondContact O-N 2.77Å; V113-T115 VanDerWaalsContact O-N 3.17Å; V113-V121 HydrophobicContact CB-CB 4.36Å; V113-V121 HydrophobicContact CB-CG1 4.2Å; V113-V121 HydrophobicContact CG2-CG1 4.44Å; V113-V121 PolarHBondContact N-O 2.91Å; V113-N123 HydrophobicContact CG2-CB 4.25Å; V113-N123 WeakPolarHBondContact CG2-ND2 3.41Å; V113-N123 WeakPolarHBondContact CG2-OD1 3.43Å
114N63Low77.2Confident163 Ų16363.6 Ų63.687%0.87235%0.348SS*.  trans-67.9113.7169.5-96.2-1.4000109.6
115T63.8Low77.3Confident47 Ų4766 Ų6629%0.28836%0.357SS..  trans-125.9149.3175.450.70000109.6V113 T117 V121V113-T115 HydrophobicContact CB-CG2 4.47Å; V113-T115 HydrophobicContact CG1-CG2 3.95Å; V113-T115 PolarHBondContact O-N 2.77Å; V113-T115 VanDerWaalsContact O-N 3.17Å; T115-T117 PolarHBondContact O-N 2.75Å; T115-T117 PolarHBondContact OG1-OG1 3.48Å; T115-V121 HydrophobicContact CG2-CB 4.14Å; T115-V121 HydrophobicContact CG2-CG2 4.04Å; T115-V121 WeakPolarHBondContact OG1-CG2 3.44Å
116D56.2Low77.5Confident184 Ų18465.4 Ų65.498%0.98435%0.35SS*.SBendtrans-7318.4179.5-50.2-40000113.2
117T61.1Low77.4Confident79 Ų7965.1 Ų65.149%0.48535%0.347SS..SBendtrans-95.6144.4-179.351.10000110.3T115 T119T115-T117 PolarHBondContact O-N 2.75Å; T115-T117 PolarHBondContact OG1-OG1 3.48Å; T117-T119 PolarHBondContact O-N 2.92Å; T117-T119 PolarHBondContact OG1-O 3.45Å
118E67.2Low77.1Confident186 Ų18664.8 Ų64.887%0.86935%0.349SS*.SBendtrans-60.8-15.7176.6-65.8178.3172.700113.5
119T75.9Confident76.8Confident21 Ų2165.8 Ų65.813%0.12935%0.348CS..SBendtrans-108.7144.9176.953.80000112N87 I88 T117 Y147N87-T119 WeakPolarHBondContact CA-OG1 3.3Å; N87-T119 WeakPolarHBondContact OD1-CG2 3.41Å; I88-T119 CarbonylContact O-C 3.53Å; I88-T119 WeakPolarHBondContact O-CA 3.46Å; I88-T119 WeakPolarHBondContact O-CB 3.44Å; T117-T119 PolarHBondContact O-N 2.92Å; T117-T119 PolarHBondContact OG1-O 3.45Å; T119-Y147 HydrophobicContact CG2-CD1 3.67Å; T119-Y147 HydrophobicContact CG2-CE1 3.45Å; T119-Y147 VanDerWaalsContact CG2-CE1 3.45Å
120A79Confident76.7Confident17 Ų1768.3 Ų68.314%0.1436%0.358CS..EExtended strand (participates in β ladder)trans-69.8148.4179.400000111.4I88I88-A120 HydrophobicContact CB-CB 4.04Å; I88-A120 WeakPolarHBondContact CB-O 3.38Å; I88-A120 HydrophobicContact CG2-CB 4.33Å; I88-A120 PolarHBondContact N-O 3.36Å; I88-A120 VanDerWaalsContact N-O 3.11Å; I88-A120 PolarHBondContact O-N 2.84Å
121V83.7Confident77Confident3 Ų370.1 Ų70.12%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-124.8132.7175.7177.80000108.5Q84 I85 R86 V113 T115Q84-V121 HydrophobicContact CG-CG1 3.75Å; I85-V121 WeakPolarHBondContact O-CA 3.37Å; R86-V121 HydrophobicContact CB-CG2 4.21Å; R86-V121 HydrophobicContact CG-CG1 3.92Å; R86-V121 HydrophobicContact CG-CG2 4.02Å; V113-V121 HydrophobicContact CB-CB 4.36Å; V113-V121 HydrophobicContact CB-CG1 4.2Å; V113-V121 HydrophobicContact CG2-CG1 4.44Å; V113-V121 PolarHBondContact N-O 2.91Å; T115-V121 HydrophobicContact CG2-CB 4.14Å; T115-V121 HydrophobicContact CG2-CG2 4.04Å; T115-V121 WeakPolarHBondContact OG1-CG2 3.44Å
122V86.6Confident77.2Confident3 Ų365.4 Ų65.42%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-130.7135.5-178178.30000109.8Q84 I85 I88 W94 L97 C110 E111 Q112 V124Q84-V122 WeakPolarHBondContact CA-O 3.46Å; I85-V122 PolarHBondContact N-O 3.3Å; I85-V122 PolarHBondContact O-N 2.9Å; I88-V122 HydrophobicContact CD1-CB 3.82Å; I88-V122 HydrophobicContact CD1-CG2 3.61Å; W94-V122 HydrophobicContact CH2-CG1 4.24Å; W94-V122 HydrophobicContact CZ3-CG1 4.1Å; W94-V122 HydrophobicContact CZ3-CG2 4.24Å; L97-V122 HydrophobicContact CD2-CB 4.23Å; L97-V122 HydrophobicContact CD2-CG1 4.22Å; L97-V122 HydrophobicContact CD2-CG2 3.76Å; C110-V122 WeakPolarHBondContact SG-CG1 3.36Å; E111-V122 CarbonylContact O-C 3.49Å; E111-V122 WeakPolarHBondContact O-CA 3.48Å; Q112-V122 HydrophobicContact CB-CG2 4.37Å; Q112-V122 HydrophobicContact CG-CG2 4.27Å; V122-V124 HydrophobicContact CG1-CG2 4.02Å
123N89Confident77.4Confident23 Ų2365.6 Ų65.612%0.12334%0.337CS..EExtended strand (participates in β ladder)trans-100.8125.5172.6-67-15.3000109.2L83 Q84 C110 E111 V113 I154L83-N123 CarbonylContact O-C 3.23Å; L83-N123 VanDerWaalsContact O-CA 3.31Å; L83-N123 WeakPolarHBondContact O-CA 3.31Å; Q84-N123 WeakPolarHBondContact CG-OD1 3.42Å; Q84-N123 PolarHBondContact NE2-OD1 2.8Å; C110-N123 CarbonylContact C-O 3.57Å; C110-N123 WeakPolarHBondContact CA-O 3.26Å; E111-N123 PolarHBondContact N-O 2.81Å; E111-N123 PolarHBondContact O-N 3.14Å; V113-N123 HydrophobicContact CG2-CB 4.25Å; V113-N123 WeakPolarHBondContact CG2-ND2 3.41Å; V113-N123 WeakPolarHBondContact CG2-OD1 3.43Å; N123-I154 HydrophobicContact CB-CD1 3.93Å; N123-I154 VanDerWaalsContact OD1-CD1 3.24Å; N123-I154 WeakPolarHBondContact OD1-CD1 3.14Å
124V87.8Confident77.7Confident0 Ų067.4 Ų67.40%035%0.345CS..EExtended strand (participates in β ladder)trans-120.7131.4-176.5-169.60000109.2K82 L83 I85 L101 V107 S109 V122 Y126K82-V124 CarbonylContact C-O 3.53Å; K82-V124 WeakPolarHBondContact CA-O 3.41Å; L83-V124 PolarHBondContact N-O 3.36Å; L83-V124 PolarHBondContact O-N 2.89Å; I85-V124 HydrophobicContact CD1-CG2 3.92Å; I85-V124 HydrophobicContact CG1-CG2 4.42Å; L101-V124 HydrophobicContact CD1-CB 4.47Å; L101-V124 HydrophobicContact CD1-CG1 4.04Å; L101-V124 HydrophobicContact CD1-CG2 3.56Å; L101-V124 HydrophobicContact CD2-CG1 4.29Å; L101-V124 HydrophobicContact CD2-CG2 3.96Å; L101-V124 HydrophobicContact CG-CG2 4.41Å; V107-V124 HydrophobicContact CG1-CG1 3.63Å; V107-V124 HydrophobicContact CG2-CG1 4.16Å; S109-V124 CarbonylContact O-C 3.57Å; S109-V124 WeakPolarHBondContact O-CA 3.4Å; V122-V124 HydrophobicContact CG1-CG2 4.02Å; V124-Y126 HydrophobicContact CB-CE2 4.44Å; V124-Y126 HydrophobicContact CG1-CD2 4.18Å; V124-Y126 HydrophobicContact CG1-CE2 3.78Å
125R86.5Confident78.7Confident97 Ų9759.6 Ų59.637%0.36630%0.303SS..EExtended strand (participates in β ladder)trans-111.5122.3171.1-171.8-178.6-176.5170.15.6109C81 K82 E108 S109C81-R125 HydrophobicContact CB-CG 4.49Å; K82-R125 HydrophobicContact CG-CB 4.33Å; E108-R125 PolarHBondContact N-O 3.36Å; E108-R125 WeakPolarHBondContact OE2-CD 3.26Å; E108-R125 IonicContact OE2-CZ 3.52Å; E108-R125 IonicContact OE2-NE 3.86Å; E108-R125 PolarHBondContact OE2-NE 2.86Å; S109-R125 PolarHBondContact N-O 2.78Å; S109-R125 PolarHBondContact O-N 2.98Å
126Y86.8Confident79.7Confident0 Ų058.5 Ų58.50%030%0.295CS..EExtended strand (participates in β ladder)trans-92.7147.4174.1-75.2-86.5000111.4C81 L83 L101 A106 V107 V124 A128 H131 A132 A135C81-Y126 WeakPolarHBondContact CB-O 3.22Å; C81-Y126 PolarHBondContact O-N 2.84Å; L83-Y126 HydrophobicContact CD1-CD2 4.2Å; L83-Y126 HydrophobicContact CD1-CE2 3.86Å; L101-Y126 WeakPolarHBondContact CA-OH 3.38Å; L101-Y126 WeakPolarHBondContact CD2-OH 3.39Å; L101-Y126 WeakPolarHBondContact O-CE1 3.47Å; L101-Y126 PolarHBondContact O-OH 2.93Å; A106-Y126 WeakPolarHBondContact O-CA 3.47Å; V107-Y126 HydrophobicContact CG2-CD1 4Å; V107-Y126 HydrophobicContact CG2-CE1 3.58Å; V124-Y126 HydrophobicContact CB-CE2 4.44Å; V124-Y126 HydrophobicContact CG1-CD2 4.18Å; V124-Y126 HydrophobicContact CG1-CE2 3.78Å; Y126-A128 VanDerWaalsContact C-N 3.27Å; Y126-A128 PolarHBondContact O-N 2.76Å; Y126-H131 HydrophobicContact CD1-CB 3.66Å; Y126-H131 HydrophobicContact CE1-CB 4.41Å; Y126-H131 HydrophobicContact CG-CB 3.99Å; Y126-A132 HydrophobicContact CD2-CB 3.95Å; Y126-A132 HydrophobicContact CG-CB 4.35Å; Y126-A135 HydrophobicContact CE1-CB 4.49Å; Y126-A135 HydrophobicContact CE2-CB 3.61Å; Y126-A135 WeakPolarHBondContact OH-CB 2.95Å
127A79.5Confident80.9Confident52 Ų5256.4 Ų56.443%0.4328%0.279SS..SBendtrans-63.3-33.1177.500000112.8A106 E108A106-A127 HydrophobicContact CB-CB 4.09Å; A106-A127 PolarHBondContact O-N 3.35Å; E108-A127 HydrophobicContact CG-CB 3.77Å
128A78.4Confident82Confident35 Ų3558.6 Ų58.629%0.28928%0.282SS..SBendtrans-121.7144.1178.100000111.7Y126 D130 H131 A132Y126-A128 VanDerWaalsContact C-N 3.27Å; Y126-A128 PolarHBondContact O-N 2.76Å; A128-D130 VanDerWaalsContact C-N 3.27Å; A128-D130 PolarHBondContact O-N 2.86Å; A128-H131 WeakPolarHBondContact O-CB 3.39Å; A128-H131 PolarHBondContact O-N 2.77Å; A128-A132 PolarHBondContact O-N 2.92Å
129R75.1Confident82.8Confident135 Ų13550 Ų5051%0.50924%0.242SC..Hα-helixtrans-62.5-34.1178.8-68.4173.7-177.7171.5-2.5112.6C81 H131 A132 R133C81-R129 WeakPolarHBondContact SG-CG 3.46Å; R129-H131 VanDerWaalsContact C-N 3.33Å; R129-A132 PolarHBondContact O-N 3.37Å; R129-R133 PolarHBondContact O-N 3.22Å
130D76.9Confident83.3Confident97 Ų9752.9 Ų52.952%0.51926%0.257SS..Hα-helixtrans-67.5-34.1177.1-78.3-53.3000112.6A128 R133 L134A128-D130 VanDerWaalsContact C-N 3.27Å; A128-D130 PolarHBondContact O-N 2.86Å; D130-R133 PolarHBondContact O-N 3.12Å; D130-R133 IonicContact OD1-CZ 3.22Å; D130-R133 IonicContact OD1-NE 3.67Å; D130-R133 PolarHBondContact OD1-NE 3.49Å; D130-R133 IonicContact OD1-NH2 3.73Å; D130-R133 PolarHBondContact OD1-NH2 2.98Å; D130-L134 WeakPolarHBondContact O-CB 3.38Å; D130-L134 PolarHBondContact O-N 3.03Å
131H87.1Confident83.2Confident65 Ų6554.5 Ų54.530%0.30128%0.275SS..Hα-helixtrans-65.5-44.7174.5-57.5166000111.1Y104 A106 Y126 A128 R129 R133 L134 A135Y104-H131 WeakPolarHBondContact O-CA 3.33Å; Y104-H131 VanDerWaalsContact O-CB 3.3Å; Y104-H131 WeakPolarHBondContact O-CB 3.24Å; A106-H131 PolarHBondContact N-ND1 3.19Å; Y126-H131 HydrophobicContact CD1-CB 3.66Å; Y126-H131 HydrophobicContact CE1-CB 4.41Å; Y126-H131 HydrophobicContact CG-CB 3.99Å; A128-H131 WeakPolarHBondContact O-CB 3.39Å; A128-H131 PolarHBondContact O-N 2.77Å; R129-H131 VanDerWaalsContact C-N 3.33Å; H131-R133 VanDerWaalsContact C-N 3.3Å; H131-R133 PolarHBondContact O-N 2.91Å; H131-L134 PolarHBondContact O-N 3.4Å; H131-A135 VanDerWaalsContact O-CB 3.29Å; H131-A135 WeakPolarHBondContact O-CB 3.36Å; H131-A135 PolarHBondContact O-N 3.21Å
132A82.1Confident83.1Confident0 Ų055.9 Ų55.90%029%0.285CS..Hα-helixtrans-62.2-35.9174.900000112.7L83 Y126 A128 R129 M136 Y153L83-A132 HydrophobicContact CD1-CB 4.33Å; L83-A132 WeakPolarHBondContact CD1-O 3.46Å; L83-A132 HydrophobicContact CD2-CB 4.39Å; L83-A132 HydrophobicContact CG-CB 4.21Å; Y126-A132 HydrophobicContact CD2-CB 3.95Å; Y126-A132 HydrophobicContact CG-CB 4.35Å; A128-A132 PolarHBondContact O-N 2.92Å; R129-A132 PolarHBondContact O-N 3.37Å; A132-M136 VanDerWaalsContact O-CB 3.28Å; A132-M136 WeakPolarHBondContact O-CB 3.48Å; A132-M136 PolarHBondContact O-N 3.24Å; A132-Y153 HydrophobicContact CB-CE1 4.44Å
133R82.9Confident82.6Confident128 Ų12863.2 Ų63.248%0.48332%0.321SS..Hα-helixtrans-66.8-46174.6179.917761.8113.6-6.5112.3R129 D130 H131 M136 E137 Y153R129-R133 PolarHBondContact O-N 3.22Å; D130-R133 PolarHBondContact O-N 3.12Å; D130-R133 IonicContact OD1-CZ 3.22Å; D130-R133 IonicContact OD1-NE 3.67Å; D130-R133 PolarHBondContact OD1-NE 3.49Å; D130-R133 IonicContact OD1-NH2 3.73Å; D130-R133 PolarHBondContact OD1-NH2 2.98Å; H131-R133 VanDerWaalsContact C-N 3.3Å; H131-R133 PolarHBondContact O-N 2.91Å; R133-M136 PolarHBondContact O-N 2.75Å; R133-E137 PolarHBondContact O-N 3.21Å; R133-E137 VanDerWaalsContact O-N 3.11Å; R133-Y153 WeakPolarHBondContact CA-OH 3.38Å
134L83.6Confident81.7Confident80 Ų8063.7 Ų63.742%0.41932%0.323SS..Hα-helixtrans-64-45.7179-169.772.9000111.1Y104 D130 H131 M136 E137 K138Y104-L134 HydrophobicContact CD1-CD2 4.29Å; Y104-L134 HydrophobicContact CD1-CG 4.29Å; D130-L134 WeakPolarHBondContact O-CB 3.38Å; D130-L134 PolarHBondContact O-N 3.03Å; H131-L134 PolarHBondContact O-N 3.4Å; L134-M136 PolarHBondContact O-N 2.77Å; L134-E137 PolarHBondContact O-N 2.8Å; L134-K138 WeakPolarHBondContact O-CG 3.46Å; L134-K138 PolarHBondContact O-N 2.95Å; L134-K138 VanDerWaalsContact O-N 3.1Å
135A84.2Confident80.5Confident0 Ų069.7 Ų69.70%035%0.351CS..Hα-helixtrans-59.1-4517600000111.6L83 Y104 Y126 H131 E137 K138 L139L83-A135 HydrophobicContact CD1-CB 3.89Å; Y104-A135 HydrophobicContact CD2-CB 4.3Å; Y104-A135 HydrophobicContact CG-CB 4.14Å; Y126-A135 HydrophobicContact CE1-CB 4.49Å; Y126-A135 HydrophobicContact CE2-CB 3.61Å; Y126-A135 WeakPolarHBondContact OH-CB 2.95Å; H131-A135 VanDerWaalsContact O-CB 3.29Å; H131-A135 WeakPolarHBondContact O-CB 3.36Å; H131-A135 PolarHBondContact O-N 3.21Å; A135-E137 PolarHBondContact O-N 3.44Å; A135-K138 PolarHBondContact O-N 3.01Å; A135-L139 HydrophobicContact CB-CD1 4.16Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 WeakPolarHBondContact O-CG 3.44Å; A135-L139 PolarHBondContact O-N 2.82Å
136M84.1Confident80Confident24 Ų2472.6 Ų72.612%0.11837%0.374CS..Hα-helixtrans-58.3-47.1175.8171.367.486.800112.6L83 A132 R133 L134 K138 N140 V151 Y153L83-M136 HydrophobicContact CD1-CB 4.43Å; L83-M136 HydrophobicContact CD2-CB 4.38Å; L83-M136 HydrophobicContact CD2-CE 3.92Å; A132-M136 VanDerWaalsContact O-CB 3.28Å; A132-M136 WeakPolarHBondContact O-CB 3.48Å; A132-M136 PolarHBondContact O-N 3.24Å; R133-M136 PolarHBondContact O-N 2.75Å; L134-M136 PolarHBondContact O-N 2.77Å; M136-K138 VanDerWaalsContact C-N 3.31Å; M136-K138 PolarHBondContact O-N 2.72Å; M136-N140 WeakPolarHBondContact O-CB 3.45Å; M136-N140 PolarHBondContact O-N 2.79Å; M136-N140 VanDerWaalsContact O-N 3.17Å; M136-N140 HydrophobicContact SD-CB 4.19Å; M136-V151 HydrophobicContact CE-CG1 4.09Å; M136-V151 HydrophobicContact SD-CB 3.74Å; M136-V151 HydrophobicContact SD-CG1 3.75Å; M136-Y153 HydrophobicContact CB-CE2 4.43Å; M136-Y153 HydrophobicContact CE-CD2 3.29Å; M136-Y153 HydrophobicContact CE-CE2 3.39Å; M136-Y153 HydrophobicContact CE-CG 3.9Å; M136-Y153 HydrophobicContact CG-CE2 4Å
137E81.6Confident79.7Confident139 Ų13976.2 Ų76.265%0.6539%0.388SS*.Hα-helixtrans-68.7-32.3-175.9-170.4173.2173.200112.5R133 L134 A135R133-E137 PolarHBondContact O-N 3.21Å; R133-E137 VanDerWaalsContact O-N 3.11Å; L134-E137 PolarHBondContact O-N 2.8Å; A135-E137 PolarHBondContact O-N 3.44Å
138K83.6Confident79.9Confident126 Ų12675.9 Ų75.955%0.54839%0.385SS..Hα-helixtrans-92.5-33.9-176.4-65.4-63.3-173.9-179.80114.1Y104 L134 A135 M136Y104-K138 HydrophobicContact CD1-CB 4.25Å; Y104-K138 HydrophobicContact CD1-CG 4.43Å; Y104-K138 HydrophobicContact CE1-CB 3.59Å; Y104-K138 HydrophobicContact CE1-CG 3.95Å; L134-K138 WeakPolarHBondContact O-CG 3.46Å; L134-K138 PolarHBondContact O-N 2.95Å; L134-K138 VanDerWaalsContact O-N 3.1Å; A135-K138 PolarHBondContact O-N 3.01Å; M136-K138 VanDerWaalsContact C-N 3.31Å; M136-K138 PolarHBondContact O-N 2.72Å
139L84.3Confident80.2Confident4 Ų474.4 Ų74.42%0.02137%0.372CS..Hα-helixtrans-89.3-24.2-178.5-65.8171.4000113I85 M100 L101 Y104 A135 G141 S142 L149 V151I85-L139 HydrophobicContact CD1-CD1 4.16Å; M100-L139 HydrophobicContact CE-CD2 3.89Å; L101-L139 HydrophobicContact CD2-CD1 3.83Å; Y104-L139 HydrophobicContact CD2-CD1 4.02Å; Y104-L139 HydrophobicContact CD2-CD2 4.49Å; Y104-L139 HydrophobicContact CD2-CG 4.18Å; Y104-L139 HydrophobicContact CE2-CD1 3.99Å; Y104-L139 HydrophobicContact CE2-CD2 3.64Å; Y104-L139 HydrophobicContact CE2-CG 3.71Å; A135-L139 HydrophobicContact CB-CD1 4.16Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 WeakPolarHBondContact O-CG 3.44Å; A135-L139 PolarHBondContact O-N 2.82Å; L139-G141 PolarHBondContact O-N 3.37Å; L139-S142 PolarHBondContact O-N 3.46Å; L139-S142 PolarHBondContact O-OG 3.01Å; L139-L149 HydrophobicContact CD2-CD1 4.45Å; L139-L149 WeakPolarHBondContact O-CB 3.37Å; L139-V151 HydrophobicContact CB-CG2 3.76Å
140N85.9Confident80.5Confident82 Ų8274.4 Ų74.444%0.43938%0.376SS..THydrogen-bonded Turntrans-74.5114.5-179.2-168.435.2000111.2M136 V151M136-N140 WeakPolarHBondContact O-CB 3.45Å; M136-N140 PolarHBondContact O-N 2.79Å; M136-N140 VanDerWaalsContact O-N 3.17Å; M136-N140 HydrophobicContact SD-CB 4.19Å; N140-V151 HydrophobicContact CB-CB 4.03Å; N140-V151 HydrophobicContact CB-CG2 4.26Å; N140-V151 PolarHBondContact OD1-N 2.92Å
141G78.6Confident81Confident51 Ų5170.1 Ų70.153%0.52635%0.353SS..THydrogen-bonded Turntrans86.55.1-176.900000114.3L139 M143 L149L139-G141 PolarHBondContact O-N 3.37Å; G141-M143 PolarHBondContact O-N 3.03Å; G141-L149 WeakPolarHBondContact CA-O 3.49Å; G141-L149 PolarHBondContact N-O 3.22Å
142S80.4Confident80.8Confident32 Ų3269 Ų6922%0.22435%0.352CS..  trans-67.1130.9171.564.60000109.6L139 A148 L149L139-S142 PolarHBondContact O-N 3.46Å; L139-S142 PolarHBondContact O-OG 3.01Å; S142-A148 WeakPolarHBondContact O-CA 3.46Å; S142-L149 PolarHBondContact O-N 3.41Å
143M75.4Confident80.9Confident157 Ų15771.6 Ų71.677%0.77336%0.363SS*.EExtended strand (participates in β ladder)trans-87.2129.8176.2-70.2-152.5-154.800110.1G141 Y147G141-M143 PolarHBondContact O-N 3.03Å; M143-Y147 WeakPolarHBondContact CA-O 3.5Å
144M70.4Confident80.7Confident33 Ų3367.3 Ų67.316%0.16335%0.349CS..EExtended strand (participates in β ladder)trans-133.1120.2169.9-72.3-162.2-64.100109.7M92 M100 N146 Y147 L149M92-M144 HydrophobicContact CE-CE 3.56Å; M92-M144 HydrophobicContact CE-SD 3.86Å; M92-M144 HydrophobicContact SD-CE 4.21Å; M100-M144 HydrophobicContact CE-CE 3.96Å; M100-M144 HydrophobicContact CE-SD 3.55Å; M100-M144 VanDerWaalsContact CE-SD 3.55Å; M100-M144 HydrophobicContact SD-CE 4.04Å; M100-M144 HydrophobicContact SD-SD 3.52Å; M144-N146 PolarHBondContact O-N 2.89Å; M144-Y147 PolarHBondContact N-O 3.29Å; M144-Y147 WeakPolarHBondContact O-CA 3.44Å; M144-Y147 WeakPolarHBondContact O-CB 3.47Å; M144-Y147 PolarHBondContact O-N 2.94Å; M144-L149 HydrophobicContact CE-CD1 3.53Å; M144-L149 HydrophobicContact CE-CD2 3.92Å; M144-L149 HydrophobicContact CE-CG 3.81Å
145E64.1Low79.9Confident126 Ų12668.8 Ų68.859%0.58936%0.363SS*.THydrogen-bonded Turntrans48.739.5175-57.9-178.9179.700112.9H91 Y147H91-E145 IonicContact CD2-OE2 3.78Å; H91-E145 IonicContact CE1-OE2 2.71Å; H91-E145 IonicContact NE2-OE2 2.59Å; H91-E145 PolarHBondContact NE2-OE2 3.04Å; E145-Y147 WeakPolarHBondContact O-CD2 3.38Å
146N75.6Confident78.6Confident158 Ų15871 Ų7185%0.84538%0.376SS*.THydrogen-bonded Turntrans78.14.2-177.1-47-48.2000116.9M144M144-N146 PolarHBondContact O-N 2.89Å
147Y79.2Confident76.9Confident77 Ų7779.3 Ų79.330%0.30241%0.414SS..EExtended strand (participates in β ladder)trans-101.5119.3172.5-62.9-91.4000110.8N87 P89 T119 M143 M144 E145 L149N87-Y147 WeakPolarHBondContact O-CB 3.35Å; P89-Y147 HydrophobicContact CB-CD2 4.05Å; P89-Y147 HydrophobicContact CB-CE2 4.19Å; P89-Y147 HydrophobicContact CG-CD2 3.69Å; P89-Y147 HydrophobicContact CG-CE2 4.33Å; P89-Y147 HydrophobicContact CG-CG 4.1Å; T119-Y147 HydrophobicContact CG2-CD1 3.67Å; T119-Y147 HydrophobicContact CG2-CE1 3.45Å; T119-Y147 VanDerWaalsContact CG2-CE1 3.45Å; M143-Y147 WeakPolarHBondContact CA-O 3.5Å; M144-Y147 PolarHBondContact N-O 3.29Å; M144-Y147 WeakPolarHBondContact O-CA 3.44Å; M144-Y147 WeakPolarHBondContact O-CB 3.47Å; M144-Y147 PolarHBondContact O-N 2.94Å; E145-Y147 WeakPolarHBondContact O-CD2 3.38Å; Y147-L149 PolarHBondContact O-N 3.26Å
148A83.6Confident75Confident45 Ų4578.6 Ų78.637%0.37242%0.419SS..EExtended strand (participates in β ladder)trans-81.7112.3170.300000109.4N87 S142N87-A148 WeakPolarHBondContact CB-O 3.46Å; N87-A148 PolarHBondContact ND2-N 2.88Å; N87-A148 PolarHBondContact ND2-O 3.38Å; S142-A148 WeakPolarHBondContact O-CA 3.46Å
149L84.8Confident72.8Confident3 Ų376.4 Ų76.42%0.01642%0.424CS..  trans-61.2139.4177-70-169.2000110.5I85 I88 L139 G141 S142 M144 Y147I85-L149 HydrophobicContact CG2-CD1 4.18Å; I85-L149 HydrophobicContact CG2-CD2 4.19Å; I88-L149 HydrophobicContact CB-CD2 4.45Å; I88-L149 HydrophobicContact CG1-CD2 3.79Å; L139-L149 HydrophobicContact CD2-CD1 4.45Å; L139-L149 WeakPolarHBondContact O-CB 3.37Å; G141-L149 WeakPolarHBondContact CA-O 3.49Å; G141-L149 PolarHBondContact N-O 3.22Å; S142-L149 PolarHBondContact O-N 3.41Å; M144-L149 HydrophobicContact CE-CD1 3.53Å; M144-L149 HydrophobicContact CE-CD2 3.92Å; M144-L149 HydrophobicContact CE-CG 3.81Å; Y147-L149 PolarHBondContact O-N 3.26Å
150K82.8Confident70.2Confident135 Ų13580.7 Ų80.759%0.58746%0.461SS*.EExtended strand (participates in β ladder)trans-120112.5176.2-173.1175.4-177.5176.90110R86R86-K150 HydrophobicContact CB-CB 4.43Å; R86-K150 PolarHBondContact N-O 3.17Å; R86-K150 PolarHBondContact O-N 2.81Å
151V86.2Confident67.9Low7 Ų783 Ų834%0.04248%0.48CS..EExtended strand (participates in β ladder)trans-105.9133.8-177.4-168.60000110.3L83 Q84 I85 M136 L139 N140L83-V151 HydrophobicContact CB-CG1 4.05Å; L83-V151 HydrophobicContact CD1-CG1 4Å; L83-V151 HydrophobicContact CD2-CG1 4.39Å; L83-V151 HydrophobicContact CG-CG1 4.39Å; Q84-V151 CarbonylContact O-C 3.31Å; Q84-V151 VanDerWaalsContact O-CA 3.32Å; Q84-V151 WeakPolarHBondContact O-CA 3.39Å; I85-V151 HydrophobicContact CB-CG2 4.45Å; I85-V151 HydrophobicContact CG1-CG1 4.06Å; I85-V151 HydrophobicContact CG1-CG2 3.97Å; I85-V151 HydrophobicContact CG2-CG2 4.19Å; M136-V151 HydrophobicContact CE-CG1 4.09Å; M136-V151 HydrophobicContact SD-CB 3.74Å; M136-V151 HydrophobicContact SD-CG1 3.75Å; L139-V151 HydrophobicContact CB-CG2 3.76Å; N140-V151 HydrophobicContact CB-CB 4.03Å; N140-V151 HydrophobicContact CB-CG2 4.26Å; N140-V151 PolarHBondContact OD1-N 2.92Å
152S84.1Confident65.7Low41 Ų4190 Ų9029%0.28750%0.499SS..EExtended strand (participates in β ladder)trans-136.9147.7-18056.10000110.6L83 Q84L83-S152 CarbonylContact C-O 3.58Å; L83-S152 WeakPolarHBondContact CA-O 3.49Å; Q84-S152 PolarHBondContact N-O 2.91Å; Q84-S152 PolarHBondContact O-N 3.23Å; Q84-S152 PolarHBondContact O-OG 3.44Å
153Y82.7Confident63.5Low55 Ų5591.5 Ų91.522%0.21652%0.52CS..EExtended strand (participates in β ladder)trans-76.4136.2174.8-77-79.1000109.5R79 S80 L83 A132 R133 M136R79-Y153 HydrophobicContact CB-CD1 4.17Å; R79-Y153 HydrophobicContact CB-CD2 4.47Å; R79-Y153 HydrophobicContact CB-CE1 3.78Å; R79-Y153 HydrophobicContact CB-CE2 4.12Å; R79-Y153 HydrophobicContact CG-CE2 4.23Å; S80-Y153 WeakPolarHBondContact O-CD1 3.35Å; S80-Y153 VanDerWaalsContact O-CE1 3.24Å; S80-Y153 WeakPolarHBondContact O-CE1 3.44Å; S80-Y153 WeakPolarHBondContact OG-CD1 3.36Å; L83-Y153 HydrophobicContact CD2-CD1 3.4Å; L83-Y153 HydrophobicContact CD2-CE1 3.42Å; L83-Y153 VanDerWaalsContact CD2-CE1 3.42Å; L83-Y153 HydrophobicContact CD2-CG 4Å; A132-Y153 HydrophobicContact CB-CE1 4.44Å; R133-Y153 WeakPolarHBondContact CA-OH 3.38Å; M136-Y153 HydrophobicContact CB-CE2 4.43Å; M136-Y153 HydrophobicContact CE-CD2 3.29Å; M136-Y153 HydrophobicContact CE-CE2 3.39Å; M136-Y153 HydrophobicContact CE-CG 3.9Å; M136-Y153 HydrophobicContact CG-CE2 4Å
154I79.1Confident61.6Low39 Ų3990.1 Ų90.120%0.252%0.523CS..PPolyproline II helixtrans-94.7125.2167.2-62.8168.4000107.7S80 K82 Q84 N123 D156S80-I154 WeakPolarHBondContact CB-O 3.14Å; S80-I154 PolarHBondContact OG-O 3.4Å; K82-I154 HydrophobicContact CB-CB 4.23Å; K82-I154 HydrophobicContact CD-CB 4.43Å; K82-I154 HydrophobicContact CD-CD1 4.48Å; K82-I154 HydrophobicContact CD-CG2 4.38Å; K82-I154 HydrophobicContact CG-CB 4.23Å; K82-I154 HydrophobicContact CG-CD1 4.25Å; K82-I154 PolarHBondContact O-N 3.14Å; Q84-I154 HydrophobicContact CB-CD1 3.67Å; Q84-I154 HydrophobicContact CB-CG1 3.74Å; N123-I154 HydrophobicContact CB-CD1 3.93Å; N123-I154 VanDerWaalsContact OD1-CD1 3.24Å; N123-I154 WeakPolarHBondContact OD1-CD1 3.14Å; I154-D156 PolarHBondContact O-N 3.04Å
155P67Low59.9Low110 Ų11093.5 Ų93.571%0.71455%0.547SS*.PPolyproline II helixtrans-59.6127.6172.5-17.730000110.4E157P155-E157 PolarHBondContact O-N 3.48Å
156D57.1Low58.6Low48 Ų4892.8 Ų92.826%0.25756%0.556SS.*  trans-80.2112.7171.2-73.6-42.9000108.4C81 K82 I154 T158C81-D156 PolarHBondContact N-OD2 2.82Å; K82-D156 WeakPolarHBondContact CB-OD1 3.3Å; I154-D156 PolarHBondContact O-N 3.04Å; D156-T158 PolarHBondContact O-N 2.87Å
157E49.5Very low56.6Low197 Ų19789.2 Ų89.292%0.92156%0.556SS**THydrogen-bonded Turntrans-70.8-3.1178.5-84.6-173.8140.600113.9P155P155-E157 PolarHBondContact O-N 3.48Å
158T41.3Very low54.5Low125 Ų12589.1 Ų89.177%0.76758%0.579SS**THydrogen-bonded Turntrans-102.111.8-172.952.30000115.3D156D156-T158 PolarHBondContact O-N 2.87Å
159A37.4Very low52.1Low79 Ų7997.8 Ų97.865%0.65360%0.602SS**SBendtrans-101.3123.2166.500000109.3
160A29Very low49.6Very low95 Ų95108.1 Ų108.179%0.78564%0.641SS**  trans-46.3140.8-17400000113.6E162A160-E162 PolarHBondContact O-N 2.62Å
161P37.5Very low47.1Very low130 Ų130105.1 Ų105.184%0.84465%0.649SS**  trans-84.2109.9-177.931.8-30.2000110.9
162E31.9Very low44.5Very low197 Ų197114.7 Ų114.792%0.92169%0.69SS**  trans-95.4116.9150.8-79.6-166153.100109.2A160A160-E162 PolarHBondContact O-N 2.62Å
163G34.9Very low41.9Very low65 Ų65120 Ų12067%0.6772%0.715SS**SBendtrans85.5142.1158.600000117.4
164P35.5Very low39.5Very low128 Ų128122.5 Ų122.583%0.83175%0.747SS**  trans-73.4143.8-1778.82.5000112.7
165P35.7Very low37.4Very low104 Ų104132.4 Ų132.468%0.67578%0.782SS**  trans-87.1115.5-178.431.6-30.5000112.7
166S36.4Very low35.8Very low110 Ų110130.2 Ų130.277%0.76978%0.78SS**  trans-82.3135.7159.7-69.40000110.6R77R77-S166 PolarHBondContact NH2-O 3.46Å
167G34Very low34.8Very low83 Ų83134 Ų13486%0.85681%0.807SS**  trans-72127.4-167.800000114.7
168G33.8Very low34.1Very low76 Ų76130.7 Ų130.778%0.78480%0.802SS**  trans-102.6109.516900000111.1
169R33.3Very low33.7Very low226 Ų226136.1 Ų136.185%0.85381%0.809SS**PPolyproline II helixtrans-79116.2170.9-144.1175.9-171.8-179.82.3108.1
170R32.7Very low33.7Very low221 Ų221139 Ų13983%0.83482%0.82SS**PPolyproline II helixtrans-73.4137170-88.4-176.8-178.7173.62.2110
171G30.1Very low33.9Very low72 Ų72137.7 Ų137.774%0.74282%0.816SS**PPolyproline II helixtrans-70.9156.9-177.100000114.8
172F31.8Very low33.6Very low207 Ų207137.3 Ų137.391%0.90882%0.816SS**  trans-119.9144.8159.9-109.9-94.1000108.4
173N29.8Very low34.1Very low152 Ų152133.9 Ų133.981%0.81381%0.811SS**  trans-53.6139.9-163.2-61.5-22.5000116R175N173-R175 PolarHBondContact O-N 3.07Å
174A32.4Very low34.4Very low108 Ų108134.3 Ų134.389%0.89382%0.816SS**  trans-69.1113.3164.900000110.1
175R33.4Very low34.5Very low248 Ų248136.8 Ų136.894%0.93682%0.821SS**  trans-91133.8159.7-124176178.8173.6-1.1106.8N173N173-R175 PolarHBondContact O-N 3.07Å
176G34.3Very low34.5Very low64 Ų64135.4 Ų135.466%0.6683%0.826SS**  trans-59.8175.6-167.900000116.7
177P36.1Very low34.6Very low128 Ų128135.1 Ų135.183%0.83183%0.83SS**PPolyproline II helixtrans-73.3135.6-170.729.2-32.5000111.6
178P33.8Very low34.5Very low126 Ų126142.3 Ų142.382%0.81883%0.832SS**PPolyproline II helixtrans-84.9142.1173.530-24000111.3
179R34.3Very low34.7Very low240 Ų240144.1 Ų144.191%0.90683%0.83SS**PPolyproline II helixtrans-64154.3175.6-70.3177.4171.4-160.7-2.9112.2
180P37.9Very low34.9Very low139 Ų139143 Ų14390%0.90383%0.831SS**PPolyproline II helixtrans-83131.4176.932.1-30.4000111.6
181G31.3Very low35.2Very low67 Ų67139.2 Ų139.269%0.69183%0.832SS**  trans17287.7171.600000115.5
182S33.2Very low36.2Very low122 Ų122142.5 Ų142.585%0.85383%0.828SS**  trans70.4167.6148.6-45.70000119.7
183P41.1Very low37.1Very low125 Ų125136.1 Ų136.181%0.81281%0.809SS**  -121.5175.5-7532.2-14.1000113
184G42.3Very low38.9Very low75 Ų75131.5 Ų131.577%0.77379%0.785SS**  trans-64.4153.4-155.700000119
185L36.4Very low41.4Very low180 Ų180127.7 Ų127.794%0.94275%0.749SS**  trans-149.6123.9161-82.7173.5000110.3
186G35.5Very low44.1Very low74 Ų74118 Ų11876%0.76372%0.718SS**  trans69.4111.5145.300000118.6R188G186-R188 PolarHBondContact O-N 3.33Å; G186-R188 VanDerWaalsContact O-N 3.12Å
187A38.9Very low46.9Very low105 Ų105115 Ų11587%0.86869%0.686SS**PPolyproline II helixtrans-53117.8159.600000109.9
188R32Very low49.7Very low234 Ų234111.9 Ų111.988%0.88366%0.658SS**PPolyproline II helixtrans-62132172.6-137.1175-174.8-177.90.8108.4G186 K190G186-R188 PolarHBondContact O-N 3.33Å; G186-R188 VanDerWaalsContact O-N 3.12Å; R188-K190 PolarHBondContact O-N 2.97Å
189P38.5Very low52.6Low114 Ų114106.1 Ų106.174%0.7462%0.621SS**PPolyproline II helixtrans-57132.4173.4-19.229.5000109.3V191P189-V191 PolarHBondContact O-N 3.32Å
190K36.3Very low55.3Low201 Ų20195.8 Ų95.887%0.87458%0.584SS**  trans-56.1114.2170.4-73.5178.8177.3178.80107.7R188 Q192R188-K190 PolarHBondContact O-N 2.97Å; K190-Q192 VanDerWaalsContact C-N 3.34Å; K190-Q192 PolarHBondContact O-N 2.64Å
191V40Very low57.9Low142 Ų14289.2 Ų89.286%0.86154%0.541SS*.  trans-66.1100166.8179.80000105.6P189 S193P189-V191 PolarHBondContact O-N 3.32Å; V191-S193 PolarHBondContact O-N 2.87Å
192Q50.7Low60.8Low141 Ų14187.2 Ų87.266%0.65952%0.515SS*.  trans-57.1122.3167-79177.43.600106.6K190 D194K190-Q192 VanDerWaalsContact C-N 3.34Å; K190-Q192 PolarHBondContact O-N 2.64Å; Q192-D194 VanDerWaalsContact C-N 3.29Å; Q192-D194 PolarHBondContact O-N 2.9Å
193S51.3Low63.5Low74 Ų7483.8 Ų83.852%0.51749%0.49SS..  trans-65.294.6169.550.50000107.7V191 I195V191-S193 PolarHBondContact O-N 2.87Å; S193-I195 PolarHBondContact O-N 3.49Å
194D68.1Low65.7Low55 Ų5583 Ų8329%0.29448%0.475SS..PPolyproline II helixtrans-74.3120.6-175.9-140.7-27.8000109.7Q192 T248 P249 R347Q192-D194 VanDerWaalsContact C-N 3.29Å; Q192-D194 PolarHBondContact O-N 2.9Å; D194-T248 WeakPolarHBondContact OD2-CA 3.36Å; D194-P249 WeakPolarHBondContact OD2-CD 3.32Å; D194-R347 IonicContact OD1-CZ 3.56Å; D194-R347 IonicContact OD1-NH1 3.46Å; D194-R347 PolarHBondContact OD1-NH1 3.04Å; D194-R347 IonicContact OD1-NH2 2.89Å; D194-R347 PolarHBondContact OD1-NH2 3.3Å; D194-R347 IonicContact OD2-NH1 3.27Å; D194-R347 PolarHBondContact OD2-NH1 3.45Å
195I84Confident68.1Low28 Ų2879.5 Ų79.514%0.14444%0.438CS..PPolyproline II helixtrans-71.4123179.7-60.8168.6000107.5S193 M343 I346 R347 Y350S193-I195 PolarHBondContact O-N 3.49Å; I195-M343 HydrophobicContact CG2-CE 4.44Å; I195-I346 HydrophobicContact CD1-CG2 4.44Å; I195-R347 HydrophobicContact CD1-CB 4.36Å; I195-R347 HydrophobicContact CD1-CG 4.49Å; I195-Y350 HydrophobicContact CD1-CD1 3.75Å; I195-Y350 HydrophobicContact CD1-CD2 3.94Å; I195-Y350 HydrophobicContact CD1-CG 3.37Å; I195-Y350 HydrophobicContact CG1-CD1 4.08Å; I195-Y350 HydrophobicContact CG1-CD2 4.33Å; I195-Y350 HydrophobicContact CG1-CE1 4.47Å; I195-Y350 HydrophobicContact CG1-CG 4.01Å
196P90.3Very high70.7Confident43 Ų4371.2 Ų71.228%0.27940%0.395SS..PPolyproline II helixtrans-68.3142.9-17927.8-33.6000111.5T244 I245P196-T244 HydrophobicContact CB-CG2 3.69Å; P196-T244 HydrophobicContact CG-CG2 4.19Å; P196-I245 WeakPolarHBondContact CA-O 3.11Å; P196-I245 WeakPolarHBondContact CB-O 3.48Å
197L93.5Very high73.3Confident1 Ų169.9 Ų69.91%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-77.6124.9170.3170.863.7000108.8V199 T244 I245 C252 C256 I280 E339 M343L197-V199 HydrophobicContact CD1-CG2 4.08Å; L197-V199 HydrophobicContact CD2-CG2 4.1Å; L197-V199 HydrophobicContact CG-CG2 3.83Å; L197-T244 CarbonylContact O-C 3.6Å; L197-I245 HydrophobicContact CB-CB 4.32Å; L197-I245 HydrophobicContact CD2-CD1 4.09Å; L197-I245 PolarHBondContact N-O 3.48Å; L197-I245 PolarHBondContact O-N 3.41Å; L197-C252 HydrophobicContact CB-CB 4.09Å; L197-C252 HydrophobicContact CD2-CB 4.09Å; L197-C256 HydrophobicContact CD2-CB 3.79Å; L197-I280 HydrophobicContact CD1-CD1 4.5Å; L197-I280 HydrophobicContact CD1-CG1 4.39Å; L197-I280 HydrophobicContact CD1-CG2 3.97Å; L197-E339 HydrophobicContact CD1-CG 4.32Å; L197-E339 HydrophobicContact CD2-CG 4.27Å; L197-E339 WeakPolarHBondContact CD2-OE1 3.35Å; L197-M343 HydrophobicContact CB-CE 4.3Å; L197-M343 HydrophobicContact CD1-CE 4.33Å; L197-M343 HydrophobicContact CD1-CG 3.8Å; L197-M343 HydrophobicContact CD1-SD 3.7Å
198R93.5Very high75.8Confident63 Ų6365.8 Ų65.824%0.23835%0.348CS..EExtended strand (participates in β ladder)trans-112.9119.7176.5-71169.264.490.4-7.5109.3I243 T244 I280 L281 E323R198-I243 CarbonylContact C-O 3.57Å; R198-I243 WeakPolarHBondContact CA-O 3.29Å; R198-T244 HydrophobicContact CG-CG2 3.93Å; R198-T244 PolarHBondContact NH1-OG1 3.15Å; R198-I280 CarbonylContact O-C 3.52Å; R198-I280 WeakPolarHBondContact O-CA 3.37Å; R198-L281 HydrophobicContact CB-CB 3.93Å; R198-L281 PolarHBondContact O-N 3.11Å; R198-E323 IonicContact CZ-OE1 2.71Å; R198-E323 IonicContact CZ-OE2 2.75Å; R198-E323 IonicContact NE-OE1 2.65Å; R198-E323 PolarHBondContact NE-OE1 2.67Å; R198-E323 IonicContact NE-OE2 3.71Å; R198-E323 PolarHBondContact NE-OE2 3.34Å; R198-E323 IonicContact NH2-OE1 2.96Å; R198-E323 IonicContact NH2-OE2 2.68Å; R198-E323 PolarHBondContact NH2-OE2 2.89Å
199V94.6Very high78.7Confident6 Ų654.7 Ų54.74%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-117.4135.1-177.8-173.40000109.6L197 V201 P242 I243 I245 L278 K279L197-V199 HydrophobicContact CD1-CG2 4.08Å; L197-V199 HydrophobicContact CD2-CG2 4.1Å; L197-V199 HydrophobicContact CG-CG2 3.83Å; V199-V201 HydrophobicContact CG1-CG2 4.18Å; V199-P242 CarbonylContact O-C 3.54Å; V199-P242 WeakPolarHBondContact O-CA 3.45Å; V199-I243 PolarHBondContact N-O 3.48Å; V199-I243 PolarHBondContact O-N 3.19Å; V199-I245 HydrophobicContact CG2-CD1 4.47Å; V199-L278 HydrophobicContact CG1-CD1 3.74Å; V199-K279 CarbonylContact C-O 3.58Å; V199-K279 VanDerWaalsContact CA-O 3.26Å; V199-K279 WeakPolarHBondContact CA-O 3.44Å; V199-K279 VanDerWaalsContact CG1-O 3.31Å; V199-K279 WeakPolarHBondContact CG1-O 3.17Å
200L92.6Very high81.3Confident23 Ų2350.3 Ų50.312%0.1228%0.277CS..EExtended strand (participates in β ladder)trans-89126170.1-79.5173000110.1E240 P242 K279 L281 T325L200-E240 HydrophobicContact CD2-CB 4.26Å; L200-P242 HydrophobicContact CD2-CB 4.13Å; L200-K279 HydrophobicContact CB-CB 3.8Å; L200-K279 HydrophobicContact CB-CD 4.4Å; L200-K279 PolarHBondContact N-O 3.11Å; L200-L281 HydrophobicContact CD1-CD1 4.18Å; L200-L281 HydrophobicContact CD1-CD2 3.73Å; L200-L281 HydrophobicContact CD1-CG 3.92Å; L200-L281 HydrophobicContact CD2-CD1 3.81Å; L200-L281 HydrophobicContact CD2-CG 4.42Å; L200-L281 HydrophobicContact CG-CD1 3.68Å; L200-L281 HydrophobicContact CG-CD2 4.14Å; L200-L281 HydrophobicContact CG-CG 3.75Å; L200-T325 HydrophobicContact CD1-CG2 4Å
201V92.9Very high83.9Confident0 Ų041.7 Ų41.70%024%0.244CC..EExtended strand (participates in β ladder)trans-123.1132.4179.6177.30000110.1V199 T203 F205 V206 I209 E240 K241 I243 I259 M263V199-V201 HydrophobicContact CG1-CG2 4.18Å; V201-T203 PolarHBondContact O-N 3.45Å; V201-F205 HydrophobicContact CG1-CB 4.11Å; V201-V206 HydrophobicContact CB-CG2 4.46Å; V201-V206 HydrophobicContact CG1-CG2 4.12Å; V201-I209 HydrophobicContact CB-CD1 4.47Å; V201-I209 HydrophobicContact CG1-CD1 3.59Å; V201-I209 HydrophobicContact CG2-CD1 4.35Å; V201-E240 CarbonylContact O-C 3.54Å; V201-E240 WeakPolarHBondContact O-CA 3.48Å; V201-K241 PolarHBondContact N-O 3.02Å; V201-K241 PolarHBondContact O-N 3.44Å; V201-I243 HydrophobicContact CB-CD1 3.98Å; V201-I243 HydrophobicContact CB-CG1 4.44Å; V201-I243 HydrophobicContact CG2-CD1 3.58Å; V201-I243 HydrophobicContact CG2-CG1 4.12Å; V201-I259 HydrophobicContact CG2-CG2 4.43Å; V201-M263 HydrophobicContact CB-SD 4.46Å; V201-M263 HydrophobicContact CG1-CE 4.02Å; V201-M263 HydrophobicContact CG1-CG 4.41Å; V201-M263 HydrophobicContact CG1-SD 3.76Å; V201-M263 HydrophobicContact CG2-SD 3.94Å
202P91.1Very high86.3Confident25 Ų2544.1 Ų44.116%0.16224%0.243CC..EExtended strand (participates in β ladder)trans-55.7136.1173.7-24.633.2000112.1Q204 F205 A239P202-Q204 HydrophobicContact CB-CG 4.19Å; P202-Q204 PolarHBondContact O-N 3.43Å; P202-F205 HydrophobicContact CB-CD2 3.76Å; P202-F205 HydrophobicContact CB-CE2 4.08Å; P202-F205 HydrophobicContact CG-CD2 3.89Å; P202-F205 HydrophobicContact CG-CE2 4.06Å; P202-F205 PolarHBondContact O-N 3.36Å; P202-A239 WeakPolarHBondContact CA-O 3.35Å
203T89.1Confident88Confident51 Ų5146.3 Ų46.331%0.31325%0.253SS..Hα-helixtrans-55.1-30.5-174-70.70000113V201 F205 V206 A238 A239 K241V201-T203 PolarHBondContact O-N 3.45Å; T203-F205 VanDerWaalsContact C-N 3.33Å; T203-F205 PolarHBondContact O-N 3.3Å; T203-V206 PolarHBondContact O-N 3.24Å; T203-A238 PolarHBondContact OG1-O 3.35Å; T203-A239 PolarHBondContact N-O 2.6Å; T203-A239 PolarHBondContact OG1-O 2.87Å; T203-K241 WeakPolarHBondContact OG1-CE 3.34Å
204Q88.6Confident89.8Confident108 Ų10843.3 Ų43.351%0.50523%0.234SC..Hα-helixtrans-61.8-34.6177.868.8-168.820.900113.6P202P202-Q204 HydrophobicContact CB-CG 4.19Å; P202-Q204 PolarHBondContact O-N 3.43Å
205F91.4Very high91Very high1 Ų143.5 Ų43.50%0.00424%0.244CC..Hα-helixtrans-88.9-14-178.2-57-62000113.4V201 P202 T203 G207 A208 I209 M263 E266 A267 F272 I276V201-F205 HydrophobicContact CG1-CB 4.11Å; P202-F205 HydrophobicContact CB-CD2 3.76Å; P202-F205 HydrophobicContact CB-CE2 4.08Å; P202-F205 HydrophobicContact CG-CD2 3.89Å; P202-F205 HydrophobicContact CG-CE2 4.06Å; P202-F205 PolarHBondContact O-N 3.36Å; T203-F205 VanDerWaalsContact C-N 3.33Å; T203-F205 PolarHBondContact O-N 3.3Å; F205-G207 PolarHBondContact O-N 2.65Å; F205-A208 PolarHBondContact O-N 3.1Å; F205-A208 VanDerWaalsContact O-N 3.16Å; F205-I209 WeakPolarHBondContact O-CG1 3.35Å; F205-I209 PolarHBondContact O-N 2.84Å; F205-I209 VanDerWaalsContact O-N 3.16Å; F205-M263 HydrophobicContact CB-CG 3.87Å; F205-M263 HydrophobicContact CD2-CE 4.3Å; F205-M263 HydrophobicContact CG-CB 4.39Å; F205-M263 HydrophobicContact CG-CG 4.23Å; F205-E266 HydrophobicContact CD1-CB 3.93Å; F205-E266 HydrophobicContact CD1-CG 3.84Å; F205-E266 HydrophobicContact CE1-CB 4.35Å; F205-E266 HydrophobicContact CE1-CG 4.32Å; F205-A267 HydrophobicContact CE1-CB 3.99Å; F205-A267 HydrophobicContact CZ-CB 4.18Å; F205-F272 HydrophobicContact CZ-CD1 4.06Å; F205-F272 HydrophobicContact CZ-CE1 4.31Å; F205-F272 HydrophobicContact CZ-CG 4.33Å; F205-I276 HydrophobicContact CD2-CD1 4.33Å; F205-I276 HydrophobicContact CE1-CD1 4.03Å; F205-I276 HydrophobicContact CE2-CD1 3.56Å; F205-I276 HydrophobicContact CE2-CG1 4.05Å; F205-I276 HydrophobicContact CE2-CG2 4.48Å; F205-I276 HydrophobicContact CZ-CD1 3.38Å; F205-I276 HydrophobicContact CZ-CG1 4.1Å
206V91.4Very high91.4Very high6 Ų644.3 Ų44.34%0.03625%0.25CS..Hα-helixtrans-59.1-38.4-177.5173.80000111V201 T203 A208 I209 I210 I230 K241V201-V206 HydrophobicContact CB-CG2 4.46Å; V201-V206 HydrophobicContact CG1-CG2 4.12Å; T203-V206 PolarHBondContact O-N 3.24Å; V206-A208 PolarHBondContact O-N 3.04Å; V206-I209 PolarHBondContact O-N 2.78Å; V206-I210 HydrophobicContact CG1-CD1 3.68Å; V206-I210 HydrophobicContact CG1-CG1 4.43Å; V206-I210 WeakPolarHBondContact O-CD1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.14Å; V206-I210 PolarHBondContact O-N 2.8Å; V206-I210 VanDerWaalsContact O-N 3.12Å; V206-I230 HydrophobicContact CG1-CG2 4.04Å; V206-K241 HydrophobicContact CG2-CB 4.24Å; V206-K241 HydrophobicContact CG2-CD 4.29Å
207G90.4Very high91.6Very high47 Ų4743.5 Ų43.549%0.48524%0.243SC..Hα-helixtrans-57.8-46176.600000113.3F205 I210 G211F205-G207 PolarHBondContact O-N 2.65Å; G207-I210 PolarHBondContact O-N 3.12Å; G207-G211 PolarHBondContact O-N 3.12Å
208A92.1Very high91.5Very high19 Ų1952.1 Ų52.116%0.15728%0.276CS..Hα-helixtrans-66.6-39.7179.300000112.7F205 V206 I210 G211 I262 E266F205-A208 PolarHBondContact O-N 3.1Å; F205-A208 VanDerWaalsContact O-N 3.16Å; V206-A208 PolarHBondContact O-N 3.04Å; A208-I210 VanDerWaalsContact C-N 3.31Å; A208-I210 PolarHBondContact O-N 2.84Å; A208-G211 PolarHBondContact O-N 3.33Å; A208-I262 HydrophobicContact CB-CG2 4.03Å; A208-E266 HydrophobicContact CB-CB 3.99Å; A208-E266 HydrophobicContact CB-CG 3.76Å; A208-E266 WeakPolarHBondContact CB-OE2 3.41Å
209I93.3Very high91.6Very high0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-63.1-38.3177.2-65.4161.5000111.3V201 F205 V206 T216 I217 I243 I259 I262 M263V201-I209 HydrophobicContact CB-CD1 4.47Å; V201-I209 HydrophobicContact CG1-CD1 3.59Å; V201-I209 HydrophobicContact CG2-CD1 4.35Å; F205-I209 WeakPolarHBondContact O-CG1 3.35Å; F205-I209 PolarHBondContact O-N 2.84Å; F205-I209 VanDerWaalsContact O-N 3.16Å; V206-I209 PolarHBondContact O-N 2.78Å; I209-T216 WeakPolarHBondContact O-CB 3.35Å; I209-I217 PolarHBondContact O-N 3.2Å; I209-I243 HydrophobicContact CD1-CD1 4.14Å; I209-I243 HydrophobicContact CG2-CD1 4.47Å; I209-I259 HydrophobicContact CD1-CG2 3.8Å; I209-I259 HydrophobicContact CG1-CG2 4.25Å; I209-I259 HydrophobicContact CG2-CG1 4.28Å; I209-I262 HydrophobicContact CG1-CG2 4.1Å; I209-M263 HydrophobicContact CD1-CG 3.88Å; I209-M263 HydrophobicContact CD1-SD 4.11Å; I209-M263 HydrophobicContact CG1-CG 4.34Å
210I92.1Very high91.5Very high23 Ų2352.8 Ų52.812%0.11828%0.284CS..Hα-helixtrans-69.4-47.8174.9-60.4152.1000109.7V206 G207 A208 G214 T216 I217 I230 R232V206-I210 HydrophobicContact CG1-CD1 3.68Å; V206-I210 HydrophobicContact CG1-CG1 4.43Å; V206-I210 WeakPolarHBondContact O-CD1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.14Å; V206-I210 PolarHBondContact O-N 2.8Å; V206-I210 VanDerWaalsContact O-N 3.12Å; G207-I210 PolarHBondContact O-N 3.12Å; A208-I210 VanDerWaalsContact C-N 3.31Å; A208-I210 PolarHBondContact O-N 2.84Å; I210-G214 CarbonylContact O-C 3.19Å; I210-G214 WeakPolarHBondContact O-CA 3.24Å; I210-T216 PolarHBondContact O-N 3.21Å; I210-I217 HydrophobicContact CG2-CG2 4.37Å; I210-I217 PolarHBondContact O-N 3.48Å; I210-I217 VanDerWaalsContact O-N 3.14Å; I210-I230 HydrophobicContact CD1-CD1 4.31Å; I210-I230 HydrophobicContact CG1-CD1 3.57Å; I210-R232 VanDerWaalsContact CG1-NH2 3.26Å
211G90.2Very high91.5Very high19 Ų1954.1 Ų54.120%0.19629%0.293CS..  trans76.2171-173.600000113.4G207 A208 E213 G214 T216G207-G211 PolarHBondContact O-N 3.12Å; A208-G211 PolarHBondContact O-N 3.33Å; G211-E213 PolarHBondContact O-N 3.44Å; G211-G214 PolarHBondContact O-N 2.84Å; G211-G214 VanDerWaalsContact O-N 3.09Å; G211-T216 WeakPolarHBondContact CA-OG1 3.41Å
212K90.4Very high91.5Very high193 Ų19361.7 Ų61.784%0.83933%0.326SS*.G310 helixtrans-57.6125.5175.3-62.7-179-178.3179.40109.3G214 A215K212-G214 PolarHBondContact O-N 3Å; K212-A215 VanDerWaalsContact O-CB 3.28Å; K212-A215 WeakPolarHBondContact O-CB 3.23Å; K212-A215 PolarHBondContact O-N 2.98Å
213E87.8Confident91.6Very high187 Ų18766.3 Ų66.387%0.87435%0.345SS*.G310 helixtrans55.319.9-177.5-57.5177-17900115.1G211 A215G211-E213 PolarHBondContact O-N 3.44Å; E213-A215 VanDerWaalsContact C-N 3.31Å
214G88.5Confident91.6Very high11 Ų1164.4 Ų64.411%0.11333%0.333CS..G310 helixtrans76.613.5-175.400000114.5I210 G211 K212 T216 I217 R218I210-G214 CarbonylContact O-C 3.19Å; I210-G214 WeakPolarHBondContact O-CA 3.24Å; G211-G214 PolarHBondContact O-N 2.84Å; G211-G214 VanDerWaalsContact O-N 3.09Å; K212-G214 PolarHBondContact O-N 3Å; G214-T216 PolarHBondContact O-N 3.1Å; G214-I217 WeakPolarHBondContact O-CG2 3.48Å; G214-R218 WeakPolarHBondContact O-CB 3.42Å; G214-R218 WeakPolarHBondContact O-CG 3.07Å; G214-R218 PolarHBondContact O-N 3.22Å
215A92.5Very high91.7Very high60 Ų6067.2 Ų67.250%0.49635%0.346SS..Hα-helixtrans-60.2-42.2-177.100000112.8K212 E213 R218 N219K212-A215 VanDerWaalsContact O-CB 3.28Å; K212-A215 WeakPolarHBondContact O-CB 3.23Å; K212-A215 PolarHBondContact O-N 2.98Å; E213-A215 VanDerWaalsContact C-N 3.31Å; A215-R218 PolarHBondContact O-N 3.36Å; A215-N219 WeakPolarHBondContact O-CB 3.27Å; A215-N219 PolarHBondContact O-N 3.05Å
216T93.3Very high91.6Very high45 Ų4567.2 Ų67.228%0.27635%0.346SS..Hα-helixtrans-65-52.6-179-53.70000110.8I209 I210 G211 G214 R218 N219 I220 I262I209-T216 WeakPolarHBondContact O-CB 3.35Å; I210-T216 PolarHBondContact O-N 3.21Å; G211-T216 WeakPolarHBondContact CA-OG1 3.41Å; G214-T216 PolarHBondContact O-N 3.1Å; T216-R218 VanDerWaalsContact C-N 3.29Å; T216-R218 PolarHBondContact O-N 3.31Å; T216-N219 WeakPolarHBondContact O-CB 3.33Å; T216-N219 PolarHBondContact O-N 2.98Å; T216-I220 HydrophobicContact CG2-CD1 4.33Å; T216-I220 WeakPolarHBondContact O-CG1 3.08Å; T216-I220 PolarHBondContact O-N 2.96Å; T216-I262 HydrophobicContact CG2-CD1 3.5Å; T216-I262 VanDerWaalsContact CG2-CD1 3.5Å; T216-I262 HydrophobicContact CG2-CG1 4.37Å
217I93.4Very high91.6Very high26 Ų2672.7 Ų72.713%0.13337%0.37CS..Hα-helixtrans-62.5-36179.1-174.1162.3000112.5I209 I210 G214 N219 I220 T221 I228 I230I209-I217 PolarHBondContact O-N 3.2Å; I210-I217 HydrophobicContact CG2-CG2 4.37Å; I210-I217 PolarHBondContact O-N 3.48Å; I210-I217 VanDerWaalsContact O-N 3.14Å; G214-I217 WeakPolarHBondContact O-CG2 3.48Å; I217-N219 VanDerWaalsContact C-N 3.33Å; I217-I220 PolarHBondContact O-N 2.85Å; I217-T221 VanDerWaalsContact O-CB 3.32Å; I217-T221 WeakPolarHBondContact O-CB 3.2Å; I217-T221 PolarHBondContact O-N 2.9Å; I217-T221 PolarHBondContact O-OG1 2.92Å; I217-I228 HydrophobicContact CD1-CB 4.19Å; I217-I228 HydrophobicContact CD1-CG2 3.95Å; I217-I228 HydrophobicContact CG1-CB 4.39Å; I217-I228 HydrophobicContact CG1-CG2 4.5Å; I217-I230 HydrophobicContact CD1-CD1 3.54Å; I217-I230 HydrophobicContact CD1-CG1 4.01Å
218R93.1Very high91.7Very high182 Ų18271.2 Ų71.269%0.68735%0.351SS*.Hα-helixtrans-63.1-39.8173.6-76.1173.2177.8-178.91111.6G214 A215 T216 K222G214-R218 WeakPolarHBondContact O-CB 3.42Å; G214-R218 WeakPolarHBondContact O-CG 3.07Å; G214-R218 PolarHBondContact O-N 3.22Å; A215-R218 PolarHBondContact O-N 3.36Å; T216-R218 VanDerWaalsContact C-N 3.29Å; T216-R218 PolarHBondContact O-N 3.31Å; R218-K222 WeakPolarHBondContact O-CB 3.33Å; R218-K222 PolarHBondContact O-N 2.93Å
219N94.3Very high91.6Very high80 Ų8072.8 Ų72.843%0.42836%0.356SS..Hα-helixtrans-66.3-44.9176.5-171.436.6000111.7A215 T216 I217 T221 K222 Q223A215-N219 WeakPolarHBondContact O-CB 3.27Å; A215-N219 PolarHBondContact O-N 3.05Å; T216-N219 WeakPolarHBondContact O-CB 3.33Å; T216-N219 PolarHBondContact O-N 2.98Å; I217-N219 VanDerWaalsContact C-N 3.33Å; N219-T221 PolarHBondContact O-N 3.22Å; N219-K222 PolarHBondContact O-N 3.19Å; N219-Q223 PolarHBondContact ND2-NE2 2.78Å; N219-Q223 WeakPolarHBondContact O-CG 3.25Å; N219-Q223 PolarHBondContact O-N 3.34Å; N219-Q223 PolarHBondContact OD1-NE2 2.88Å
220I94Very high91.5Very high3 Ų374.2 Ų74.22%0.01536%0.363CS..Hα-helixtrans-57.8-53.1175.7-56.6167.4000109.6T216 I217 K222 Q223 T224 I228 A255 T258 I259 I262T216-I220 HydrophobicContact CG2-CD1 4.33Å; T216-I220 WeakPolarHBondContact O-CG1 3.08Å; T216-I220 PolarHBondContact O-N 2.96Å; I217-I220 PolarHBondContact O-N 2.85Å; I220-K222 PolarHBondContact O-N 3.13Å; I220-Q223 PolarHBondContact O-N 2.9Å; I220-Q223 VanDerWaalsContact O-N 3.12Å; I220-T224 HydrophobicContact CG2-CG2 4.2Å; I220-T224 WeakPolarHBondContact O-CG2 3.44Å; I220-T224 PolarHBondContact O-N 3.37Å; I220-T224 PolarHBondContact O-OG1 3.46Å; I220-I228 HydrophobicContact CB-CD1 4.12Å; I220-I228 HydrophobicContact CG2-CD1 3.55Å; I220-A255 HydrophobicContact CG2-CB 4.22Å; I220-T258 HydrophobicContact CD1-CG2 4.39Å; I220-T258 HydrophobicContact CG1-CG2 3.86Å; I220-T258 HydrophobicContact CG2-CG2 4.44Å; I220-I259 HydrophobicContact CD1-CG1 4.19Å; I220-I262 HydrophobicContact CD1-CD1 3.54Å; I220-I262 HydrophobicContact CG1-CD1 4.2Å
221T91.9Very high91Very high50 Ų5075.6 Ų75.631%0.30737%0.369SS..Hα-helixtrans-53-40.9178.2-57.30000111.7I217 N219 H225 S226I217-T221 VanDerWaalsContact O-CB 3.32Å; I217-T221 WeakPolarHBondContact O-CB 3.2Å; I217-T221 PolarHBondContact O-N 2.9Å; I217-T221 PolarHBondContact O-OG1 2.92Å; N219-T221 PolarHBondContact O-N 3.22Å; T221-H225 WeakPolarHBondContact O-CA 3.45Å; T221-H225 PolarHBondContact O-N 2.82Å; T221-H225 VanDerWaalsContact O-N 3.14Å; T221-S226 WeakPolarHBondContact CA-O 3.37Å; T221-S226 WeakPolarHBondContact CB-O 3.38Å; T221-S226 WeakPolarHBondContact CG2-O 3.44Å; T221-S226 PolarHBondContact O-N 2.83Å
222K92.8Very high90.1Very high160 Ų16080.7 Ų80.770%0.69638%0.383SS*.Hα-helixtrans-71.5-41.9179.5-173.4179179.7-177.60112.7R218 N219 I220R218-K222 WeakPolarHBondContact O-CB 3.33Å; R218-K222 PolarHBondContact O-N 2.93Å; N219-K222 PolarHBondContact O-N 3.19Å; I220-K222 PolarHBondContact O-N 3.13Å
223Q92.1Very high88.8Confident122 Ų12281.2 Ų81.257%0.5739%0.385SS*.Hα-helixtrans-73.8-37-177.7-72.1-176-0.200112.5N219 I220N219-Q223 PolarHBondContact ND2-NE2 2.78Å; N219-Q223 WeakPolarHBondContact O-CG 3.25Å; N219-Q223 PolarHBondContact O-N 3.34Å; N219-Q223 PolarHBondContact OD1-NE2 2.88Å; I220-Q223 PolarHBondContact O-N 2.9Å; I220-Q223 VanDerWaalsContact O-N 3.12Å
224T90.7Very high87.2Confident10 Ų1079.8 Ų79.86%0.06138%0.378CS..Hα-helixtrans-96.3-4.7-17569.50000113.1I220 S226 N254 A255I220-T224 HydrophobicContact CG2-CG2 4.2Å; I220-T224 WeakPolarHBondContact O-CG2 3.44Å; I220-T224 PolarHBondContact O-N 3.37Å; I220-T224 PolarHBondContact O-OG1 3.46Å; T224-S226 WeakPolarHBondContact CB-OG 3.49Å; T224-S226 PolarHBondContact O-N 3.24Å; T224-S226 PolarHBondContact O-OG 3.33Å; T224-S226 VanDerWaalsContact OG1-CB 3.22Å; T224-S226 WeakPolarHBondContact OG1-CB 3.33Å; T224-S226 PolarHBondContact OG1-N 2.84Å; T224-S226 PolarHBondContact OG1-OG 2.87Å; T224-N254 HydrophobicContact CG2-CB 4Å; T224-A255 HydrophobicContact CG2-CB 4Å
225H89.9Confident85.7Confident167 Ų16782.6 Ų82.677%0.77339%0.391SS*.THydrogen-bonded Turntrans52.332.3-170.8-58.4-62.8000112.7T221T221-H225 WeakPolarHBondContact O-CA 3.45Å; T221-H225 PolarHBondContact O-N 2.82Å; T221-H225 VanDerWaalsContact O-N 3.14Å
226S90.5Very high84.1Confident2 Ų284.2 Ų84.21%0.01440%0.404CS..  trans-105.8142.5-177.7-45.80000112T221 T224 H246 S247 G251T221-S226 WeakPolarHBondContact CA-O 3.37Å; T221-S226 WeakPolarHBondContact CB-O 3.38Å; T221-S226 WeakPolarHBondContact CG2-O 3.44Å; T221-S226 PolarHBondContact O-N 2.83Å; T224-S226 WeakPolarHBondContact CB-OG 3.49Å; T224-S226 PolarHBondContact O-N 3.24Å; T224-S226 PolarHBondContact O-OG 3.33Å; T224-S226 VanDerWaalsContact OG1-CB 3.22Å; T224-S226 WeakPolarHBondContact OG1-CB 3.33Å; T224-S226 PolarHBondContact OG1-N 2.84Å; T224-S226 PolarHBondContact OG1-OG 2.87Å; S226-H246 WeakPolarHBondContact CA-O 3.24Å; S226-S247 WeakPolarHBondContact CB-OG 3.35Å; S226-S247 VanDerWaalsContact OG-CB 3.22Å; S226-S247 WeakPolarHBondContact OG-CB 3.42Å; S226-S247 PolarHBondContact OG-OG 3.41Å; S226-G251 PolarHBondContact OG-O 3.17Å
227K90.7Very high82.5Confident121 Ų12185.9 Ų85.953%0.52643%0.43SS..EExtended strand (participates in β ladder)trans-89.8118.1166.8-178-170.6-178.3-116.50109D229 H246K227-D229 IonicContact NZ-OD1 3.44Å; K227-D229 PolarHBondContact NZ-OD1 3.2Å; K227-D229 IonicContact NZ-OD2 2.71Å; K227-D229 PolarHBondContact NZ-OD2 3.14Å; K227-H246 HydrophobicContact CB-CB 4.2Å; K227-H246 PolarHBondContact N-O 3.03Å; K227-H246 PolarHBondContact O-N 3.06Å
228I92.9Very high81.6Confident16 Ų1686.3 Ų86.38%0.08244%0.438CS..EExtended strand (participates in β ladder)trans-111.9118.5-176.3-55.1173.9000109.5I217 I220 I243 T244 I245 A255I217-I228 HydrophobicContact CD1-CB 4.19Å; I217-I228 HydrophobicContact CD1-CG2 3.95Å; I217-I228 HydrophobicContact CG1-CB 4.39Å; I217-I228 HydrophobicContact CG1-CG2 4.5Å; I220-I228 HydrophobicContact CB-CD1 4.12Å; I220-I228 HydrophobicContact CG2-CD1 3.55Å; I228-I243 HydrophobicContact CG2-CG2 3.53Å; I228-T244 WeakPolarHBondContact CA-O 3.22Å; I228-I245 HydrophobicContact CG1-CG1 4.41Å; I228-I245 HydrophobicContact CG1-CG2 4.37Å; I228-I245 HydrophobicContact CG2-CG1 4.43Å; I228-A255 HydrophobicContact CD1-CB 4.34Å
229D90.1Very high81.1Confident51 Ų5181.7 Ų81.727%0.27344%0.438SS..EExtended strand (participates in β ladder)trans-110.3121.5179.1-68.5-44.7000110.1K227 T244 H246K227-D229 IonicContact NZ-OD1 3.44Å; K227-D229 PolarHBondContact NZ-OD1 3.2Å; K227-D229 IonicContact NZ-OD2 2.71Å; K227-D229 PolarHBondContact NZ-OD2 3.14Å; D229-T244 PolarHBondContact N-O 2.99Å; D229-T244 PolarHBondContact O-N 2.83Å; D229-H246 IonicContact OD2-CD2 3.57Å; D229-H246 IonicContact OD2-NE2 3.24Å
230I89.6Confident80.7Confident30 Ų3080.3 Ų80.315%0.15443%0.429CS..EExtended strand (participates in β ladder)trans-102.2116.9177.7-58.1174.4000109.8V206 I210 I217 R232 I243V206-I230 HydrophobicContact CG1-CG2 4.04Å; I210-I230 HydrophobicContact CD1-CD1 4.31Å; I210-I230 HydrophobicContact CG1-CD1 3.57Å; I217-I230 HydrophobicContact CD1-CD1 3.54Å; I217-I230 HydrophobicContact CD1-CG1 4.01Å; I230-R232 HydrophobicContact CG2-CG 3.76Å; I230-R232 PolarHBondContact O-N 3.32Å; I230-I243 HydrophobicContact CG1-CD1 4.39Å; I230-I243 HydrophobicContact CG1-CG1 4.27Å; I230-I243 HydrophobicContact CG1-CG2 4.25Å
231H83.4Confident80.5Confident53 Ų5381.7 Ų81.725%0.24544%0.435CS..  trans-82.179.6-177.1-62.4-70.1000112.1P242 T244H231-P242 HydrophobicContact CB-CG 4Å; H231-P242 PolarHBondContact CD2-O 3.21Å; H231-P242 PolarHBondContact N-O 3.49Å; H231-T244 PolarHBondContact CD2-OG1 2.84Å; H231-T244 PolarHBondContact NE2-OG1 3.42Å
232R70.6Confident80.4Confident126 Ų12679.8 Ų79.848%0.47542%0.424SS..  trans-81.8-32.9-176.2-60.4-170.6-162.8169.315.8115.1I210 I230I210-R232 VanDerWaalsContact CG1-NH2 3.26Å; I230-R232 HydrophobicContact CG2-CG 3.76Å; I230-R232 PolarHBondContact O-N 3.32Å
233K62Low80.4Confident203 Ų20372.2 Ų72.288%0.88339%0.391SS*.SBendtrans-87.1-31.8-169.3-69.4-175.2178.8-178.20113.6N235K233-N235 VanDerWaalsContact C-N 3.28Å; K233-N235 PolarHBondContact O-N 3.28Å
234E54.4Low80.5Confident157 Ų15766.6 Ų66.673%0.73437%0.365SS*.THydrogen-bonded Turntrans-70.6-26-173.6-155.7168.2-170.900112.3
235N57.6Low80.7Confident71 Ų7166.1 Ų66.138%0.3836%0.362SS..THydrogen-bonded Turntrans-13053.8-175.9-70.2-9.2000112.7K233 G237 A238K233-N235 VanDerWaalsContact C-N 3.28Å; K233-N235 PolarHBondContact O-N 3.28Å; N235-G237 PolarHBondContact O-N 2.73Å; N235-A238 HydrophobicContact CB-CB 3.84Å; N235-A238 PolarHBondContact O-N 3.31Å
236A58.5Low80.8Confident93 Ų9361.8 Ų61.877%0.76934%0.342SS*.THydrogen-bonded Turntrans-62.5110.3175.700000110.5
237G60.2Low80.7Confident81 Ų8162.7 Ų62.784%0.83535%0.348SS*.THydrogen-bonded Turntrans104.2-3.3-179.500000115.9N235N235-G237 PolarHBondContact O-N 2.73Å
238A74.4Confident80.8Confident35 Ų3560.8 Ų60.829%0.28935%0.347SS..  trans-69.5144175.400000112.2T203 N235 E240T203-A238 PolarHBondContact OG1-O 3.35Å; N235-A238 HydrophobicContact CB-CB 3.84Å; N235-A238 PolarHBondContact O-N 3.31Å; A238-E240 WeakPolarHBondContact CB-O 3.38Å; A238-E240 PolarHBondContact O-N 3.43Å
239A81.6Confident80.6Confident84 Ų8462.5 Ų62.569%0.69436%0.359SS*.SBendtrans-64.2-28.8175.600000112.2P202 T203P202-A239 WeakPolarHBondContact CA-O 3.35Å; T203-A239 PolarHBondContact N-O 2.6Å; T203-A239 PolarHBondContact OG1-O 2.87Å
240E87.6Confident80.6Confident52 Ų5265 Ų6524%0.24337%0.373CS..EExtended strand (participates in β ladder)trans-129.4146.1179.8-51.2-167.8138.400110.5L200 V201 A238 K279L200-E240 HydrophobicContact CD2-CB 4.26Å; V201-E240 CarbonylContact O-C 3.54Å; V201-E240 WeakPolarHBondContact O-CA 3.48Å; A238-E240 WeakPolarHBondContact CB-O 3.38Å; A238-E240 PolarHBondContact O-N 3.43Å; E240-K279 IonicContact OE1-NZ 2.93Å; E240-K279 PolarHBondContact OE1-NZ 2.96Å; E240-K279 WeakPolarHBondContact OE2-CD 3.27Å; E240-K279 IonicContact OE2-NZ 3.8Å; E240-K279 PolarHBondContact OE2-NZ 2.92Å
241K88.6Confident80.7Confident32 Ų3263.9 Ų63.914%0.13937%0.368CS..EExtended strand (participates in β ladder)trans-122.1135.2179.8-68.5-176.1-178.9-179.60110.5V201 T203 V206V201-K241 PolarHBondContact N-O 3.02Å; V201-K241 PolarHBondContact O-N 3.44Å; T203-K241 WeakPolarHBondContact OG1-CE 3.34Å; V206-K241 HydrophobicContact CG2-CB 4.24Å; V206-K241 HydrophobicContact CG2-CD 4.29Å
242P90.6Very high81.1Confident10 Ų1061.6 Ų61.67%0.06536%0.358CS..EExtended strand (participates in β ladder)trans-76.613417526.4-25.9000110.8V199 L200 H231 L281V199-P242 CarbonylContact O-C 3.54Å; V199-P242 WeakPolarHBondContact O-CA 3.45Å; L200-P242 HydrophobicContact CD2-CB 4.13Å; H231-P242 HydrophobicContact CB-CG 4Å; H231-P242 PolarHBondContact CD2-O 3.21Å; H231-P242 PolarHBondContact N-O 3.49Å; P242-L281 HydrophobicContact CB-CD1 3.96Å
243I93.4Very high82.1Confident0 Ų056 Ų560%034%0.338CS..EExtended strand (participates in β ladder)trans-113.5125.4171.3-56.1-173.6000107R198 V199 V201 I209 I228 I230 I245R198-I243 CarbonylContact C-O 3.57Å; R198-I243 WeakPolarHBondContact CA-O 3.29Å; V199-I243 PolarHBondContact N-O 3.48Å; V199-I243 PolarHBondContact O-N 3.19Å; V201-I243 HydrophobicContact CB-CD1 3.98Å; V201-I243 HydrophobicContact CB-CG1 4.44Å; V201-I243 HydrophobicContact CG2-CD1 3.58Å; V201-I243 HydrophobicContact CG2-CG1 4.12Å; I209-I243 HydrophobicContact CD1-CD1 4.14Å; I209-I243 HydrophobicContact CG2-CD1 4.47Å; I228-I243 HydrophobicContact CG2-CG2 3.53Å; I230-I243 HydrophobicContact CG1-CD1 4.39Å; I230-I243 HydrophobicContact CG1-CG1 4.27Å; I230-I243 HydrophobicContact CG1-CG2 4.25Å; I243-I245 HydrophobicContact CG2-CG1 4.42Å
244T93.5Very high83.6Confident5 Ų550.4 Ų50.43%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-105.6126.8178.6-52.70000109.8P196 L197 R198 I228 D229 H231 H246P196-T244 HydrophobicContact CB-CG2 3.69Å; P196-T244 HydrophobicContact CG-CG2 4.19Å; L197-T244 CarbonylContact O-C 3.6Å; R198-T244 HydrophobicContact CG-CG2 3.93Å; R198-T244 PolarHBondContact NH1-OG1 3.15Å; I228-T244 WeakPolarHBondContact CA-O 3.22Å; D229-T244 PolarHBondContact N-O 2.99Å; D229-T244 PolarHBondContact O-N 2.83Å; H231-T244 PolarHBondContact CD2-OG1 2.84Å; H231-T244 PolarHBondContact NE2-OG1 3.42Å; T244-H246 VanDerWaalsContact CG2-NE2 3.33Å; T244-H246 WeakPolarHBondContact CG2-NE2 3.36Å
245I94.6Very high85.5Confident0 Ų043 Ų430%028%0.283CS..EExtended strand (participates in β ladder)trans-114120.7-178-54.5171.4000108.1P196 L197 V199 I228 I243 C252 A255 I259P196-I245 WeakPolarHBondContact CA-O 3.11Å; P196-I245 WeakPolarHBondContact CB-O 3.48Å; L197-I245 HydrophobicContact CB-CB 4.32Å; L197-I245 HydrophobicContact CD2-CD1 4.09Å; L197-I245 PolarHBondContact N-O 3.48Å; L197-I245 PolarHBondContact O-N 3.41Å; V199-I245 HydrophobicContact CG2-CD1 4.47Å; I228-I245 HydrophobicContact CG1-CG1 4.41Å; I228-I245 HydrophobicContact CG1-CG2 4.37Å; I228-I245 HydrophobicContact CG2-CG1 4.43Å; I243-I245 HydrophobicContact CG2-CG1 4.42Å; I245-C252 HydrophobicContact CG2-CB 4.46Å; I245-A255 HydrophobicContact CD1-CB 4.15Å; I245-A255 HydrophobicContact CG2-CB 3.94Å; I245-I259 HydrophobicContact CD1-CD1 3.81Å
246H91.1Very high87.3Confident75 Ų7539.7 Ų39.735%0.34727%0.266SS..EExtended strand (participates in β ladder)trans-111.2106.5177.4-61.7-89.7000109.6S226 K227 D229 T244S226-H246 WeakPolarHBondContact CA-O 3.24Å; K227-H246 HydrophobicContact CB-CB 4.2Å; K227-H246 PolarHBondContact N-O 3.03Å; K227-H246 PolarHBondContact O-N 3.06Å; D229-H246 IonicContact OD2-CD2 3.57Å; D229-H246 IonicContact OD2-NE2 3.24Å; T244-H246 VanDerWaalsContact CG2-NE2 3.33Å; T244-H246 WeakPolarHBondContact CG2-NE2 3.36Å
247S89.9Confident89Confident21 Ų2140 Ų4015%0.14725%0.247CC..SBendtrans-163.4-173.1169.651.90000110.8S226 G251 C252S226-S247 WeakPolarHBondContact CB-OG 3.35Å; S226-S247 VanDerWaalsContact OG-CB 3.22Å; S226-S247 WeakPolarHBondContact OG-CB 3.42Å; S226-S247 PolarHBondContact OG-OG 3.41Å; S247-G251 WeakPolarHBondContact OG-CA 3.36Å; S247-C252 PolarHBondContact OG-N 3.22Å; S247-C252 PolarHBondContact OG-SG 2.9Å
248T91.2Very high90.7Very high82 Ų8237.9 Ų37.950%0.50322%0.218SC..  trans-56.4158.8162.6560000111D194 D250 G251 C252D194-T248 WeakPolarHBondContact OD2-CA 3.36Å; T248-D250 VanDerWaalsContact C-N 3.27Å; T248-D250 PolarHBondContact O-N 3.46Å; T248-G251 PolarHBondContact O-N 3.32Å; T248-G251 PolarHBondContact OG1-N 2.79Å; T248-C252 PolarHBondContact O-N 3.04Å; T248-C252 PolarHBondContact O-SG 2.86Å
249P89Confident91.7Very high52 Ų5236.4 Ų36.434%0.33821%0.205SC..Hα-helixtrans-49.7-48.6175.7-11.38.1000112.3D194 G251 C252 S253D194-P249 WeakPolarHBondContact OD2-CD 3.32Å; P249-G251 VanDerWaalsContact C-N 3.32Å; P249-G251 PolarHBondContact O-N 3.31Å; P249-C252 WeakPolarHBondContact O-CB 3.28Å; P249-C252 PolarHBondContact O-N 3.45Å; P249-C252 VanDerWaalsContact O-N 3.1Å; P249-S253 PolarHBondContact O-N 3.31Å; P249-S253 PolarHBondContact O-OG 2.95Å
250D90.5Very high92.3Very high104 Ų10433.3 Ų33.356%0.55618%0.177SC*.Hα-helixtrans-61.6-40.5179.6-52.7-47000112.1T248 C252 N254T248-D250 VanDerWaalsContact C-N 3.27Å; T248-D250 PolarHBondContact O-N 3.46Å; D250-C252 VanDerWaalsContact C-N 3.34Å; D250-N254 WeakPolarHBondContact O-CB 3.45Å; D250-N254 PolarHBondContact O-N 3.35Å; D250-N254 PolarHBondContact O-ND2 3.36Å
251G91.4Very high92.6Very high5 Ų533.5 Ų33.55%0.05218%0.179CC..Hα-helixtrans-65.3-38.5176.100000112S226 S247 T248 P249 A255S226-G251 PolarHBondContact OG-O 3.17Å; S247-G251 WeakPolarHBondContact OG-CA 3.36Å; T248-G251 PolarHBondContact O-N 3.32Å; T248-G251 PolarHBondContact OG1-N 2.79Å; P249-G251 VanDerWaalsContact C-N 3.32Å; P249-G251 PolarHBondContact O-N 3.31Å; G251-A255 VanDerWaalsContact O-CB 3.25Å; G251-A255 WeakPolarHBondContact O-CB 3.36Å; G251-A255 PolarHBondContact O-N 2.89Å
252C91.9Very high92.8Very high5 Ų533.3 Ų33.33%0.03418%0.18CC..Hα-helixtrans-66.4-47179.6-750000110.5L197 I245 S247 T248 P249 D250 A255 C256L197-C252 HydrophobicContact CB-CB 4.09Å; L197-C252 HydrophobicContact CD2-CB 4.09Å; I245-C252 HydrophobicContact CG2-CB 4.46Å; S247-C252 PolarHBondContact OG-N 3.22Å; S247-C252 PolarHBondContact OG-SG 2.9Å; T248-C252 PolarHBondContact O-N 3.04Å; T248-C252 PolarHBondContact O-SG 2.86Å; P249-C252 WeakPolarHBondContact O-CB 3.28Å; P249-C252 PolarHBondContact O-N 3.45Å; P249-C252 VanDerWaalsContact O-N 3.1Å; D250-C252 VanDerWaalsContact C-N 3.34Å; C252-A255 PolarHBondContact O-N 3.27Å; C252-C256 VanDerWaalsContact O-CB 3.26Å; C252-C256 WeakPolarHBondContact O-CB 3.43Å; C252-C256 PolarHBondContact O-N 2.85Å
253S92.2Very high92.9Very high10 Ų1033.4 Ų33.47%0.0718%0.179CC..Hα-helixtrans-65.2-41.9178.6-60.90000112.1P249 C256 R257 E339P249-S253 PolarHBondContact O-N 3.31Å; P249-S253 PolarHBondContact O-OG 2.95Å; S253-C256 PolarHBondContact O-N 3.17Å; S253-R257 WeakPolarHBondContact O-CB 3.48Å; S253-R257 PolarHBondContact O-N 3.41Å; S253-E339 VanDerWaalsContact CA-OE2 3.27Å; S253-E339 WeakPolarHBondContact CA-OE2 3.4Å; S253-E339 VanDerWaalsContact CB-OE2 3.23Å; S253-E339 WeakPolarHBondContact CB-OE2 3.31Å; S253-E339 PolarHBondContact OG-OE2 2.91Å
254N94Very high92.8Very high85 Ų8537 Ų3746%0.45520%0.196SC..Hα-helixtrans-64.8-40.6175.2-73.7-35.7000112.6T224 D250 T258T224-N254 HydrophobicContact CG2-CB 4Å; D250-N254 WeakPolarHBondContact O-CB 3.45Å; D250-N254 PolarHBondContact O-N 3.35Å; D250-N254 PolarHBondContact O-ND2 3.36Å; N254-T258 WeakPolarHBondContact O-CB 3.41Å; N254-T258 PolarHBondContact O-N 3.05Å; N254-T258 PolarHBondContact O-OG1 2.92Å
255A94.4Very high92.8Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-65.6-43.8175.100000111.4I220 T224 I228 I245 G251 C252 T258 I259I220-A255 HydrophobicContact CG2-CB 4.22Å; T224-A255 HydrophobicContact CG2-CB 4Å; I228-A255 HydrophobicContact CD1-CB 4.34Å; I245-A255 HydrophobicContact CD1-CB 4.15Å; I245-A255 HydrophobicContact CG2-CB 3.94Å; G251-A255 VanDerWaalsContact O-CB 3.25Å; G251-A255 WeakPolarHBondContact O-CB 3.36Å; G251-A255 PolarHBondContact O-N 2.89Å; C252-A255 PolarHBondContact O-N 3.27Å; A255-T258 PolarHBondContact O-N 3.26Å; A255-I259 WeakPolarHBondContact O-CB 3.39Å; A255-I259 WeakPolarHBondContact O-CD1 3.4Å; A255-I259 VanDerWaalsContact O-CG1 3.23Å; A255-I259 WeakPolarHBondContact O-CG1 3.48Å; A255-I259 PolarHBondContact O-N 3.05Å
256C94.6Very high92.6Very high2 Ų246.7 Ų46.71%0.01424%0.239CC..Hα-helixtrans-58.7-48176.1-172.40000111.4L197 C252 S253 T258 I259 M260L197-C256 HydrophobicContact CD2-CB 3.79Å; C252-C256 VanDerWaalsContact O-CB 3.26Å; C252-C256 WeakPolarHBondContact O-CB 3.43Å; C252-C256 PolarHBondContact O-N 2.85Å; S253-C256 PolarHBondContact O-N 3.17Å; C256-T258 PolarHBondContact O-N 2.85Å; C256-I259 PolarHBondContact O-N 3.3Å; C256-M260 WeakPolarHBondContact O-CG 3.29Å; C256-M260 PolarHBondContact O-N 3.28Å
257R94.8Very high92.6Very high99 Ų9943.1 Ų43.137%0.37422%0.222SC..Hα-helixtrans-57.6-48.9175.6-176.5-179.3179.5171.86.9112S253 I259 M260 D261 I332 E333S253-R257 WeakPolarHBondContact O-CB 3.48Å; S253-R257 PolarHBondContact O-N 3.41Å; R257-I259 VanDerWaalsContact C-N 3.3Å; R257-I259 PolarHBondContact O-N 3.46Å; R257-M260 PolarHBondContact O-N 3.23Å; R257-D261 PolarHBondContact O-N 3.31Å; R257-I332 HydrophobicContact CG-CG2 4.08Å; R257-E333 IonicContact NH2-OE1 3.02Å
258T94.9Very high92.6Very high37 Ų3746.9 Ų46.923%0.22724%0.244CC..Hα-helixtrans-62.6-38.7-179.8-51.20000111.6I220 N254 A255 C256 D261 I262I220-T258 HydrophobicContact CD1-CG2 4.39Å; I220-T258 HydrophobicContact CG1-CG2 3.86Å; I220-T258 HydrophobicContact CG2-CG2 4.44Å; N254-T258 WeakPolarHBondContact O-CB 3.41Å; N254-T258 PolarHBondContact O-N 3.05Å; N254-T258 PolarHBondContact O-OG1 2.92Å; A255-T258 PolarHBondContact O-N 3.26Å; C256-T258 PolarHBondContact O-N 2.85Å; T258-D261 PolarHBondContact O-N 3.12Å; T258-I262 HydrophobicContact CG2-CD1 4.24Å; T258-I262 WeakPolarHBondContact O-CD1 3.3Å; T258-I262 WeakPolarHBondContact O-CG1 3.15Å; T258-I262 PolarHBondContact O-N 3.41Å; T258-I262 VanDerWaalsContact O-N 3.07Å
259I94.9Very high92.6Very high4 Ų448.9 Ų48.92%0.02125%0.252CS..Hα-helixtrans-63.7-45.5175-71.9164.8000110.6V201 I209 I220 I245 A255 C256 R257 D261 I262 M263V201-I259 HydrophobicContact CG2-CG2 4.43Å; I209-I259 HydrophobicContact CD1-CG2 3.8Å; I209-I259 HydrophobicContact CG1-CG2 4.25Å; I209-I259 HydrophobicContact CG2-CG1 4.28Å; I220-I259 HydrophobicContact CD1-CG1 4.19Å; I245-I259 HydrophobicContact CD1-CD1 3.81Å; A255-I259 WeakPolarHBondContact O-CB 3.39Å; A255-I259 WeakPolarHBondContact O-CD1 3.4Å; A255-I259 VanDerWaalsContact O-CG1 3.23Å; A255-I259 WeakPolarHBondContact O-CG1 3.48Å; A255-I259 PolarHBondContact O-N 3.05Å; C256-I259 PolarHBondContact O-N 3.3Å; R257-I259 VanDerWaalsContact C-N 3.3Å; R257-I259 PolarHBondContact O-N 3.46Å; I259-D261 VanDerWaalsContact C-N 3.35Å; I259-D261 PolarHBondContact O-N 3.19Å; I259-I262 PolarHBondContact O-N 2.93Å; I259-M263 HydrophobicContact CG2-CG 4.47Å; I259-M263 HydrophobicContact CG2-SD 3.74Å; I259-M263 VanDerWaalsContact O-CG 3.26Å; I259-M263 WeakPolarHBondContact O-CG 3.19Å; I259-M263 PolarHBondContact O-N 3.07Å
260M94.3Very high92.5Very high20 Ų2050.3 Ų50.310%0.09926%0.26CS..Hα-helixtrans-61-41.6175.7-71.5-170.6-7100112.2C256 R257 I262 M263 Q264 L278 I332 C335C256-M260 WeakPolarHBondContact O-CG 3.29Å; C256-M260 PolarHBondContact O-N 3.28Å; R257-M260 PolarHBondContact O-N 3.23Å; M260-I262 VanDerWaalsContact C-N 3.33Å; M260-I262 PolarHBondContact O-N 3.48Å; M260-M263 PolarHBondContact O-N 3.33Å; M260-Q264 WeakPolarHBondContact O-CB 3.38Å; M260-Q264 PolarHBondContact O-N 3.43Å; M260-L278 HydrophobicContact CE-CD2 4.26Å; M260-L278 HydrophobicContact CG-CD1 4.44Å; M260-L278 HydrophobicContact SD-CB 3.83Å; M260-L278 HydrophobicContact SD-CD1 4.02Å; M260-L278 HydrophobicContact SD-CD2 3.97Å; M260-L278 HydrophobicContact SD-CG 4.15Å; M260-I332 HydrophobicContact CB-CG2 4.23Å; M260-I332 HydrophobicContact CE-CG2 4.26Å; M260-C335 HydrophobicContact CE-CB 4.13Å; M260-C335 HydrophobicContact SD-CB 3.95Å
261D94.1Very high92.4Very high56 Ų5653.9 Ų53.930%0.29927%0.27SS..Hα-helixtrans-61.5-40.3176.3-78-32.8000112.1R257 T258 I259 Q264 K265 I332R257-D261 PolarHBondContact O-N 3.31Å; T258-D261 PolarHBondContact O-N 3.12Å; I259-D261 VanDerWaalsContact C-N 3.35Å; I259-D261 PolarHBondContact O-N 3.19Å; D261-Q264 PolarHBondContact O-N 2.82Å; D261-K265 WeakPolarHBondContact O-CG 3.35Å; D261-K265 PolarHBondContact O-N 3.33Å; D261-I332 WeakPolarHBondContact OD1-CD1 3.41Å
262I93.9Very high92.1Very high28 Ų2856.8 Ų56.814%0.14428%0.281CS..Hα-helixtrans-66.4-43.7176.1-67.9159.7000110.6A208 I209 T216 I220 T258 I259 M260 Q264 K265 E266A208-I262 HydrophobicContact CB-CG2 4.03Å; I209-I262 HydrophobicContact CG1-CG2 4.1Å; T216-I262 HydrophobicContact CG2-CD1 3.5Å; T216-I262 VanDerWaalsContact CG2-CD1 3.5Å; T216-I262 HydrophobicContact CG2-CG1 4.37Å; I220-I262 HydrophobicContact CD1-CD1 3.54Å; I220-I262 HydrophobicContact CG1-CD1 4.2Å; T258-I262 HydrophobicContact CG2-CD1 4.24Å; T258-I262 WeakPolarHBondContact O-CD1 3.3Å; T258-I262 WeakPolarHBondContact O-CG1 3.15Å; T258-I262 PolarHBondContact O-N 3.41Å; T258-I262 VanDerWaalsContact O-N 3.07Å; I259-I262 PolarHBondContact O-N 2.93Å; M260-I262 VanDerWaalsContact C-N 3.33Å; M260-I262 PolarHBondContact O-N 3.48Å; I262-Q264 VanDerWaalsContact C-N 3.3Å; I262-Q264 PolarHBondContact O-N 2.92Å; I262-K265 PolarHBondContact O-N 3.28Å; I262-E266 WeakPolarHBondContact O-CB 3.28Å; I262-E266 PolarHBondContact O-N 3.01Å
263M92.8Very high91.4Very high11 Ų1163.1 Ų63.15%0.05432%0.32CS..Hα-helixtrans-60.7-41.4176.9-69.81685500111.5V201 F205 I209 I259 M260 A267 I276V201-M263 HydrophobicContact CB-SD 4.46Å; V201-M263 HydrophobicContact CG1-CE 4.02Å; V201-M263 HydrophobicContact CG1-CG 4.41Å; V201-M263 HydrophobicContact CG1-SD 3.76Å; V201-M263 HydrophobicContact CG2-SD 3.94Å; F205-M263 HydrophobicContact CB-CG 3.87Å; F205-M263 HydrophobicContact CD2-CE 4.3Å; F205-M263 HydrophobicContact CG-CB 4.39Å; F205-M263 HydrophobicContact CG-CG 4.23Å; I209-M263 HydrophobicContact CD1-CG 3.88Å; I209-M263 HydrophobicContact CD1-SD 4.11Å; I209-M263 HydrophobicContact CG1-CG 4.34Å; I259-M263 HydrophobicContact CG2-CG 4.47Å; I259-M263 HydrophobicContact CG2-SD 3.74Å; I259-M263 VanDerWaalsContact O-CG 3.26Å; I259-M263 WeakPolarHBondContact O-CG 3.19Å; I259-M263 PolarHBondContact O-N 3.07Å; M260-M263 PolarHBondContact O-N 3.33Å; M263-A267 WeakPolarHBondContact O-CB 3.33Å; M263-A267 PolarHBondContact O-N 3.46Å; M263-I276 HydrophobicContact CB-CD1 4.18Å; M263-I276 HydrophobicContact CE-CG2 3.39Å
264Q91.6Very high90.9Very high76 Ų7669.1 Ų69.136%0.35535%0.347SS..Hα-helixtrans-67.3-40.8178-170.563.657.100112.2M260 D261 I262 A267 V268 I332M260-Q264 WeakPolarHBondContact O-CB 3.38Å; M260-Q264 PolarHBondContact O-N 3.43Å; D261-Q264 PolarHBondContact O-N 2.82Å; I262-Q264 VanDerWaalsContact C-N 3.3Å; I262-Q264 PolarHBondContact O-N 2.92Å; Q264-A267 PolarHBondContact O-N 3.43Å; Q264-V268 WeakPolarHBondContact O-CG2 3.22Å; Q264-V268 PolarHBondContact O-N 3.11Å; Q264-V268 VanDerWaalsContact O-N 3.12Å; Q264-I332 HydrophobicContact CB-CD1 4Å; Q264-I332 HydrophobicContact CG-CD1 4.15Å
265K91.8Very high90.3Very high144 Ų14470.5 Ų70.563%0.62635%0.351SS*.Hα-helixtrans-62.8-48.3175.2-75.1172.9-177.5175.50111.6D261 I262 A267 V268 D269D261-K265 WeakPolarHBondContact O-CG 3.35Å; D261-K265 PolarHBondContact O-N 3.33Å; I262-K265 PolarHBondContact O-N 3.28Å; K265-A267 VanDerWaalsContact C-N 3.26Å; K265-A267 PolarHBondContact O-N 3.26Å; K265-V268 PolarHBondContact O-N 2.89Å; K265-V268 VanDerWaalsContact O-N 3.12Å; K265-D269 PolarHBondContact O-N 2.9Å
266E92.1Very high90Very high64 Ų6471.9 Ų71.930%0.29936%0.358SS..Hα-helixtrans-61.6-36.2178-171.769.1-165.800111.6F205 A208 I262 D269 T270F205-E266 HydrophobicContact CD1-CB 3.93Å; F205-E266 HydrophobicContact CD1-CG 3.84Å; F205-E266 HydrophobicContact CE1-CB 4.35Å; F205-E266 HydrophobicContact CE1-CG 4.32Å; A208-E266 HydrophobicContact CB-CB 3.99Å; A208-E266 HydrophobicContact CB-CG 3.76Å; A208-E266 WeakPolarHBondContact CB-OE2 3.41Å; I262-E266 WeakPolarHBondContact O-CB 3.28Å; I262-E266 PolarHBondContact O-N 3.01Å; E266-D269 PolarHBondContact O-N 3.45Å; E266-T270 HydrophobicContact CG-CG2 4.43Å; E266-T270 WeakPolarHBondContact O-CB 3.29Å; E266-T270 WeakPolarHBondContact O-CG2 3.43Å; E266-T270 PolarHBondContact O-N 2.79Å; E266-T270 PolarHBondContact O-OG1 2.78Å
267A90.3Very high89.9Confident1 Ų173.2 Ų73.21%0.00837%0.367CS..Hα-helixtrans-64.1-40.3174.300000113.2F205 M263 Q264 K265 T270 K271 F272 I276F205-A267 HydrophobicContact CE1-CB 3.99Å; F205-A267 HydrophobicContact CZ-CB 4.18Å; M263-A267 WeakPolarHBondContact O-CB 3.33Å; M263-A267 PolarHBondContact O-N 3.46Å; Q264-A267 PolarHBondContact O-N 3.43Å; K265-A267 VanDerWaalsContact C-N 3.26Å; K265-A267 PolarHBondContact O-N 3.26Å; A267-T270 PolarHBondContact O-OG1 3.5Å; A267-K271 PolarHBondContact O-N 2.94Å; A267-K271 VanDerWaalsContact O-N 3.1Å; A267-F272 HydrophobicContact CB-CB 3.94Å; A267-F272 HydrophobicContact CB-CD1 4.23Å; A267-F272 PolarHBondContact O-N 3.15Å; A267-I276 HydrophobicContact CB-CD1 3.74Å
268V90.4Very high89.9Confident99 Ų9968.8 Ų68.860%0.635%0.351SS*.Hα-helixtrans-64.1-45.3175173.20000110.5Q264 K265 T270 K271Q264-V268 WeakPolarHBondContact O-CG2 3.22Å; Q264-V268 PolarHBondContact O-N 3.11Å; Q264-V268 VanDerWaalsContact O-N 3.12Å; K265-V268 PolarHBondContact O-N 2.89Å; K265-V268 VanDerWaalsContact O-N 3.12Å; V268-T270 VanDerWaalsContact C-N 3.33Å; V268-T270 PolarHBondContact O-N 3.47Å; V268-K271 PolarHBondContact O-N 3.1Å
269D89.8Confident89.9Confident125 Ų12569.1 Ų69.167%0.66835%0.349SS*.Hα-helixtrans-65-37.6-179.1-69.4-17.5000112.2K265 E266 K271K265-D269 PolarHBondContact O-N 2.9Å; E266-D269 PolarHBondContact O-N 3.45Å; D269-K271 VanDerWaalsContact C-N 3.3Å; D269-K271 PolarHBondContact O-N 3.33Å
270T88.4Confident89.9Confident81 Ų8168.9 Ų68.950%0.49735%0.348SS..THydrogen-bonded Turntrans-85.93.2178.356.50000113.9E266 A267 V268 F272E266-T270 HydrophobicContact CG-CG2 4.43Å; E266-T270 WeakPolarHBondContact O-CB 3.29Å; E266-T270 WeakPolarHBondContact O-CG2 3.43Å; E266-T270 PolarHBondContact O-N 2.79Å; E266-T270 PolarHBondContact O-OG1 2.78Å; A267-T270 PolarHBondContact O-OG1 3.5Å; V268-T270 VanDerWaalsContact C-N 3.33Å; V268-T270 PolarHBondContact O-N 3.47Å; T270-F272 PolarHBondContact O-N 3.4Å
271K87.6Confident89.8Confident179 Ų17968.8 Ų68.878%0.77835%0.347SS*.THydrogen-bonded Turntrans54.432.8-175.1-56.6179.6-178.5177.20113.2A267 V268 D269 T273A267-K271 PolarHBondContact O-N 2.94Å; A267-K271 VanDerWaalsContact O-N 3.1Å; V268-K271 PolarHBondContact O-N 3.1Å; D269-K271 VanDerWaalsContact C-N 3.3Å; D269-K271 PolarHBondContact O-N 3.33Å; K271-T273 PolarHBondContact O-N 3.15Å
272F85.1Confident89.6Confident66 Ų6666.5 Ų66.529%0.28934%0.336SS..  trans-73.3114.3173.5-169.4-99.5000109F205 A267 T270 E274 I276F205-F272 HydrophobicContact CZ-CD1 4.06Å; F205-F272 HydrophobicContact CZ-CE1 4.31Å; F205-F272 HydrophobicContact CZ-CG 4.33Å; A267-F272 HydrophobicContact CB-CB 3.94Å; A267-F272 HydrophobicContact CB-CD1 4.23Å; A267-F272 PolarHBondContact O-N 3.15Å; T270-F272 PolarHBondContact O-N 3.4Å; F272-E274 HydrophobicContact CD1-CB 4.31Å; F272-E274 WeakPolarHBondContact CD1-O 3.31Å; F272-E274 HydrophobicContact CE1-CB 3.59Å; F272-E274 HydrophobicContact CE1-CG 4.45Å; F272-E274 WeakPolarHBondContact CE1-O 3.43Å; F272-E274 HydrophobicContact CZ-CB 3.84Å; F272-E274 HydrophobicContact CZ-CG 4.27Å; F272-I276 HydrophobicContact CD1-CG1 4.31Å; F272-I276 HydrophobicContact CE1-CG1 4.11Å
273T77.6Confident89.1Confident139 Ų13968.2 Ų68.285%0.85334%0.343SS*.  trans-90.8-9-171.150.50000114.2K271K271-T273 PolarHBondContact O-N 3.15Å
274E81.4Confident88.6Confident136 Ų13667.7 Ų67.764%0.63634%0.341SS*.SBendtrans-85.3141.2-179.2-57.3-175.4166.600111.6F272 I276F272-E274 HydrophobicContact CD1-CB 4.31Å; F272-E274 WeakPolarHBondContact CD1-O 3.31Å; F272-E274 HydrophobicContact CE1-CB 3.59Å; F272-E274 HydrophobicContact CE1-CG 4.45Å; F272-E274 WeakPolarHBondContact CE1-O 3.43Å; F272-E274 HydrophobicContact CZ-CB 3.84Å; F272-E274 HydrophobicContact CZ-CG 4.27Å; E274-I276 PolarHBondContact O-N 2.99Å
275E80.9Confident88Confident114 Ų11466.9 Ų66.953%0.53334%0.339SS..  trans-65.2126.8171.8-173.6-171.9178.200109.6P277 G330E275-P277 VanDerWaalsContact O-CD 3.26Å; E275-P277 WeakPolarHBondContact O-CD 3.45Å; E275-G330 PolarHBondContact OE1-N 3.2Å; E275-G330 VanDerWaalsContact OE1-N 3.14Å
276I88.6Confident87.8Confident28 Ų2861.5 Ų61.514%0.14432%0.316CS..  trans-88.1112.1-179.8-53.6165.9000109.1F205 M263 A267 F272 E274F205-I276 HydrophobicContact CD2-CD1 4.33Å; F205-I276 HydrophobicContact CE1-CD1 4.03Å; F205-I276 HydrophobicContact CE2-CD1 3.56Å; F205-I276 HydrophobicContact CE2-CG1 4.05Å; F205-I276 HydrophobicContact CE2-CG2 4.48Å; F205-I276 HydrophobicContact CZ-CD1 3.38Å; F205-I276 HydrophobicContact CZ-CG1 4.1Å; M263-I276 HydrophobicContact CB-CD1 4.18Å; M263-I276 HydrophobicContact CE-CG2 3.39Å; A267-I276 HydrophobicContact CB-CD1 3.74Å; F272-I276 HydrophobicContact CD1-CG1 4.31Å; F272-I276 HydrophobicContact CE1-CG1 4.11Å; E274-I276 PolarHBondContact O-N 2.99Å
277P92.4Very high87.5Confident31 Ų3158.5 Ų58.520%0.20130%0.301CS..  trans-75.3149.6177.532.2-35.3000111.2E275 K279 T327 I328 K329E275-P277 VanDerWaalsContact O-CD 3.26Å; E275-P277 WeakPolarHBondContact O-CD 3.45Å; P277-K279 HydrophobicContact CG-CG 4.42Å; P277-T327 HydrophobicContact CB-CG2 3.53Å; P277-T327 HydrophobicContact CG-CG2 3.97Å; P277-I328 WeakPolarHBondContact CA-O 3.26Å; P277-K329 HydrophobicContact CB-CG 3.91Å
278L95.1Very high87.1Confident6 Ų659 Ų593%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-76.2123.3165.7172.661.2000109.2V199 M260 I280 T327 I328 C335 E339V199-L278 HydrophobicContact CG1-CD1 3.74Å; M260-L278 HydrophobicContact CE-CD2 4.26Å; M260-L278 HydrophobicContact CG-CD1 4.44Å; M260-L278 HydrophobicContact SD-CB 3.83Å; M260-L278 HydrophobicContact SD-CD1 4.02Å; M260-L278 HydrophobicContact SD-CD2 3.97Å; M260-L278 HydrophobicContact SD-CG 4.15Å; L278-I280 HydrophobicContact CD1-CG1 4.43Å; L278-I280 HydrophobicContact CD2-CD1 4.3Å; L278-I280 HydrophobicContact CD2-CG1 4.48Å; L278-I280 HydrophobicContact CG-CG1 4.2Å; L278-T327 CarbonylContact O-C 3.21Å; L278-T327 WeakPolarHBondContact O-CA 3.41Å; L278-I328 HydrophobicContact CB-CB 4.23Å; L278-I328 HydrophobicContact CD2-CD1 4.19Å; L278-I328 PolarHBondContact N-O 3.49Å; L278-I328 PolarHBondContact O-N 2.71Å; L278-C335 HydrophobicContact CB-CB 4.37Å; L278-C335 HydrophobicContact CD2-CB 4.21Å; L278-E339 HydrophobicContact CD2-CB 3.81Å; L278-E339 HydrophobicContact CD2-CG 4.24Å
279K94.9Very high86.7Confident43 Ų4357.6 Ų57.619%0.18729%0.291CS..EExtended strand (participates in β ladder)trans-116115.8178.9-70.8179.2170.9-176.50110.8V199 L200 E240 P277 T325 I326 T327V199-K279 CarbonylContact C-O 3.58Å; V199-K279 VanDerWaalsContact CA-O 3.26Å; V199-K279 WeakPolarHBondContact CA-O 3.44Å; V199-K279 VanDerWaalsContact CG1-O 3.31Å; V199-K279 WeakPolarHBondContact CG1-O 3.17Å; L200-K279 HydrophobicContact CB-CB 3.8Å; L200-K279 HydrophobicContact CB-CD 4.4Å; L200-K279 PolarHBondContact N-O 3.11Å; E240-K279 IonicContact OE1-NZ 2.93Å; E240-K279 PolarHBondContact OE1-NZ 2.96Å; E240-K279 WeakPolarHBondContact OE2-CD 3.27Å; E240-K279 IonicContact OE2-NZ 3.8Å; E240-K279 PolarHBondContact OE2-NZ 2.92Å; P277-K279 HydrophobicContact CG-CG 4.42Å; K279-T325 HydrophobicContact CB-CG2 3.99Å; K279-T325 HydrophobicContact CD-CG2 4.29Å; K279-T325 HydrophobicContact CG-CG2 4.15Å; K279-I326 CarbonylContact C-O 3.49Å; K279-I326 WeakPolarHBondContact CA-O 3.25Å; K279-T327 HydrophobicContact CG-CG2 4.16Å
280I95.1Very high86.7Confident0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-105.5136.2179.2-56.8171.8000109.3L197 R198 L278 T325 I326 I328 E339 V342 M343L197-I280 HydrophobicContact CD1-CD1 4.5Å; L197-I280 HydrophobicContact CD1-CG1 4.39Å; L197-I280 HydrophobicContact CD1-CG2 3.97Å; R198-I280 CarbonylContact O-C 3.52Å; R198-I280 WeakPolarHBondContact O-CA 3.37Å; L278-I280 HydrophobicContact CD1-CG1 4.43Å; L278-I280 HydrophobicContact CD2-CD1 4.3Å; L278-I280 HydrophobicContact CD2-CG1 4.48Å; L278-I280 HydrophobicContact CG-CG1 4.2Å; I280-T325 CarbonylContact O-C 3.54Å; I280-T325 WeakPolarHBondContact O-CA 3.48Å; I280-I326 HydrophobicContact CB-CB 4.35Å; I280-I326 PolarHBondContact N-O 2.87Å; I280-I326 PolarHBondContact O-N 3.21Å; I280-I328 HydrophobicContact CD1-CD1 3.81Å; I280-E339 HydrophobicContact CD1-CB 4.11Å; I280-E339 HydrophobicContact CD1-CG 3.77Å; I280-V342 HydrophobicContact CD1-CG1 4.3Å; I280-M343 HydrophobicContact CG2-SD 4.25Å
281L91.3Very high86.6Confident18 Ų1849.4 Ų49.49%0.09424%0.243CC..EExtended strand (participates in β ladder)trans-96.7127.5172.3-74.4171.4000110.4R198 L200 P242 E323R198-L281 HydrophobicContact CB-CB 3.93Å; R198-L281 PolarHBondContact O-N 3.11Å; L200-L281 HydrophobicContact CD1-CD1 4.18Å; L200-L281 HydrophobicContact CD1-CD2 3.73Å; L200-L281 HydrophobicContact CD1-CG 3.92Å; L200-L281 HydrophobicContact CD2-CD1 3.81Å; L200-L281 HydrophobicContact CD2-CG 4.42Å; L200-L281 HydrophobicContact CG-CD1 3.68Å; L200-L281 HydrophobicContact CG-CD2 4.14Å; L200-L281 HydrophobicContact CG-CG 3.75Å; P242-L281 HydrophobicContact CB-CD1 3.96Å; L281-E323 HydrophobicContact CD2-CB 4.19Å
282A90.8Very high86.3Confident7 Ų742.1 Ų42.16%0.05822%0.219CC..EExtended strand (participates in β ladder)trans-143.8144176.400000111.1V287 E323 R324 I326 I346A282-V287 HydrophobicContact CB-CG2 3.64Å; A282-E323 CarbonylContact O-C 3.53Å; A282-E323 WeakPolarHBondContact O-CA 3.42Å; A282-R324 PolarHBondContact N-O 2.98Å; A282-R324 PolarHBondContact O-N 3.5Å; A282-I326 HydrophobicContact CB-CD1 3.96Å; A282-I346 HydrophobicContact CB-CD1 3.72Å
283H83.9Confident86Confident64 Ų6446 Ų4630%0.29624%0.235SC..EExtended strand (participates in β ladder)trans-60.5141.6177.1-165.5-76.5000111.4N285 F286 V287 P322H283-N285 PolarHBondContact ND1-N 3.3Å; H283-N285 PolarHBondContact O-N 2.89Å; H283-N285 VanDerWaalsContact O-N 3.11Å; H283-F286 HydrophobicContact CB-CD2 3.67Å; H283-F286 HydrophobicContact CB-CE2 3.74Å; H283-F286 PolarHBondContact O-N 3.32Å; H283-V287 PolarHBondContact O-N 3.46Å; H283-P322 WeakPolarHBondContact NE2-CB 3.26Å
284N81.6Confident86Confident0 Ų044.4 Ų44.40%022%0.218CC..Hα-helixtrans-49.8-42-176.6-17349.2000114.2F286 V287 G288 L317 P322 R324 N539 C542N284-F286 PolarHBondContact O-N 3.23Å; N284-F286 VanDerWaalsContact O-N 3.15Å; N284-V287 PolarHBondContact O-N 3.27Å; N284-V287 VanDerWaalsContact O-N 3.11Å; N284-G288 PolarHBondContact O-N 3.02Å; N284-L317 HydrophobicContact CB-CD2 3.59Å; N284-P322 PolarHBondContact N-O 2.99Å; N284-R324 WeakPolarHBondContact OD1-CD 3.24Å; N284-N539 PolarHBondContact ND2-O 3.49Å; N284-C542 PolarHBondContact ND2-SG 3.28Å
285N78.7Confident86Confident60 Ų6038.6 Ų38.632%0.32120%0.195SC..Hα-helixtrans-54.6-30.6177.3-61.82.3000114.2H283 R289H283-N285 PolarHBondContact ND1-N 3.3Å; H283-N285 PolarHBondContact O-N 2.89Å; H283-N285 VanDerWaalsContact O-N 3.11Å; N285-R289 PolarHBondContact O-NE 3.27Å; N285-R289 VanDerWaalsContact O-NE 3.14Å; N285-R289 PolarHBondContact O-NH2 2.92Å
286F87.1Confident86.2Confident31 Ų3141.4 Ų41.414%0.13620%0.201CC..Hα-helixtrans-89-38.7176.9-49.9-50.7000110.9H283 N284 G288 R289 L290 I346 Y350H283-F286 HydrophobicContact CB-CD2 3.67Å; H283-F286 HydrophobicContact CB-CE2 3.74Å; H283-F286 PolarHBondContact O-N 3.32Å; N284-F286 PolarHBondContact O-N 3.23Å; N284-F286 VanDerWaalsContact O-N 3.15Å; F286-G288 PolarHBondContact O-N 3.18Å; F286-R289 PolarHBondContact O-N 3.48Å; F286-L290 WeakPolarHBondContact O-CB 3.43Å; F286-L290 PolarHBondContact O-N 3.28Å; F286-I346 HydrophobicContact CB-CB 4.42Å; F286-I346 HydrophobicContact CB-CG1 4.15Å; F286-I346 HydrophobicContact CB-CG2 3.99Å; F286-I346 HydrophobicContact CD2-CG2 4.14Å; F286-I346 HydrophobicContact CG-CG2 4.08Å; F286-Y350 HydrophobicContact CE1-CD2 4.23Å; F286-Y350 AromaticContact CZ-CD2 3.83Å; F286-Y350 HydrophobicContact CZ-CD2 3.83Å
287V86.1Confident86.2Confident0 Ų041.9 Ų41.90%020%0.204CC..Hα-helixtrans-62.3-40.7179.1-179.50000111.9A282 H283 N284 R289 L290 I291 I311 R324 I326A282-V287 HydrophobicContact CB-CG2 3.64Å; H283-V287 PolarHBondContact O-N 3.46Å; N284-V287 PolarHBondContact O-N 3.27Å; N284-V287 VanDerWaalsContact O-N 3.11Å; V287-R289 VanDerWaalsContact C-N 3.29Å; V287-R289 PolarHBondContact O-N 3.31Å; V287-L290 WeakPolarHBondContact O-CB 3.13Å; V287-L290 PolarHBondContact O-N 3.09Å; V287-I291 HydrophobicContact CG1-CD1 4.25Å; V287-I291 VanDerWaalsContact O-CG1 3.29Å; V287-I291 WeakPolarHBondContact O-CG1 3.39Å; V287-I291 PolarHBondContact O-N 2.95Å; V287-I311 HydrophobicContact CG1-CD1 3.97Å; V287-I311 HydrophobicContact CG1-CG2 3.55Å; V287-R324 HydrophobicContact CG1-CB 4.4Å; V287-R324 HydrophobicContact CG2-CB 4.12Å; V287-I326 HydrophobicContact CG2-CD1 4.13Å; V287-I326 HydrophobicContact CG2-CG1 4.32Å
288G82.3Confident86.2Confident11 Ų1141.4 Ų41.411%0.11320%0.199CC..Hα-helixtrans-58.7-38.8176.100000113.4N284 F286 G292N284-G288 PolarHBondContact O-N 3.02Å; F286-G288 PolarHBondContact O-N 3.18Å; G288-G292 PolarHBondContact O-N 3.19Å
289R83.1Confident86Confident71 Ų7147.4 Ų47.427%0.26823%0.225SC..Hα-helixtrans-79.7-33.7177.2-76.6-178.7-73.2-178.9-5.4113.2N285 F286 V287 I291 G292 S349 D353N285-R289 PolarHBondContact O-NE 3.27Å; N285-R289 VanDerWaalsContact O-NE 3.14Å; N285-R289 PolarHBondContact O-NH2 2.92Å; F286-R289 PolarHBondContact O-N 3.48Å; V287-R289 VanDerWaalsContact C-N 3.29Å; V287-R289 PolarHBondContact O-N 3.31Å; R289-I291 VanDerWaalsContact C-N 3.29Å; R289-I291 PolarHBondContact O-N 3.16Å; R289-G292 PolarHBondContact O-N 3.34Å; R289-S349 VanDerWaalsContact CZ-CB 3.44Å; R289-S349 PolarHBondContact NH1-O 3.02Å; R289-S349 PolarHBondContact NH2-O 3.07Å; R289-D353 IonicContact CZ-OD1 2.8Å; R289-D353 IonicContact CZ-OD2 2.78Å; R289-D353 IonicContact NH1-OD1 3.88Å; R289-D353 PolarHBondContact NH1-OD1 2.9Å; R289-D353 IonicContact NH1-OD2 2.94Å; R289-D353 IonicContact NH2-OD1 2.76Å; R289-D353 PolarHBondContact NH2-OD1 3.01Å; R289-D353 VanDerWaalsContact NH2-OD1 3.09Å; R289-D353 IonicContact NH2-OD2 3.68Å; R289-D353 PolarHBondContact NH2-OD2 2.93Å
290L88.6Confident85.9Confident0 Ų051 Ų510%024%0.241CC..Hα-helixtrans-56.1-45.7170.8174.569.5000110.8F286 V287 G292 N297 I301 I326 V342 K345F286-L290 WeakPolarHBondContact O-CB 3.43Å; F286-L290 PolarHBondContact O-N 3.28Å; V287-L290 WeakPolarHBondContact O-CB 3.13Å; V287-L290 PolarHBondContact O-N 3.09Å; L290-G292 VanDerWaalsContact C-N 3.31Å; L290-G292 PolarHBondContact O-N 3.1Å; L290-N297 WeakPolarHBondContact O-CB 3.36Å; L290-N297 PolarHBondContact O-ND2 2.87Å; L290-I301 HydrophobicContact CD1-CD1 3.8Å; L290-I326 HydrophobicContact CD2-CD1 3.55Å; L290-I326 HydrophobicContact CD2-CG1 4.35Å; L290-V342 HydrophobicContact CD1-CB 4.37Å; L290-V342 HydrophobicContact CD1-CG1 4.28Å; L290-V342 HydrophobicContact CD1-CG2 4.19Å; L290-V342 HydrophobicContact CD2-CG1 3.83Å; L290-V342 HydrophobicContact CD2-CG2 4.4Å; L290-K345 HydrophobicContact CD1-CB 3.72Å; L290-K345 HydrophobicContact CD1-CG 4.07Å
291I87.4Confident85.9Confident34 Ų3451.3 Ų51.317%0.17424%0.242CC..Hα-helixtrans-57.3-47.3176.4-66164.6000110.5V287 R289 G295 N297 L298 I311V287-I291 HydrophobicContact CG1-CD1 4.25Å; V287-I291 VanDerWaalsContact O-CG1 3.29Å; V287-I291 WeakPolarHBondContact O-CG1 3.39Å; V287-I291 PolarHBondContact O-N 2.95Å; R289-I291 VanDerWaalsContact C-N 3.29Å; R289-I291 PolarHBondContact O-N 3.16Å; I291-G295 CarbonylContact O-C 3.53Å; I291-G295 VanDerWaalsContact O-C 3.23Å; I291-G295 WeakPolarHBondContact O-CA 3.26Å; I291-N297 PolarHBondContact O-N 3.25Å; I291-L298 PolarHBondContact O-N 3.46Å; I291-I311 HydrophobicContact CD1-CD1 3.69Å; I291-I311 HydrophobicContact CG1-CD1 3.35Å
292G80.9Confident86Confident25 Ų2552.7 Ų52.726%0.25825%0.248SC..  trans71.7175.2-178.300000113.2G288 R289 L290 E294 G295G288-G292 PolarHBondContact O-N 3.19Å; R289-G292 PolarHBondContact O-N 3.34Å; L290-G292 VanDerWaalsContact C-N 3.31Å; L290-G292 PolarHBondContact O-N 3.1Å; G292-E294 PolarHBondContact O-N 3.39Å; G292-G295 PolarHBondContact O-N 3.01Å
293K77.7Confident86.1Confident147 Ų14760 Ų6064%0.63928%0.281SS*.G310 helixtrans-60.6126.5-178.6-63.6178.6-179.4177.20109.9G295 R296K293-G295 PolarHBondContact O-N 3.41Å; K293-R296 VanDerWaalsContact O-CB 3.24Å; K293-R296 WeakPolarHBondContact O-CB 3.37Å; K293-R296 PolarHBondContact O-N 2.96Å
294E77.5Confident86.6Confident106 Ų10661.9 Ų61.950%0.49529%0.293SS..G310 helixtrans59.618.2-175.1-70160.717100115.3G292 R296 K532G292-E294 PolarHBondContact O-N 3.39Å; E294-R296 PolarHBondContact O-N 3.17Å; E294-K532 HydrophobicContact CG-CG 4.48Å; E294-K532 WeakPolarHBondContact OE1-CE 3.4Å; E294-K532 IonicContact OE1-NZ 2.68Å; E294-K532 PolarHBondContact OE1-NZ 3.11Å; E294-K532 WeakPolarHBondContact OE2-CE 3.48Å; E294-K532 IonicContact OE2-NZ 3.09Å; E294-K532 PolarHBondContact OE2-NZ 3.42Å
295G82.1Confident87.2Confident14 Ų1462.3 Ų62.314%0.14430%0.296CS..G310 helixtrans68.412.7-171.600000113I291 G292 K293 N297 L298 K299I291-G295 CarbonylContact O-C 3.53Å; I291-G295 VanDerWaalsContact O-C 3.23Å; I291-G295 WeakPolarHBondContact O-CA 3.26Å; G292-G295 PolarHBondContact O-N 3.01Å; K293-G295 PolarHBondContact O-N 3.41Å; G295-N297 VanDerWaalsContact C-N 3.26Å; G295-N297 PolarHBondContact O-N 2.7Å; G295-L298 PolarHBondContact O-N 3.41Å; G295-K299 WeakPolarHBondContact O-CB 3.49Å; G295-K299 VanDerWaalsContact O-CG 3.3Å; G295-K299 WeakPolarHBondContact O-CG 3.48Å; G295-K299 PolarHBondContact O-N 2.86Å
296R85.3Confident87.8Confident174 Ų17462.3 Ų62.366%0.65731%0.311SS*.Hα-helixtrans-59.1-39.5-175.1-176.9-176.2-68.4-168.8-4.1111.8K293 E294 K300K293-R296 VanDerWaalsContact O-CB 3.24Å; K293-R296 WeakPolarHBondContact O-CB 3.37Å; K293-R296 PolarHBondContact O-N 2.96Å; E294-R296 PolarHBondContact O-N 3.17Å; R296-K300 VanDerWaalsContact O-CB 3.28Å; R296-K300 WeakPolarHBondContact O-CB 3.48Å; R296-K300 PolarHBondContact O-N 3.37Å
297N88.7Confident88.2Confident38 Ų3861.4 Ų61.420%0.20331%0.308CS..Hα-helixtrans-71.1-42.9-177.8-16755.9000110.6L290 I291 G295 K300 I301 K345L290-N297 WeakPolarHBondContact O-CB 3.36Å; L290-N297 PolarHBondContact O-ND2 2.87Å; I291-N297 PolarHBondContact O-N 3.25Å; G295-N297 VanDerWaalsContact C-N 3.26Å; G295-N297 PolarHBondContact O-N 2.7Å; N297-K300 PolarHBondContact O-N 3.37Å; N297-I301 VanDerWaalsContact O-CG1 3.31Å; N297-I301 WeakPolarHBondContact O-CG1 3.29Å; N297-I301 PolarHBondContact O-N 3.28Å; N297-K345 WeakPolarHBondContact ND2-CD 3.34Å; N297-K345 WeakPolarHBondContact ND2-CE 3.43Å; N297-K345 WeakPolarHBondContact ND2-CG 3.38Å
298L91.4Very high88.6Confident21 Ų2168 Ų6811%0.1134%0.336CS..Hα-helixtrans-60.1-49.3172.3-166.171.3000112.1I291 G295 K300 I301 E302 I309 I311I291-L298 PolarHBondContact O-N 3.46Å; G295-L298 PolarHBondContact O-N 3.41Å; L298-K300 VanDerWaalsContact C-N 3.25Å; L298-K300 PolarHBondContact O-N 3.11Å; L298-I301 PolarHBondContact O-N 3.44Å; L298-I301 VanDerWaalsContact O-N 3.07Å; L298-E302 WeakPolarHBondContact O-CG 3.5Å; L298-E302 PolarHBondContact O-N 3.48Å; L298-I309 HydrophobicContact CD1-CB 4.19Å; L298-I309 HydrophobicContact CD1-CD1 4.39Å; L298-I309 HydrophobicContact CD1-CG2 3.76Å; L298-I309 HydrophobicContact CG-CG2 4.5Å; L298-I311 HydrophobicContact CD1-CD1 4.1Å; L298-I311 HydrophobicContact CD2-CD1 3.88Å
299K91.5Very high89.2Confident132 Ų13267.9 Ų67.957%0.57433%0.333SS*.Hα-helixtrans-60-35.8178.4-74.5176.3177.9178.20112.6G295 Q303G295-K299 WeakPolarHBondContact O-CB 3.49Å; G295-K299 VanDerWaalsContact O-CG 3.3Å; G295-K299 WeakPolarHBondContact O-CG 3.48Å; G295-K299 PolarHBondContact O-N 2.86Å; K299-Q303 VanDerWaalsContact O-CB 3.29Å; K299-Q303 WeakPolarHBondContact O-CB 3.41Å; K299-Q303 PolarHBondContact O-N 2.75Å
300K93.1Very high89.6Confident118 Ų11867.6 Ų67.651%0.51334%0.339SS..Hα-helixtrans-64.3-47174.3-175.2-174.6176.8-162.40110.5R296 N297 L298 E302 Q303 D304R296-K300 VanDerWaalsContact O-CB 3.28Å; R296-K300 WeakPolarHBondContact O-CB 3.48Å; R296-K300 PolarHBondContact O-N 3.37Å; N297-K300 PolarHBondContact O-N 3.37Å; L298-K300 VanDerWaalsContact C-N 3.25Å; L298-K300 PolarHBondContact O-N 3.11Å; K300-E302 VanDerWaalsContact C-N 3.35Å; K300-E302 PolarHBondContact O-N 3.1Å; K300-Q303 PolarHBondContact O-N 2.85Å; K300-D304 WeakPolarHBondContact CE-OD2 3.48Å; K300-D304 WeakPolarHBondContact CG-OD2 3.34Å; K300-D304 WeakPolarHBondContact O-CB 3.31Å; K300-D304 PolarHBondContact O-N 3.04Å
301I94.3Very high89.7Confident7 Ų769.2 Ų69.24%0.03635%0.347CS..Hα-helixtrans-62.3-43.9177.4-61.7165.8000110.4L290 N297 L298 Q303 D304 T305 I309 E341 V342L290-I301 HydrophobicContact CD1-CD1 3.8Å; N297-I301 VanDerWaalsContact O-CG1 3.31Å; N297-I301 WeakPolarHBondContact O-CG1 3.29Å; N297-I301 PolarHBondContact O-N 3.28Å; L298-I301 PolarHBondContact O-N 3.44Å; L298-I301 VanDerWaalsContact O-N 3.07Å; I301-Q303 VanDerWaalsContact C-N 3.34Å; I301-Q303 PolarHBondContact O-N 2.98Å; I301-D304 PolarHBondContact O-N 3.44Å; I301-T305 HydrophobicContact CG2-CG2 4.35Å; I301-T305 WeakPolarHBondContact O-CB 3.38Å; I301-T305 WeakPolarHBondContact O-CG2 3.03Å; I301-T305 PolarHBondContact O-N 3.29Å; I301-T305 PolarHBondContact O-OG1 3.41Å; I301-I309 HydrophobicContact CB-CD1 4.43Å; I301-I309 HydrophobicContact CG2-CD1 3.83Å; I301-E341 HydrophobicContact CG1-CB 4.45Å; I301-E341 HydrophobicContact CG2-CB 4.11Å; I301-V342 HydrophobicContact CG2-CG2 4.37Å
302E93.6Very high89.6Confident46 Ų4668.5 Ų68.522%0.21535%0.346CS..Hα-helixtrans-56.6-46.5174-72.8-177129.600111.8L298 K300 G306 T307 I309L298-E302 WeakPolarHBondContact O-CG 3.5Å; L298-E302 PolarHBondContact O-N 3.48Å; K300-E302 VanDerWaalsContact C-N 3.35Å; K300-E302 PolarHBondContact O-N 3.1Å; E302-G306 WeakPolarHBondContact O-CA 3.24Å; E302-G306 PolarHBondContact O-N 2.68Å; E302-T307 WeakPolarHBondContact CA-O 3.44Å; E302-T307 WeakPolarHBondContact CB-O 3.34Å; E302-T307 PolarHBondContact O-N 3.02Å; E302-T307 VanDerWaalsContact O-N 3.14Å; E302-I309 HydrophobicContact CG-CB 3.85Å; E302-I309 HydrophobicContact CG-CD1 3.9Å; E302-I309 HydrophobicContact CG-CG1 3.76Å; E302-I309 PolarHBondContact OE1-N 2.83Å; E302-I309 VanDerWaalsContact OE1-O 3.14Å
303Q93.4Very high89.4Confident161 Ų16170 Ų7075%0.75235%0.351SS*.Hα-helixtrans-66.9-47.8179.5-178.2176.314.700112.7K299 K300 I301 T305K299-Q303 VanDerWaalsContact O-CB 3.29Å; K299-Q303 WeakPolarHBondContact O-CB 3.41Å; K299-Q303 PolarHBondContact O-N 2.75Å; K300-Q303 PolarHBondContact O-N 2.85Å; I301-Q303 VanDerWaalsContact C-N 3.34Å; I301-Q303 PolarHBondContact O-N 2.98Å; Q303-T305 VanDerWaalsContact C-N 3.27Å; Q303-T305 PolarHBondContact O-N 3.3Å
304D93.8Very high89Confident103 Ų10366 Ų6655%0.55134%0.336SS*.Hα-helixtrans-68.2-30.1-175.5-69.9-10.3000111.4K300 I301K300-D304 WeakPolarHBondContact CE-OD2 3.48Å; K300-D304 WeakPolarHBondContact CG-OD2 3.34Å; K300-D304 WeakPolarHBondContact O-CB 3.31Å; K300-D304 PolarHBondContact O-N 3.04Å; I301-D304 PolarHBondContact O-N 3.44Å
305T93.8Very high88.3Confident9 Ų968.1 Ų68.16%0.05535%0.346CS..Hα-helixtrans-99.3-16.9-17763.30000113.7I301 Q303 T307 A334 R337 A338I301-T305 HydrophobicContact CG2-CG2 4.35Å; I301-T305 WeakPolarHBondContact O-CB 3.38Å; I301-T305 WeakPolarHBondContact O-CG2 3.03Å; I301-T305 PolarHBondContact O-N 3.29Å; I301-T305 PolarHBondContact O-OG1 3.41Å; Q303-T305 VanDerWaalsContact C-N 3.27Å; Q303-T305 PolarHBondContact O-N 3.3Å; T305-T307 VanDerWaalsContact C-N 3.35Å; T305-T307 PolarHBondContact OG1-OG1 2.84Å; T305-A334 WeakPolarHBondContact O-CB 3.4Å; T305-R337 HydrophobicContact CG2-CB 4.13Å; T305-A338 HydrophobicContact CG2-CB 4.09Å
306G93.1Very high87.4Confident61 Ų6172.3 Ų72.363%0.62937%0.365SS*.THydrogen-bonded Turntrans70.630.6-174.300000112.8E302E302-G306 WeakPolarHBondContact O-CA 3.24Å; E302-G306 PolarHBondContact O-N 2.68Å
307T94.6Very high86.1Confident12 Ų1265 Ų657%0.07434%0.339CS..  trans-111.7161.5-178.961.20000111.8E302 T305 I328 K329 A334 A338E302-T307 WeakPolarHBondContact CA-O 3.44Å; E302-T307 WeakPolarHBondContact CB-O 3.34Å; E302-T307 PolarHBondContact O-N 3.02Å; E302-T307 VanDerWaalsContact O-N 3.14Å; T305-T307 VanDerWaalsContact C-N 3.35Å; T305-T307 PolarHBondContact OG1-OG1 2.84Å; T307-I328 HydrophobicContact CG2-CG2 3.99Å; T307-K329 WeakPolarHBondContact CA-O 3.45Å; T307-K329 WeakPolarHBondContact CB-O 3.37Å; T307-A334 VanDerWaalsContact CG2-C 3.45Å; T307-A334 HydrophobicContact CG2-CB 3.58Å; T307-A334 WeakPolarHBondContact CG2-O 3.04Å; T307-A338 HydrophobicContact CG2-CB 3.89Å
308K94.6Very high84.4Confident139 Ų13966.7 Ų66.760%0.60435%0.351SS*.EExtended strand (participates in β ladder)trans-108.3118.5170-177174.2-177.2175.20109.3K329K308-K329 HydrophobicContact CB-CB 4.41Å; K308-K329 PolarHBondContact N-O 3.2Å; K308-K329 PolarHBondContact O-N 2.85Å
309I94.7Very high82Confident7 Ų770.5 Ų70.54%0.03637%0.37CS..EExtended strand (participates in β ladder)trans-114.2120.7-174-54.5174.7000109.9L298 I301 E302 I326 T327 I328L298-I309 HydrophobicContact CD1-CB 4.19Å; L298-I309 HydrophobicContact CD1-CD1 4.39Å; L298-I309 HydrophobicContact CD1-CG2 3.76Å; L298-I309 HydrophobicContact CG-CG2 4.5Å; I301-I309 HydrophobicContact CB-CD1 4.43Å; I301-I309 HydrophobicContact CG2-CD1 3.83Å; E302-I309 HydrophobicContact CG-CB 3.85Å; E302-I309 HydrophobicContact CG-CD1 3.9Å; E302-I309 HydrophobicContact CG-CG1 3.76Å; E302-I309 PolarHBondContact OE1-N 2.83Å; E302-I309 VanDerWaalsContact OE1-O 3.14Å; I309-I326 HydrophobicContact CG2-CG2 3.63Å; I309-T327 CarbonylContact C-O 3.57Å; I309-T327 WeakPolarHBondContact CA-O 3.44Å; I309-I328 HydrophobicContact CG1-CG1 4.14Å; I309-I328 HydrophobicContact CG1-CG2 4.21Å; I309-I328 HydrophobicContact CG2-CG1 4.28Å
310T91.8Very high79.7Confident65 Ų6573.8 Ų73.840%0.39938%0.381SS..EExtended strand (participates in β ladder)trans-120.2134.7177.156.50000110.7T327T310-T327 PolarHBondContact N-O 3.48Å; T310-T327 WeakPolarHBondContact O-CB 3.41Å; T310-T327 PolarHBondContact O-N 2.86Å; T310-T327 WeakPolarHBondContact OG1-CB 2.89Å
311I90.5Very high78.3Confident34 Ų3471.5 Ų71.517%0.17437%0.374CS..EExtended strand (participates in β ladder)trans-111.1132-177.7-59169.7000108.9V287 I291 L298 I326V287-I311 HydrophobicContact CG1-CD1 3.97Å; V287-I311 HydrophobicContact CG1-CG2 3.55Å; I291-I311 HydrophobicContact CD1-CD1 3.69Å; I291-I311 HydrophobicContact CG1-CD1 3.35Å; L298-I311 HydrophobicContact CD1-CD1 4.1Å; L298-I311 HydrophobicContact CD2-CD1 3.88Å; I311-I326 HydrophobicContact CG1-CG1 4.43Å; I311-I326 HydrophobicContact CG1-CG2 4.46Å
312S86.3Confident77.1Confident20 Ų2073.4 Ų73.414%0.1439%0.387CS..  trans-49.3137173.848.10000112.3R324 T325S312-R324 PolarHBondContact O-NE 3.41Å; S312-R324 PolarHBondContact O-NH2 3.48Å; S312-T325 PolarHBondContact N-O 3.2Å; S312-T325 PolarHBondContact OG-N 2.94Å; S312-T325 PolarHBondContact OG-O 3.31Å; S312-T325 VanDerWaalsContact OG-O 3.1Å
313P74.9Confident76.6Confident57 Ų5773.4 Ų73.437%0.3739%0.387SS..  trans-62.8162.6-177.926.8-35.8000113.3Q315 D316P313-Q315 PolarHBondContact O-N 3.47Å; P313-D316 VanDerWaalsContact CD-OD2 3.27Å; P313-D316 WeakPolarHBondContact CD-OD2 3.39Å; P313-D316 WeakPolarHBondContact CG-OD2 3.48Å; P313-D316 PolarHBondContact O-N 3Å
314L70.1Confident76.3Confident63 Ų6366.6 Ų66.633%0.3335%0.354SS..G310 helixtrans-65.6-20.5178.4-74.7163.8000113.2D316 L317L314-D316 PolarHBondContact O-N 3.4Å; L314-L317 HydrophobicContact CB-CD1 4.46Å; L314-L317 HydrophobicContact CD2-CD1 4.16Å; L314-L317 VanDerWaalsContact O-CD1 3.24Å; L314-L317 WeakPolarHBondContact O-CD1 3.21Å; L314-L317 PolarHBondContact O-N 3.23Å
315Q62.8Low76.1Confident150 Ų15063.1 Ų63.170%0.70134%0.337SS*.G310 helixtrans-68.7-21.8179.3-64.2112.518.200113.1P313 L317P313-Q315 PolarHBondContact O-N 3.47Å; Q315-L317 VanDerWaalsContact C-N 3.28Å; Q315-L317 PolarHBondContact O-N 2.97Å
316D62.9Low76.2Confident102 Ų10262.7 Ų62.755%0.54533%0.334SS..G310 helixtrans-81.7-4.9-178.2-64.2-14.2000113P313 L314P313-D316 VanDerWaalsContact CD-OD2 3.27Å; P313-D316 WeakPolarHBondContact CD-OD2 3.39Å; P313-D316 WeakPolarHBondContact CG-OD2 3.48Å; P313-D316 PolarHBondContact O-N 3Å; L314-D316 PolarHBondContact O-N 3.4Å
317L58.1Low76.2Confident20 Ų2060.8 Ų60.811%0.10531%0.31CS..  trans-82142.3177.3-70.287.6000111.6N284 L314 Q315 R324N284-L317 HydrophobicContact CB-CD2 3.59Å; L314-L317 HydrophobicContact CB-CD1 4.46Å; L314-L317 HydrophobicContact CD2-CD1 4.16Å; L314-L317 VanDerWaalsContact O-CD1 3.24Å; L314-L317 WeakPolarHBondContact O-CD1 3.21Å; L314-L317 PolarHBondContact O-N 3.23Å; Q315-L317 VanDerWaalsContact C-N 3.28Å; Q315-L317 PolarHBondContact O-N 2.97Å; L317-R324 HydrophobicContact CD1-CG 3.67Å; L317-R324 HydrophobicContact CD2-CG 4.13Å; L317-R324 HydrophobicContact CG-CG 4.03Å
318T53.1Low76.3Confident73 Ų7360.2 Ų60.245%0.44831%0.307SS..BIsolated β-bridgetrans-133.1162.3171.665.50000109.7Y320 N321T318-Y320 PolarHBondContact O-N 3.19Å; T318-Y320 VanDerWaalsContact O-N 3.09Å; T318-N321 PolarHBondContact N-O 3.43Å; T318-N321 CarbonylContact O-C 3.52Å; T318-N321 PolarHBondContact O-N 3.46Å; T318-N321 PolarHBondContact OG1-N 2.75Å; T318-N321 VanDerWaalsContact OG1-N 3.13Å
319L40.4Very low76.3Confident101 Ų10158.2 Ų58.253%0.52930%0.298SS..THydrogen-bonded Turntrans-57.1-26.6175.7-127.484.6000113.5E509L319-E509 VanDerWaalsContact CB-OE2 3.29Å; L319-E509 WeakPolarHBondContact CB-OE2 3.3Å; L319-E509 WeakPolarHBondContact CD1-OE1 3.44Å; L319-E509 WeakPolarHBondContact CD1-OE2 3.43Å; L319-E509 WeakPolarHBondContact CD2-OE1 3.42Å
320Y44.1Very low76.1Confident202 Ų20259.2 Ų59.279%0.79231%0.311SS*.THydrogen-bonded Turntrans-88.4-15.4178.3-60.2-76.9000113T318T318-Y320 PolarHBondContact O-N 3.19Å; T318-Y320 VanDerWaalsContact O-N 3.09Å
321N63.8Low76.1Confident69 Ų6959.6 Ų59.637%0.36932%0.316SS..BIsolated β-bridgetrans-137.386.4176-170.94.5000110.9T318 E323T318-N321 PolarHBondContact N-O 3.43Å; T318-N321 CarbonylContact O-C 3.52Å; T318-N321 PolarHBondContact O-N 3.46Å; T318-N321 PolarHBondContact OG1-N 2.75Å; T318-N321 VanDerWaalsContact OG1-N 3.13Å; N321-E323 PolarHBondContact O-N 2.8Å; N321-E323 WeakPolarHBondContact OD1-CB 3.44Å; N321-E323 PolarHBondContact OD1-N 2.74Å; N321-E323 VanDerWaalsContact OD1-N 3.12Å; N321-E323 PolarHBondContact OD1-O 2.79Å
322P69.9Low76.1Confident47 Ų4759.9 Ų59.931%0.30532%0.317SS..  trans-81.83.5174.335.5-36.5000112.9H283 N284H283-P322 WeakPolarHBondContact NE2-CB 3.26Å; N284-P322 PolarHBondContact N-O 2.99Å
323E81.8Confident76.4Confident47 Ų4764.1 Ų64.122%0.2234%0.335CS..EExtended strand (participates in β ladder)trans-84.9131.4179.3-53.3-170133.100110.4R198 L281 A282 N321R198-E323 IonicContact CZ-OE1 2.71Å; R198-E323 IonicContact CZ-OE2 2.75Å; R198-E323 IonicContact NE-OE1 2.65Å; R198-E323 PolarHBondContact NE-OE1 2.67Å; R198-E323 IonicContact NE-OE2 3.71Å; R198-E323 PolarHBondContact NE-OE2 3.34Å; R198-E323 IonicContact NH2-OE1 2.96Å; R198-E323 IonicContact NH2-OE2 2.68Å; R198-E323 PolarHBondContact NH2-OE2 2.89Å; L281-E323 HydrophobicContact CD2-CB 4.19Å; A282-E323 CarbonylContact O-C 3.53Å; A282-E323 WeakPolarHBondContact O-CA 3.42Å; N321-E323 PolarHBondContact O-N 2.8Å; N321-E323 WeakPolarHBondContact OD1-CB 3.44Å; N321-E323 PolarHBondContact OD1-N 2.74Å; N321-E323 VanDerWaalsContact OD1-N 3.12Å; N321-E323 PolarHBondContact OD1-O 2.79Å
324R87.4Confident77.3Confident17 Ų1761.6 Ų61.66%0.06432%0.319CS..EExtended strand (participates in β ladder)trans-99.6145.5169.3-72.1-179.676.8-179.20.8109.5A282 N284 V287 S312 L317A282-R324 PolarHBondContact N-O 2.98Å; A282-R324 PolarHBondContact O-N 3.5Å; N284-R324 WeakPolarHBondContact OD1-CD 3.24Å; V287-R324 HydrophobicContact CG1-CB 4.4Å; V287-R324 HydrophobicContact CG2-CB 4.12Å; S312-R324 PolarHBondContact O-NE 3.41Å; S312-R324 PolarHBondContact O-NH2 3.48Å; L317-R324 HydrophobicContact CD1-CG 3.67Å; L317-R324 HydrophobicContact CD2-CG 4.13Å; L317-R324 HydrophobicContact CG-CG 4.03Å
325T90.3Very high78.4Confident30 Ų3058.8 Ų58.818%0.18430%0.304CS..EExtended strand (participates in β ladder)trans-87.5125.1172.8-55.20000110.1L200 K279 I280 S312L200-T325 HydrophobicContact CD1-CG2 4Å; K279-T325 HydrophobicContact CB-CG2 3.99Å; K279-T325 HydrophobicContact CD-CG2 4.29Å; K279-T325 HydrophobicContact CG-CG2 4.15Å; I280-T325 CarbonylContact O-C 3.54Å; I280-T325 WeakPolarHBondContact O-CA 3.48Å; S312-T325 PolarHBondContact N-O 3.2Å; S312-T325 PolarHBondContact OG-N 2.94Å; S312-T325 PolarHBondContact OG-O 3.31Å; S312-T325 VanDerWaalsContact OG-O 3.1Å
326I94.7Very high79.9Confident0 Ų052.4 Ų52.40%028%0.277CS..EExtended strand (participates in β ladder)trans-102.1113.2170.4-55.7161.3000106.8K279 I280 A282 V287 L290 I309 I311 I328 V342 I346K279-I326 CarbonylContact C-O 3.49Å; K279-I326 WeakPolarHBondContact CA-O 3.25Å; I280-I326 HydrophobicContact CB-CB 4.35Å; I280-I326 PolarHBondContact N-O 2.87Å; I280-I326 PolarHBondContact O-N 3.21Å; A282-I326 HydrophobicContact CB-CD1 3.96Å; V287-I326 HydrophobicContact CG2-CD1 4.13Å; V287-I326 HydrophobicContact CG2-CG1 4.32Å; L290-I326 HydrophobicContact CD2-CD1 3.55Å; L290-I326 HydrophobicContact CD2-CG1 4.35Å; I309-I326 HydrophobicContact CG2-CG2 3.63Å; I311-I326 HydrophobicContact CG1-CG1 4.43Å; I311-I326 HydrophobicContact CG1-CG2 4.46Å; I326-I328 HydrophobicContact CG2-CG1 4.28Å; I326-V342 HydrophobicContact CD1-CG1 3.97Å; I326-I346 HydrophobicContact CD1-CD1 4.28Å
327T94.6Very high81.3Confident21 Ų2153.1 Ų53.113%0.12927%0.272CS..EExtended strand (participates in β ladder)trans-103.5122.8-178.5-550000109.2P277 L278 K279 I309 T310P277-T327 HydrophobicContact CB-CG2 3.53Å; P277-T327 HydrophobicContact CG-CG2 3.97Å; L278-T327 CarbonylContact O-C 3.21Å; L278-T327 WeakPolarHBondContact O-CA 3.41Å; K279-T327 HydrophobicContact CG-CG2 4.16Å; I309-T327 CarbonylContact C-O 3.57Å; I309-T327 WeakPolarHBondContact CA-O 3.44Å; T310-T327 PolarHBondContact N-O 3.48Å; T310-T327 WeakPolarHBondContact O-CB 3.41Å; T310-T327 PolarHBondContact O-N 2.86Å; T310-T327 WeakPolarHBondContact OG1-CB 2.89Å
328I96Very high83.1Confident0 Ų052.2 Ų52.20%027%0.267CS..EExtended strand (participates in β ladder)trans-114.6125.1-178.1-51.7178.4000107.8P277 L278 I280 T307 I309 I326 C335 A338 V342P277-I328 WeakPolarHBondContact CA-O 3.26Å; L278-I328 HydrophobicContact CB-CB 4.23Å; L278-I328 HydrophobicContact CD2-CD1 4.19Å; L278-I328 PolarHBondContact N-O 3.49Å; L278-I328 PolarHBondContact O-N 2.71Å; I280-I328 HydrophobicContact CD1-CD1 3.81Å; T307-I328 HydrophobicContact CG2-CG2 3.99Å; I309-I328 HydrophobicContact CG1-CG1 4.14Å; I309-I328 HydrophobicContact CG1-CG2 4.21Å; I309-I328 HydrophobicContact CG2-CG1 4.28Å; I326-I328 HydrophobicContact CG2-CG1 4.28Å; I328-C335 HydrophobicContact CG2-CB 4.41Å; I328-A338 HydrophobicContact CD1-CB 4.12Å; I328-A338 HydrophobicContact CG2-CB 3.87Å; I328-V342 HydrophobicContact CD1-CG2 4.38Å
329K93.4Very high85.1Confident97 Ų9748.8 Ų48.842%0.42225%0.246SC..EExtended strand (participates in β ladder)trans-115.6140.6177.1-67.5-174.1176.9-162.50110.4P277 T307 K308P277-K329 HydrophobicContact CB-CG 3.91Å; T307-K329 WeakPolarHBondContact CA-O 3.45Å; T307-K329 WeakPolarHBondContact CB-O 3.37Å; K308-K329 HydrophobicContact CB-CB 4.41Å; K308-K329 PolarHBondContact N-O 3.2Å; K308-K329 PolarHBondContact O-N 2.85Å
330G90.7Very high87.6Confident29 Ų2948.4 Ų48.430%0.29924%0.241SC..SBendtrans147.1-177.6-172.800000112.4E275 C335E275-G330 PolarHBondContact OE1-N 3.2Å; E275-G330 VanDerWaalsContact OE1-N 3.14Å; G330-C335 PolarHBondContact O-SG 3.14Å
331S92.1Very high90Very high72 Ų7242.2 Ų42.250%0.50322%0.219SC..  trans-64.7154.9175.568.80000111.5E333 A334 C335S331-E333 PolarHBondContact O-N 3.27Å; S331-A334 CarbonylContact O-C 3.6Å; S331-A334 PolarHBondContact O-N 3.33Å; S331-A334 VanDerWaalsContact OG-CB 3.31Å; S331-A334 WeakPolarHBondContact OG-CB 3.47Å; S331-A334 PolarHBondContact OG-N 2.73Å; S331-C335 WeakPolarHBondContact O-CB 3.17Å; S331-C335 PolarHBondContact O-N 2.84Å; S331-C335 PolarHBondContact O-SG 3.35Å
332I91.3Very high91.4Very high40 Ų4038.9 Ų38.921%0.20520%0.202CC..Hα-helixtrans-54.6-39.4-179.7-65.3168.5000111.5R257 M260 D261 Q264 S336R257-I332 HydrophobicContact CG-CG2 4.08Å; M260-I332 HydrophobicContact CB-CG2 4.23Å; M260-I332 HydrophobicContact CE-CG2 4.26Å; D261-I332 WeakPolarHBondContact OD1-CD1 3.41Å; Q264-I332 HydrophobicContact CB-CD1 4Å; Q264-I332 HydrophobicContact CG-CD1 4.15Å; I332-S336 WeakPolarHBondContact O-CB 3.32Å; I332-S336 PolarHBondContact O-N 3.36Å
333E91.4Very high92.5Very high109 Ų10937.5 Ų37.551%0.50919%0.191SC..Hα-helixtrans-67.5-41.5176.2-60.7-171.6164.400112.7R257 S331 S336 R337R257-E333 IonicContact NH2-OE1 3.02Å; S331-E333 PolarHBondContact O-N 3.27Å; E333-S336 PolarHBondContact O-N 2.79Å; E333-R337 WeakPolarHBondContact O-CG 3.45Å; E333-R337 PolarHBondContact O-N 2.8Å; E333-R337 VanDerWaalsContact O-N 3.14Å
334A93.7Very high93Very high4 Ų440 Ų403%0.03320%0.201CC..Hα-helixtrans-67.6-42.7177.200000111.2T305 T307 S331 S336 R337 A338T305-A334 WeakPolarHBondContact O-CB 3.4Å; T307-A334 VanDerWaalsContact CG2-C 3.45Å; T307-A334 HydrophobicContact CG2-CB 3.58Å; T307-A334 WeakPolarHBondContact CG2-O 3.04Å; S331-A334 CarbonylContact O-C 3.6Å; S331-A334 PolarHBondContact O-N 3.33Å; S331-A334 VanDerWaalsContact OG-CB 3.31Å; S331-A334 WeakPolarHBondContact OG-CB 3.47Å; S331-A334 PolarHBondContact OG-N 2.73Å; A334-S336 VanDerWaalsContact C-N 3.34Å; A334-S336 PolarHBondContact O-N 2.94Å; A334-R337 PolarHBondContact O-N 3.31Å; A334-A338 WeakPolarHBondContact O-CB 3.44Å; A334-A338 PolarHBondContact O-N 2.9Å
335C94.2Very high93.2Very high4 Ų442.2 Ų42.23%0.02721%0.211CC..Hα-helixtrans-61.4-40174.5-72.10000112M260 L278 I328 G330 S331 A338 E339M260-C335 HydrophobicContact CE-CB 4.13Å; M260-C335 HydrophobicContact SD-CB 3.95Å; L278-C335 HydrophobicContact CB-CB 4.37Å; L278-C335 HydrophobicContact CD2-CB 4.21Å; I328-C335 HydrophobicContact CG2-CB 4.41Å; G330-C335 PolarHBondContact O-SG 3.14Å; S331-C335 WeakPolarHBondContact O-CB 3.17Å; S331-C335 PolarHBondContact O-N 2.84Å; S331-C335 PolarHBondContact O-SG 3.35Å; C335-A338 PolarHBondContact O-N 3.07Å; C335-E339 VanDerWaalsContact O-CB 3.3Å; C335-E339 WeakPolarHBondContact O-CB 3.48Å; C335-E339 PolarHBondContact O-N 3.15Å
336S93.1Very high93.2Very high17 Ų1741 Ų4112%0.11920%0.204CC..Hα-helixtrans-63.3-43.4175.5-170.40000112I332 E333 A334 E339 E340I332-S336 WeakPolarHBondContact O-CB 3.32Å; I332-S336 PolarHBondContact O-N 3.36Å; E333-S336 PolarHBondContact O-N 2.79Å; A334-S336 VanDerWaalsContact C-N 3.34Å; A334-S336 PolarHBondContact O-N 2.94Å; S336-E339 PolarHBondContact O-N 3.48Å; S336-E340 PolarHBondContact O-N 3.24Å; S336-E340 VanDerWaalsContact O-N 3.15Å
337R93.8Very high92.9Very high117 Ų11742.9 Ų42.944%0.44221%0.211SC..Hα-helixtrans-67-38.3175.6-68.2-170.8-58.7-95.5-0.1112.3T305 E333 A334 E340 E341T305-R337 HydrophobicContact CG2-CB 4.13Å; E333-R337 WeakPolarHBondContact O-CG 3.45Å; E333-R337 PolarHBondContact O-N 2.8Å; E333-R337 VanDerWaalsContact O-N 3.14Å; A334-R337 PolarHBondContact O-N 3.31Å; R337-E340 PolarHBondContact O-N 3.37Å; R337-E341 PolarHBondContact O-N 3.28Å
338A95Very high92.6Very high0 Ų045.7 Ų45.70%022%0.222CC..Hα-helixtrans-66.8-40.3176.400000112.3T305 T307 I328 A334 C335 E341 V342T305-A338 HydrophobicContact CG2-CB 4.09Å; T307-A338 HydrophobicContact CG2-CB 3.89Å; I328-A338 HydrophobicContact CD1-CB 4.12Å; I328-A338 HydrophobicContact CG2-CB 3.87Å; A334-A338 WeakPolarHBondContact O-CB 3.44Å; A334-A338 PolarHBondContact O-N 2.9Å; C335-A338 PolarHBondContact O-N 3.07Å; A338-E341 PolarHBondContact O-N 3.23Å; A338-V342 VanDerWaalsContact O-CB 3.28Å; A338-V342 WeakPolarHBondContact O-CB 3.27Å; A338-V342 WeakPolarHBondContact O-CG2 3.34Å; A338-V342 PolarHBondContact O-N 2.94Å
339E95.2Very high92.1Very high2 Ų246 Ų461%0.00923%0.225CC..Hα-helixtrans-58.9-47.6173.7-179.2-84.314300111.6L197 S253 L278 I280 C335 S336 E341 V342 M343L197-E339 HydrophobicContact CD1-CG 4.32Å; L197-E339 HydrophobicContact CD2-CG 4.27Å; L197-E339 WeakPolarHBondContact CD2-OE1 3.35Å; S253-E339 VanDerWaalsContact CA-OE2 3.27Å; S253-E339 WeakPolarHBondContact CA-OE2 3.4Å; S253-E339 VanDerWaalsContact CB-OE2 3.23Å; S253-E339 WeakPolarHBondContact CB-OE2 3.31Å; S253-E339 PolarHBondContact OG-OE2 2.91Å; L278-E339 HydrophobicContact CD2-CB 3.81Å; L278-E339 HydrophobicContact CD2-CG 4.24Å; I280-E339 HydrophobicContact CD1-CB 4.11Å; I280-E339 HydrophobicContact CD1-CG 3.77Å; C335-E339 VanDerWaalsContact O-CB 3.3Å; C335-E339 WeakPolarHBondContact O-CB 3.48Å; C335-E339 PolarHBondContact O-N 3.15Å; S336-E339 PolarHBondContact O-N 3.48Å; E339-E341 PolarHBondContact O-N 3.37Å; E339-V342 PolarHBondContact O-N 3.44Å; E339-M343 HydrophobicContact CG-CG 4.49Å; E339-M343 WeakPolarHBondContact O-CB 3.41Å; E339-M343 WeakPolarHBondContact O-CG 3.39Å; E339-M343 PolarHBondContact O-N 3.05Å; E339-M343 WeakPolarHBondContact OE1-CG 3.31Å
340E93.8Very high91.7Very high93 Ų9344.4 Ų44.444%0.43522%0.217SC..Hα-helixtrans-58.1-49.4178.9-171.1-177.3172.500111.7S336 R337 V342 M343 K344S336-E340 PolarHBondContact O-N 3.24Å; S336-E340 VanDerWaalsContact O-N 3.15Å; R337-E340 PolarHBondContact O-N 3.37Å; E340-V342 PolarHBondContact O-N 3.03Å; E340-M343 PolarHBondContact O-N 3.23Å; E340-K344 WeakPolarHBondContact O-CB 3.33Å; E340-K344 PolarHBondContact O-N 3.39Å
341E93.5Very high91.4Very high71 Ų7147 Ų4733%0.33222%0.224SC..Hα-helixtrans-67-36.4178.1-77.9-66.3143.900112.8I301 R337 A338 E339 K344 K345I301-E341 HydrophobicContact CG1-CB 4.45Å; I301-E341 HydrophobicContact CG2-CB 4.11Å; R337-E341 PolarHBondContact O-N 3.28Å; A338-E341 PolarHBondContact O-N 3.23Å; E339-E341 PolarHBondContact O-N 3.37Å; E341-K344 IonicContact OE1-NZ 2.69Å; E341-K344 PolarHBondContact OE1-NZ 2.71Å; E341-K344 IonicContact OE2-NZ 3.45Å; E341-K345 PolarHBondContact O-N 2.65Å; E341-K345 VanDerWaalsContact O-N 3.11Å
342V94.3Very high90.7Very high0 Ų046.9 Ų46.90%022%0.223CC..Hα-helixtrans-63.8-50.5174.7164.70000110.8I280 L290 I301 I326 I328 A338 E339 E340 K344 K345 I346I280-V342 HydrophobicContact CD1-CG1 4.3Å; L290-V342 HydrophobicContact CD1-CB 4.37Å; L290-V342 HydrophobicContact CD1-CG1 4.28Å; L290-V342 HydrophobicContact CD1-CG2 4.19Å; L290-V342 HydrophobicContact CD2-CG1 3.83Å; L290-V342 HydrophobicContact CD2-CG2 4.4Å; I301-V342 HydrophobicContact CG2-CG2 4.37Å; I326-V342 HydrophobicContact CD1-CG1 3.97Å; I328-V342 HydrophobicContact CD1-CG2 4.38Å; A338-V342 VanDerWaalsContact O-CB 3.28Å; A338-V342 WeakPolarHBondContact O-CB 3.27Å; A338-V342 WeakPolarHBondContact O-CG2 3.34Å; A338-V342 PolarHBondContact O-N 2.94Å; E339-V342 PolarHBondContact O-N 3.44Å; E340-V342 PolarHBondContact O-N 3.03Å; V342-K344 PolarHBondContact O-N 3.07Å; V342-K345 PolarHBondContact O-N 3.4Å; V342-I346 HydrophobicContact CG1-CD1 3.79Å; V342-I346 WeakPolarHBondContact O-CG1 3.15Å; V342-I346 PolarHBondContact O-N 3.24Å
343M93Very high90Very high17 Ų1747.4 Ų47.48%0.08423%0.226CC..Hα-helixtrans-67.8-35.7-178.5-75.1-55-63.500112.4I195 L197 I280 E339 E340 K345 I346 R347I195-M343 HydrophobicContact CG2-CE 4.44Å; L197-M343 HydrophobicContact CB-CE 4.3Å; L197-M343 HydrophobicContact CD1-CE 4.33Å; L197-M343 HydrophobicContact CD1-CG 3.8Å; L197-M343 HydrophobicContact CD1-SD 3.7Å; I280-M343 HydrophobicContact CG2-SD 4.25Å; E339-M343 HydrophobicContact CG-CG 4.49Å; E339-M343 WeakPolarHBondContact O-CB 3.41Å; E339-M343 WeakPolarHBondContact O-CG 3.39Å; E339-M343 PolarHBondContact O-N 3.05Å; E339-M343 WeakPolarHBondContact OE1-CG 3.31Å; E340-M343 PolarHBondContact O-N 3.23Å; M343-K345 VanDerWaalsContact C-N 3.35Å; M343-K345 PolarHBondContact O-N 3Å; M343-I346 PolarHBondContact O-N 3.1Å; M343-I346 HydrophobicContact SD-CD1 3.9Å; M343-R347 WeakPolarHBondContact O-CB 3.45Å; M343-R347 PolarHBondContact O-N 3.17Å
344K91.8Very high89.1Confident99 Ų9946.1 Ų46.143%0.4322%0.221SC..Hα-helixtrans-57.2-46.8170.4177.5179.3170.9-170.60111.4E340 E341 V342 I346 R347 E348E340-K344 WeakPolarHBondContact O-CB 3.33Å; E340-K344 PolarHBondContact O-N 3.39Å; E341-K344 IonicContact OE1-NZ 2.69Å; E341-K344 PolarHBondContact OE1-NZ 2.71Å; E341-K344 IonicContact OE2-NZ 3.45Å; V342-K344 PolarHBondContact O-N 3.07Å; K344-I346 PolarHBondContact O-N 3.38Å; K344-R347 WeakPolarHBondContact O-CB 3.3Å; K344-R347 PolarHBondContact O-N 3.4Å; K344-E348 WeakPolarHBondContact O-CG 3.49Å; K344-E348 PolarHBondContact O-N 3.09Å
345K90.7Very high88.2Confident64 Ų6448.5 Ų48.528%0.27824%0.241SC..Hα-helixtrans-67.4-35.8178-155.976.2-164.8157.50113.5L290 N297 E341 V342 M343 E348 S349L290-K345 HydrophobicContact CD1-CB 3.72Å; L290-K345 HydrophobicContact CD1-CG 4.07Å; N297-K345 WeakPolarHBondContact ND2-CD 3.34Å; N297-K345 WeakPolarHBondContact ND2-CE 3.43Å; N297-K345 WeakPolarHBondContact ND2-CG 3.38Å; E341-K345 PolarHBondContact O-N 2.65Å; E341-K345 VanDerWaalsContact O-N 3.11Å; V342-K345 PolarHBondContact O-N 3.4Å; M343-K345 VanDerWaalsContact C-N 3.35Å; M343-K345 PolarHBondContact O-N 3Å; K345-E348 WeakPolarHBondContact CD-OE2 3.45Å; K345-E348 WeakPolarHBondContact CE-OE2 3.48Å; K345-E348 IonicContact NZ-OE2 3.67Å; K345-E348 PolarHBondContact NZ-OE2 2.9Å; K345-S349 WeakPolarHBondContact O-CB 3.29Å; K345-S349 PolarHBondContact O-N 3.19Å; K345-S349 PolarHBondContact O-OG 3.42Å
346I91.3Very high86.9Confident4 Ų450.8 Ų50.82%0.02126%0.259CS..Hα-helixtrans-63.9-43.7174.1-70.9166.7000110.1I195 A282 F286 I326 V342 M343 K344 S349 Y350I195-I346 HydrophobicContact CD1-CG2 4.44Å; A282-I346 HydrophobicContact CB-CD1 3.72Å; F286-I346 HydrophobicContact CB-CB 4.42Å; F286-I346 HydrophobicContact CB-CG1 4.15Å; F286-I346 HydrophobicContact CB-CG2 3.99Å; F286-I346 HydrophobicContact CD2-CG2 4.14Å; F286-I346 HydrophobicContact CG-CG2 4.08Å; I326-I346 HydrophobicContact CD1-CD1 4.28Å; V342-I346 HydrophobicContact CG1-CD1 3.79Å; V342-I346 WeakPolarHBondContact O-CG1 3.15Å; V342-I346 PolarHBondContact O-N 3.24Å; M343-I346 PolarHBondContact O-N 3.1Å; M343-I346 HydrophobicContact SD-CD1 3.9Å; K344-I346 PolarHBondContact O-N 3.38Å; I346-S349 WeakPolarHBondContact O-CB 3.3Å; I346-S349 PolarHBondContact O-N 2.87Å; I346-Y350 PolarHBondContact O-N 3.47Å
347R89.1Confident85.3Confident41 Ų4156 Ų5616%0.15528%0.284CS..Hα-helixtrans-62.7-47.5176.4-170.6-173-55-121.2-12.8112.6D194 I195 M343 K344 S349 Y350 D351D194-R347 IonicContact OD1-CZ 3.56Å; D194-R347 IonicContact OD1-NH1 3.46Å; D194-R347 PolarHBondContact OD1-NH1 3.04Å; D194-R347 IonicContact OD1-NH2 2.89Å; D194-R347 PolarHBondContact OD1-NH2 3.3Å; D194-R347 IonicContact OD2-NH1 3.27Å; D194-R347 PolarHBondContact OD2-NH1 3.45Å; I195-R347 HydrophobicContact CD1-CB 4.36Å; I195-R347 HydrophobicContact CD1-CG 4.49Å; M343-R347 WeakPolarHBondContact O-CB 3.45Å; M343-R347 PolarHBondContact O-N 3.17Å; K344-R347 WeakPolarHBondContact O-CB 3.3Å; K344-R347 PolarHBondContact O-N 3.4Å; R347-S349 PolarHBondContact O-N 3.11Å; R347-Y350 WeakPolarHBondContact O-CB 3.35Å; R347-Y350 PolarHBondContact O-N 2.85Å; R347-Y350 VanDerWaalsContact O-N 3.13Å; R347-D351 PolarHBondContact O-N 2.9Å
348E88.4Confident83.5Confident79 Ų7955.5 Ų55.537%0.36929%0.29SS..Hα-helixtrans-56.1-39.4174.1-73.3175.4-176.900112K344 K345 S352K344-E348 WeakPolarHBondContact O-CG 3.49Å; K344-E348 PolarHBondContact O-N 3.09Å; K345-E348 WeakPolarHBondContact CD-OE2 3.45Å; K345-E348 WeakPolarHBondContact CE-OE2 3.48Å; K345-E348 IonicContact NZ-OE2 3.67Å; K345-E348 PolarHBondContact NZ-OE2 2.9Å; E348-S352 WeakPolarHBondContact O-CB 3.37Å; E348-S352 PolarHBondContact O-N 3.21Å; E348-S352 PolarHBondContact O-OG 3.1Å
349S84.5Confident81.5Confident7 Ų760.9 Ų60.95%0.04932%0.318CS..Hα-helixtrans-66.9-43178.1-63.70000111.6R289 K345 I346 R347 S352 D353R289-S349 VanDerWaalsContact CZ-CB 3.44Å; R289-S349 PolarHBondContact NH1-O 3.02Å; R289-S349 PolarHBondContact NH2-O 3.07Å; K345-S349 WeakPolarHBondContact O-CB 3.29Å; K345-S349 PolarHBondContact O-N 3.19Å; K345-S349 PolarHBondContact O-OG 3.42Å; I346-S349 WeakPolarHBondContact O-CB 3.3Å; I346-S349 PolarHBondContact O-N 2.87Å; R347-S349 PolarHBondContact O-N 3.11Å; S349-S352 PolarHBondContact O-N 2.88Å; S349-D353 PolarHBondContact O-N 3.42Å; S349-D353 VanDerWaalsContact O-N 3.1Å
350Y84.9Confident79Confident64 Ų6468 Ų6825%0.25135%0.351SS..Hα-helixtrans-64.5-45.8175.1177.9-92.6000112.6I195 F286 I346 R347 S352 D353 M354I195-Y350 HydrophobicContact CD1-CD1 3.75Å; I195-Y350 HydrophobicContact CD1-CD2 3.94Å; I195-Y350 HydrophobicContact CD1-CG 3.37Å; I195-Y350 HydrophobicContact CG1-CD1 4.08Å; I195-Y350 HydrophobicContact CG1-CD2 4.33Å; I195-Y350 HydrophobicContact CG1-CE1 4.47Å; I195-Y350 HydrophobicContact CG1-CG 4.01Å; F286-Y350 HydrophobicContact CE1-CD2 4.23Å; F286-Y350 AromaticContact CZ-CD2 3.83Å; F286-Y350 HydrophobicContact CZ-CD2 3.83Å; I346-Y350 PolarHBondContact O-N 3.47Å; R347-Y350 WeakPolarHBondContact O-CB 3.35Å; R347-Y350 PolarHBondContact O-N 2.85Å; R347-Y350 VanDerWaalsContact O-N 3.13Å; Y350-S352 VanDerWaalsContact C-N 3.27Å; Y350-S352 PolarHBondContact O-N 2.96Å; Y350-D353 PolarHBondContact O-N 3.17Å; Y350-D353 VanDerWaalsContact O-N 3.11Å; Y350-M354 HydrophobicContact CD1-CG 4.16Å; Y350-M354 HydrophobicContact CE1-CG 3.74Å; Y350-M354 WeakPolarHBondContact O-CG 3.49Å; Y350-M354 PolarHBondContact O-N 3.1Å
351D83.9Confident76.6Confident83 Ų8367.6 Ų67.644%0.44436%0.358SS..Hα-helixtrans-62.2-38.3177.6-72.6-19.1000111.2R347 D353 M354 A355R347-D351 PolarHBondContact O-N 2.9Å; D351-D353 VanDerWaalsContact C-N 3.33Å; D351-D353 PolarHBondContact O-N 3.32Å; D351-M354 PolarHBondContact O-N 2.9Å; D351-A355 WeakPolarHBondContact O-CB 3.3Å; D351-A355 PolarHBondContact O-N 3.26Å
352S79Confident74.1Confident69 Ų6970 Ų7048%0.48337%0.373SS..Hα-helixtrans-61.8-40174.2-610000112.2E348 S349 Y350 A356E348-S352 WeakPolarHBondContact O-CB 3.37Å; E348-S352 PolarHBondContact O-N 3.21Å; E348-S352 PolarHBondContact O-OG 3.1Å; S349-S352 PolarHBondContact O-N 2.88Å; Y350-S352 VanDerWaalsContact C-N 3.27Å; Y350-S352 PolarHBondContact O-N 2.96Å; S352-A356 WeakPolarHBondContact O-CB 3.46Å; S352-A356 PolarHBondContact O-N 3.41Å
353D75.3Confident71.6Confident52 Ų5276 Ų7628%0.27841%0.405SS..Hα-helixtrans-69.1-42.4177.4-71.3-2.9000111.6R289 S349 Y350 D351 A355 A356 M357R289-D353 IonicContact CZ-OD1 2.8Å; R289-D353 IonicContact CZ-OD2 2.78Å; R289-D353 IonicContact NH1-OD1 3.88Å; R289-D353 PolarHBondContact NH1-OD1 2.9Å; R289-D353 IonicContact NH1-OD2 2.94Å; R289-D353 IonicContact NH2-OD1 2.76Å; R289-D353 PolarHBondContact NH2-OD1 3.01Å; R289-D353 VanDerWaalsContact NH2-OD1 3.09Å; R289-D353 IonicContact NH2-OD2 3.68Å; R289-D353 PolarHBondContact NH2-OD2 2.93Å; S349-D353 PolarHBondContact O-N 3.42Å; S349-D353 VanDerWaalsContact O-N 3.1Å; Y350-D353 PolarHBondContact O-N 3.17Å; Y350-D353 VanDerWaalsContact O-N 3.11Å; D351-D353 VanDerWaalsContact C-N 3.33Å; D351-D353 PolarHBondContact O-N 3.32Å; D353-A355 VanDerWaalsContact C-N 3.33Å; D353-A355 PolarHBondContact O-N 3.44Å; D353-A356 PolarHBondContact O-N 2.73Å; D353-M357 WeakPolarHBondContact O-CB 3.38Å; D353-M357 WeakPolarHBondContact O-CG 3.44Å; D353-M357 PolarHBondContact O-N 2.88Å
354M73.4Confident69.1Low82 Ų8279.5 Ų79.540%0.40442%0.423SS..Hα-helixtrans-62.3-40.6175.2-71.5-67.495.800112Y350 D351 M357 N358Y350-M354 HydrophobicContact CD1-CG 4.16Å; Y350-M354 HydrophobicContact CE1-CG 3.74Å; Y350-M354 WeakPolarHBondContact O-CG 3.49Å; Y350-M354 PolarHBondContact O-N 3.1Å; D351-M354 PolarHBondContact O-N 2.9Å; M354-M357 HydrophobicContact CE-SD 3.53Å; M354-M357 VanDerWaalsContact CE-SD 3.53Å; M354-N358 WeakPolarHBondContact O-CB 3.27Å; M354-N358 PolarHBondContact O-N 2.94Å; M354-N358 VanDerWaalsContact O-N 3.16Å
355A75.2Confident66.5Low54 Ų5481.1 Ų81.145%0.44644%0.444SS..Hα-helixtrans-66.7-41.2174.900000112.2D351 D353 N358 L359D351-A355 WeakPolarHBondContact O-CB 3.3Å; D351-A355 PolarHBondContact O-N 3.26Å; D353-A355 VanDerWaalsContact C-N 3.33Å; D353-A355 PolarHBondContact O-N 3.44Å; A355-N358 PolarHBondContact O-N 3.34Å; A355-L359 PolarHBondContact O-N 3.5Å
356A66.4Low64.3Low51 Ų5182 Ų8242%0.42147%0.471SS..Hα-helixtrans-66.5-39.7177.800000112.6S352 D353 N358 L359 Q360S352-A356 WeakPolarHBondContact O-CB 3.46Å; S352-A356 PolarHBondContact O-N 3.41Å; D353-A356 PolarHBondContact O-N 2.73Å; A356-N358 VanDerWaalsContact C-N 3.31Å; A356-N358 PolarHBondContact O-N 2.89Å; A356-L359 PolarHBondContact O-N 2.79Å; A356-Q360 PolarHBondContact O-N 3.41Å
357M59.6Low62.1Low127 Ų12786.5 Ų86.563%0.62650%0.495SS*.Hα-helixtrans-61-40.1172.9-79.1-173.216400111.9D353 M354 Q360 S361D353-M357 WeakPolarHBondContact O-CB 3.38Å; D353-M357 WeakPolarHBondContact O-CG 3.44Å; D353-M357 PolarHBondContact O-N 2.88Å; M354-M357 HydrophobicContact CE-SD 3.53Å; M354-M357 VanDerWaalsContact CE-SD 3.53Å; M357-Q360 PolarHBondContact O-N 2.96Å; M357-S361 PolarHBondContact O-N 2.87Å; M357-S361 PolarHBondContact O-OG 3.43Å
358N55Low59.9Low106 Ų10690 Ų9057%0.56752%0.516SS*.Hα-helixtrans-71-30.5177.6-157.5-36.6000112.5M354 A355 A356 S361M354-N358 WeakPolarHBondContact O-CB 3.27Å; M354-N358 PolarHBondContact O-N 2.94Å; M354-N358 VanDerWaalsContact O-N 3.16Å; A355-N358 PolarHBondContact O-N 3.34Å; A356-N358 VanDerWaalsContact C-N 3.31Å; A356-N358 PolarHBondContact O-N 2.89Å; N358-S361 PolarHBondContact O-OG 2.97Å
359L52.8Low57.7Low113 Ų11391.8 Ų91.859%0.59253%0.528SS*.Hα-helixtrans-73.1-36.4173.8-123.183000112.8A355 A356 S361 N362A355-L359 PolarHBondContact O-N 3.5Å; A356-L359 PolarHBondContact O-N 2.79Å; L359-S361 VanDerWaalsContact C-N 3.27Å; L359-S361 PolarHBondContact O-N 3.48Å; L359-N362 PolarHBondContact O-N 2.97Å
360Q43.8Very low55.6Low152 Ų15298.3 Ų98.371%0.7156%0.562SS**Hα-helixtrans-67.7-23.9178.4-90.7179.2-44.600113.5A356 M357 N362A356-Q360 PolarHBondContact O-N 3.41Å; M357-Q360 PolarHBondContact O-N 2.96Å; Q360-N362 PolarHBondContact O-N 3.47Å
361S43.8Very low53.5Low84 Ų8499.4 Ų99.459%0.58758%0.584SS**THydrogen-bonded Turntrans-67.7-16.7168.329.60000114.1M357 N358 L359M357-S361 PolarHBondContact O-N 2.87Å; M357-S361 PolarHBondContact O-OG 3.43Å; N358-S361 PolarHBondContact O-OG 2.97Å; L359-S361 VanDerWaalsContact C-N 3.27Å; L359-S361 PolarHBondContact O-N 3.48Å
362N40.6Very low51.6Low121 Ų121101.1 Ų101.165%0.64759%0.593SS**THydrogen-bonded Turntrans-110.2-1-173.3-70.9-25.7000115L359 Q360L359-N362 PolarHBondContact O-N 2.97Å; Q360-N362 PolarHBondContact O-N 3.47Å
363L40.9Very low49.7Very low126 Ų126101.2 Ų101.266%0.6660%0.604SS**SBendtrans-100.60.7-174-78.6161.8000115
364I41.7Very low48.1Very low92 Ų92105.1 Ų105.147%0.47262%0.624SS.*  trans-136.398170.6-43.2173.8000110.6G366 L367I364-G366 PolarHBondContact O-N 2.69Å; I364-G366 VanDerWaalsContact O-N 3.08Å; I364-L367 HydrophobicContact CB-CB 4.02Å; I364-L367 HydrophobicContact CD1-CB 4.07Å; I364-L367 HydrophobicContact CD1-CD2 3.96Å; I364-L367 HydrophobicContact CG2-CB 3.49Å; I364-L367 VanDerWaalsContact CG2-CB 3.49Å
365P35.6Very low46.2Very low132 Ų132109.5 Ų109.586%0.85764%0.642SS**THydrogen-bonded Turntrans-62.6110.2161.3-1428.4000108.1
366G45.5Very low44.1Very low82 Ų82112.6 Ų112.685%0.84566%0.657SS**THydrogen-bonded Turntrans109.3-0.8172.300000117.4I364I364-G366 PolarHBondContact O-N 2.69Å; I364-G366 VanDerWaalsContact O-N 3.08Å
367L44.5Very low42.5Very low100 Ų100116.5 Ų116.552%0.52468%0.682SS.*  trans-113.891.8172.5-149.389.7000110.4I364 L369I364-L367 HydrophobicContact CB-CB 4.02Å; I364-L367 HydrophobicContact CD1-CB 4.07Å; I364-L367 HydrophobicContact CD1-CD2 3.96Å; I364-L367 HydrophobicContact CG2-CB 3.49Å; I364-L367 VanDerWaalsContact CG2-CB 3.49Å; L367-L369 HydrophobicContact CD2-CD1 4.21Å; L367-L369 PolarHBondContact O-N 3.09Å
368N43.1Very low41.3Very low114 Ų114114.1 Ų114.161%0.6169%0.69SS**  trans-79.6103.9175.4-148.8-35.8000108.1N370 A371N368-N370 PolarHBondContact O-N 2.71Å; N368-A371 HydrophobicContact CB-CB 4.47Å; N368-A371 WeakPolarHBondContact O-CB 3.48Å; N368-A371 PolarHBondContact O-N 3.13Å
369L43.3Very low40.1Very low117 Ų117113.7 Ų113.761%0.61370%0.7SS**G310 helixtrans-60.6-15.6177.6-101.679.2000112.8L367 A371L367-L369 HydrophobicContact CD2-CD1 4.21Å; L367-L369 PolarHBondContact O-N 3.09Å; L369-A371 VanDerWaalsContact C-N 3.27Å; L369-A371 PolarHBondContact O-N 2.68Å
370N38.8Very low39.2Very low144 Ų144113.6 Ų113.677%0.7771%0.707SS**G310 helixtrans-72-16.3171-74.46000113.7N368 L372N368-N370 PolarHBondContact O-N 2.71Å; N370-L372 VanDerWaalsContact C-N 3.34Å
371A41.4Very low38.7Very low86 Ų86109.5 Ų109.571%0.71171%0.705SS**G310 helixtrans-83.7-6.117900000113.8N368 L369N368-A371 HydrophobicContact CB-CB 4.47Å; N368-A371 WeakPolarHBondContact O-CB 3.48Å; N368-A371 PolarHBondContact O-N 3.13Å; L369-A371 VanDerWaalsContact C-N 3.27Å; L369-A371 PolarHBondContact O-N 2.68Å
372L44.8Very low38Very low120 Ų120114.5 Ų114.563%0.62872%0.722SS**G310 helixtrans-99.44.2178.5-71.4171.2000114N370 L374N370-L372 VanDerWaalsContact C-N 3.34Å; L372-L374 VanDerWaalsContact C-N 3.28Å; L372-L374 HydrophobicContact CB-CD1 4.33Å; L372-L374 PolarHBondContact O-N 3.34Å
373G39.2Very low37.6Very low70 Ų70112.3 Ų112.372%0.72273%0.728SS**THydrogen-bonded Turntrans65.220170.900000116.4
374L40.7Very low37.2Very low134 Ų134112.9 Ų112.970%0.70274%0.739SS**  trans-92.26.3-171.1-80.8162.9000115.8L372L372-L374 VanDerWaalsContact C-N 3.28Å; L372-L374 HydrophobicContact CB-CD1 4.33Å; L372-L374 PolarHBondContact O-N 3.34Å
375F34.2Very low36.4Very low174 Ų174113.5 Ų113.576%0.76375%0.751SS**SBendtrans-144.2149.1169.7-68.2-75000111.8S377F375-S377 PolarHBondContact O-N 3.1Å
376P30Very low36Very low120 Ų120115.3 Ų115.378%0.77975%0.75SS**  trans-72.6124.4175.430-32.4000110.4G378P376-G378 PolarHBondContact O-N 2.84Å
377S33.6Very low35.1Very low133 Ų133115.4 Ų115.493%0.9374%0.743SS**  trans-53.8114.7178.2-490000111.6F375F375-S377 PolarHBondContact O-N 3.1Å
378G34.3Very low34.2Very low77 Ų77118.4 Ų118.479%0.79476%0.76SS**  trans-173.741-174.700000117.8P376P376-G378 PolarHBondContact O-N 2.84Å
379A30.9Very low33.4Very low96 Ų96118.9 Ų118.979%0.79377%0.767SS**  trans-148.7127.5158.200000111.3
380P32.3Very low32.8Very low112 Ų112118.7 Ų118.773%0.72778%0.775SS**  trans-91.7145.6-170.835-32.9000113
381G34Very low32.6Very low66 Ų66117.6 Ų117.668%0.6878%0.776SS**  trans114.2102.2159.200000114.4
382M29.7Very low32.3Very low189 Ų189119.8 Ų119.893%0.93178%0.783SS**  trans151.888.8145.9-101.762154.800107.1
383G31.1Very low31.5Very low75 Ų75117.8 Ų117.877%0.77379%0.791SS**  trans-75.6139.5162.100000108.9
384P31.9Very low31Very low137 Ų137119.1 Ų119.189%0.8980%0.795SS**  trans-84.1124.8166.731.7-25.6000108.5
385S25.4Very low30.3Very low105 Ų105122.2 Ų122.273%0.73481%0.806SS**  trans-106.3147.4161.5-163.70000108.6
386M26.8Very low30.1Very low170 Ų170118 Ų11884%0.83781%0.811SS**  trans87.2106.2164.3-63.3-68.6179.400119.6
387A26.6Very low30Very low84 Ų84115.9 Ų115.969%0.69481%0.811SS**  75109.7115.400000118.1
388N25.5Very low29.6Very low164 Ų164115.8 Ų115.888%0.87781%0.809SS**  -144.4136.4125.7-137.911.1000112.6
389V27.2Very low29.1Very low124 Ų124116.3 Ų116.375%0.75280%0.801SS**  trans-75.6138.6-169.8176.30000110.3
390S31.1Very low29Very low112 Ų112122.7 Ų122.778%0.78381%0.806SS**  trans-116132.2162.7-66.80000109
391P34.7Very low28.7Very low122 Ų122121.1 Ų121.179%0.79281%0.81SS**  trans-88.3161.3171.527.9-18.9000112.4
392P34.5Very low28.2Very low132 Ų132124.3 Ų124.386%0.85782%0.821SS**  trans-108.6162.4-152.438.4-29.7000114.4
393G28Very low28.2Very low78 Ų78120.5 Ų120.580%0.80481%0.813SS**  trans135.2108.2147.900000115.4
394A29.1Very low28.7Very low98 Ų98122 Ų12281%0.8181%0.808SS**  162.295.9128.900000111.3
395H26.6Very low28.5Very low199 Ų199126.5 Ų126.592%0.92181%0.809SS**  trans9.8132.7148.8-70.7-83000122.5
396G27.9Very low28.6Very low84 Ų84125 Ų12587%0.86681%0.811SS**  trans86.5133.3135.500000115.2
397G27.9Very low28.9Very low77 Ų77121.7 Ų121.779%0.79481%0.81SS**  cis171.2151.78.500000106.8
398C25.6Very low29Very low131 Ų131126.9 Ų126.989%0.88582%0.82SS**  trans-43.5135.2176.7-59.50000113.6
399S25.2Very low29.5Very low87 Ų87122.9 Ų122.961%0.60882%0.818SS**  82.3130.268.5-155.20000115.8
400Y27.4Very low29.8Very low230 Ų230121.9 Ų121.990%0.90281%0.814SS**  trans90125.8160.7-63.6-72.3000120.9
401G25.9Very low29.9Very low80 Ų80126.7 Ų126.783%0.82582%0.821SS**  trans176.5125.9157.600000112.6
402C24.6Very low30Very low133 Ų133130.7 Ų130.790%0.89982%0.82SS**  trans-86.5164.7-163.4-127.70000115.7
403S28.9Very low29.8Very low109 Ų109128.6 Ų128.676%0.76281%0.814SS**  trans-39.5179.3161.9-98.50000117.5
404P42Very low30Very low105 Ų105130 Ų13068%0.68281%0.812SS**  cis-143.9-174.44.526.11.6000116.8
405Y28.1Very low30Very low233 Ų233133.7 Ų133.791%0.91482%0.815SS**  trans83.3128.5158.1-86.5-86000122.1
406G26.7Very low30.3Very low74 Ų74131.3 Ų131.376%0.76381%0.808SS**  trans116.1108.713900000116.7
407A33.9Very low30.8Very low100 Ų100132.5 Ų132.583%0.82680%0.803SS**  trans-48.3141.7178.200000116.2
408E27.8Very low31.3Very low192 Ų192133.3 Ų133.390%0.89780%0.802SS**  173.2117.4122-92.6-179.8-172.700108.8
409G36.4Very low31.6Very low81 Ų81132.1 Ų132.184%0.83580%0.796SS**  trans-90.6144.3-179.400000112.1
410P33.9Very low32Very low103 Ų103133.8 Ų133.867%0.66981%0.807SS**  trans-123.8117.7154.79.812.4000113.2W412P410-W412 VanDerWaalsContact C-N 3.35Å; P410-W412 PolarHBondContact O-N 3.44Å
411F31.9Very low32.3Very low212 Ų212131.2 Ų131.293%0.9380%0.803SS**SBendtrans58.8-6132.5-152.1-109000122.8
412W36.7Very low32.8Very low206 Ų206133.8 Ų133.878%0.7881%0.805SS**  trans-90.3-8.3171.372.7-91.6000113.9P410 S414P410-W412 VanDerWaalsContact C-N 3.35Å; P410-W412 PolarHBondContact O-N 3.44Å; W412-S414 VanDerWaalsContact C-N 3.3Å; W412-S414 PolarHBondContact O-N 2.97Å
413A31.8Very low33.3Very low88 Ų88135.6 Ų135.673%0.72781%0.805SS**THydrogen-bonded Turntrans-82.617.8-172.900000115.9
414S32.2Very low33.6Very low109 Ų109135.1 Ų135.176%0.76281%0.808SS**THydrogen-bonded Turntrans-12317.1179.4-77.40000115.3W412W412-S414 VanDerWaalsContact C-N 3.3Å; W412-S414 PolarHBondContact O-N 2.97Å
415M29.1Very low33.3Very low174 Ų174133.9 Ų133.986%0.85781%0.814SS**SBendtrans-126.523.3179-146.5177.6-151.700115.3
416L32.8Very low33.6Very low149 Ų149131.2 Ų131.278%0.7881%0.81SS**SBendtrans-123.713.4170-72.8169.1000113.4A418L416-A418 VanDerWaalsContact C-N 3.29Å; L416-A418 PolarHBondContact O-N 3.38Å
417S37.8Very low34.5Very low110 Ų110132.8 Ų132.877%0.76981%0.807SS**  trans-89.825.5175.260.40000114
418A37.8Very low35.7Very low94 Ų94133.8 Ų133.878%0.77779%0.794SS**SBendtrans-133.353-178.400000112.9L416L416-A418 VanDerWaalsContact C-N 3.29Å; L416-A418 PolarHBondContact O-N 3.38Å
419S32.9Very low37.9Very low106 Ų106128.1 Ų128.174%0.74178%0.776SS**  trans-165.465155.251.10000109.8Q421S419-Q421 VanDerWaalsContact C-N 3.27Å; S419-Q421 PolarHBondContact O-N 3.26Å
420S33.5Very low40.2Very low121 Ų121126 Ų12685%0.84674%0.744SS**  trans-67.185.3166.242.60000110.3
421Q33.8Very low42.9Very low177 Ų177123.7 Ų123.783%0.82773%0.728SS**  trans-84.2121.2151.6-78.8-177.8-21.300107.8S419 L423S419-Q421 VanDerWaalsContact C-N 3.27Å; S419-Q421 PolarHBondContact O-N 3.26Å; Q421-L423 PolarHBondContact O-N 2.87Å; Q421-L423 VanDerWaalsContact O-N 3.12Å
422P35.7Very low45.8Very low134 Ų134113.7 Ų113.787%0.8769%0.685SS**  trans-77.2102.1176.629.1-28.8000109.1
423L34.7Very low48.6Very low171 Ų171105.3 Ų105.390%0.89565%0.654SS**  trans-117.3103.8167.5-167.674.4000109.4Q421Q421-L423 PolarHBondContact O-N 2.87Å; Q421-L423 VanDerWaalsContact O-N 3.12Å
424A35.8Very low51.6Low99 Ų99101.1 Ų101.182%0.81862%0.619SS**SBendtrans139.5101.7157.400000109.5
425G35.9Very low54.5Low78 Ų7897.6 Ų97.680%0.80459%0.59SS**  trans-59.5137-179.300000111.9
426Q34.3Very low57.6Low178 Ų17889.3 Ų89.383%0.83255%0.549SS*.  trans-54.8144160.2-66.5-164.1-25.200108.6E428Q426-E428 PolarHBondContact O-N 3.14Å
427P45.9Very low60.3Low107 Ų10783.9 Ų83.970%0.69552%0.523SS*.  trans-58.8112169.723.7-30.1000107.6S429P427-S429 PolarHBondContact O-N 3.31Å
428E60.1Low62.6Low120 Ų12080.6 Ų80.656%0.56150%0.503SS*.  trans-57.3105.9173.8-79.7-167.1177.100107.1Q426 E430 R585Q426-E428 PolarHBondContact O-N 3.14Å; E428-E430 PolarHBondContact O-N 2.88Å; E428-R585 IonicContact OE1-NH1 3.37Å; E428-R585 PolarHBondContact OE1-NH1 2.84Å; E428-R585 VanDerWaalsContact OE1-NH1 3.1Å; E428-R585 IonicContact OE2-CZ 2.7Å; E428-R585 IonicContact OE2-NH1 2.86Å; E428-R585 PolarHBondContact OE2-NH1 3.37Å
429S72.3Confident64.9Low74 Ų7483.4 Ų83.452%0.51750%0.504SS..  trans-80.4109.3177.3177.10000107.8P427 V481P427-S429 PolarHBondContact O-N 3.31Å; S429-V481 VanDerWaalsContact OG-CG1 3.27Å; S429-V481 WeakPolarHBondContact OG-CG1 3.48Å
430E84.8Confident67.5Low37 Ų3778.4 Ų78.417%0.17347%0.469CS..EExtended strand (participates in β ladder)trans-89.1161.4178.2-68.4-178.5-165.900110.4E428 V481 G482 Q487 Q578E428-E430 PolarHBondContact O-N 2.88Å; E430-V481 WeakPolarHBondContact O-CA 3.37Å; E430-G482 PolarHBondContact N-O 2.85Å; E430-G482 VanDerWaalsContact N-O 3.1Å; E430-G482 PolarHBondContact O-N 2.62Å; E430-Q487 PolarHBondContact O-NE2 3.3Å; E430-Q578 PolarHBondContact OE1-NE2 3.31Å; E430-Q578 PolarHBondContact OE2-NE2 3.42Å
431T90.5Very high70.1Confident54 Ų5473.2 Ų73.233%0.33143%0.432SS..EExtended strand (participates in β ladder)trans-124.2128.4174.3-57.80000110.3H433 I479 I480 V481T431-H433 WeakPolarHBondContact CG2-NE2 3.42Å; T431-I479 HydrophobicContact CG2-CG2 3.95Å; T431-I480 WeakPolarHBondContact CA-O 3.27Å; T431-V481 HydrophobicContact CG2-CG2 3.95Å
432V93.4Very high72.6Confident2 Ų267.2 Ų67.21%0.01242%0.417CS..EExtended strand (participates in β ladder)trans-119.7132.7172.6177.60000108.8I480 A514 I516V432-I480 PolarHBondContact N-O 3.49Å; V432-I480 PolarHBondContact O-N 2.95Å; V432-A514 HydrophobicContact CG1-CB 4.15Å; V432-I516 HydrophobicContact CG1-CG2 4.37Å; V432-I516 HydrophobicContact CG2-CG2 4Å
433H94.8Very high75Confident29 Ų2961.8 Ų61.813%0.13438%0.384CS..EExtended strand (participates in β ladder)trans-103.8106.5175-64.7172.2000109T431 F435 M477 V478 A514 H515T431-H433 WeakPolarHBondContact CG2-NE2 3.42Å; H433-F435 HydrophobicContact CB-CE2 4.37Å; H433-M477 HydrophobicContact CB-CG 3.95Å; H433-M477 HydrophobicContact CB-SD 3.72Å; H433-V478 CarbonylContact C-O 3.42Å; H433-V478 WeakPolarHBondContact CA-O 3.49Å; H433-A514 CarbonylContact O-C 3.58Å; H433-A514 WeakPolarHBondContact O-CA 3.33Å; H433-H515 HydrophobicContact CB-CB 3.99Å; H433-H515 PolarHBondContact N-O 2.91Å; H433-H515 PolarHBondContact O-N 3.26Å
434L94.9Very high77.7Confident1 Ų153.7 Ų53.71%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-100.2129.7-177.5-174.470.9000110.7I436 M477 V478 I480 Q491 I494 F495 L512 A514L434-I436 HydrophobicContact CD2-CG2 4.4Å; L434-I436 HydrophobicContact CG-CG2 4.45Å; L434-M477 CarbonylContact O-C 3.55Å; L434-V478 HydrophobicContact CB-CB 4.39Å; L434-V478 PolarHBondContact N-O 3.11Å; L434-V478 PolarHBondContact O-N 2.99Å; L434-I480 HydrophobicContact CB-CD1 4.38Å; L434-I480 HydrophobicContact CD2-CD1 4.41Å; L434-Q491 HydrophobicContact CD2-CG 4.41Å; L434-I494 HydrophobicContact CD2-CB 4.28Å; L434-I494 HydrophobicContact CD2-CD1 4.1Å; L434-I494 HydrophobicContact CD2-CG2 3.81Å; L434-F495 HydrophobicContact CD1-CE2 4.16Å; L434-L512 HydrophobicContact CD1-CB 3.92Å; L434-L512 HydrophobicContact CD1-CD1 4Å; L434-L512 HydrophobicContact CD2-CD1 3.89Å; L434-L512 HydrophobicContact CG-CD1 4.08Å; L434-A514 HydrophobicContact CD1-CB 4.01Å
435F93.8Very high80.2Confident34 Ų3451.8 Ų51.815%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-97.5120-179.8-68.3-99.9000110.2H433 Q475 M477 E513 H515H433-F435 HydrophobicContact CB-CE2 4.37Å; F435-Q475 HydrophobicContact CD1-CB 4.48Å; F435-M477 HydrophobicContact CD1-CB 4.33Å; F435-M477 HydrophobicContact CE1-CB 3.96Å; F435-M477 HydrophobicContact CE1-CG 4.34Å; F435-M477 HydrophobicContact CE2-CG 4.37Å; F435-M477 HydrophobicContact CE2-SD 4.45Å; F435-M477 HydrophobicContact CZ-CB 4.2Å; F435-M477 HydrophobicContact CZ-CG 4.07Å; F435-M477 HydrophobicContact CZ-SD 3.91Å; F435-E513 HydrophobicContact CB-CB 4.35Å; F435-E513 PolarHBondContact N-O 2.82Å; F435-H515 AromaticContact CD2-NE2 3.92Å; F435-H515 HydrophobicContact CE2-CB 4.08Å; F435-H515 AromaticContact CE2-CD2 3.62Å; F435-H515 AromaticContact CE2-CE1 3.25Å; F435-H515 WeakPolarHBondContact CE2-CE1 3.41Å; F435-H515 AromaticContact CE2-CG 3.47Å; F435-H515 VanDerWaalsContact CE2-CG 3.47Å; F435-H515 AromaticContact CE2-ND1 3.26Å; F435-H515 VanDerWaalsContact CE2-ND1 3.26Å; F435-H515 WeakPolarHBondContact CE2-ND1 3.34Å; F435-H515 AromaticContact CE2-NE2 3.48Å; F435-H515 WeakPolarHBondContact CE2-NE2 3.37Å; F435-H515 AromaticContact CZ-CE1 3.41Å; F435-H515 VanDerWaalsContact CZ-CE1 3.41Å; F435-H515 WeakPolarHBondContact CZ-CE1 3.42Å; F435-H515 AromaticContact CZ-ND1 3.54Å
436I93.1Very high82.5Confident0 Ų049.1 Ų49.10%029%0.289CS..EExtended strand (participates in β ladder)trans-115.6153.4178.264172.7000110.9L434 A438 V441 I444 Q475 R476 V478 I494 L498 L512L434-I436 HydrophobicContact CD2-CG2 4.4Å; L434-I436 HydrophobicContact CG-CG2 4.45Å; I436-A438 PolarHBondContact O-N 3.48Å; I436-V441 HydrophobicContact CD1-CG2 3.87Å; I436-V441 HydrophobicContact CG1-CG2 4.1Å; I436-I444 HydrophobicContact CD1-CB 4.34Å; I436-I444 HydrophobicContact CD1-CG1 3.83Å; I436-Q475 CarbonylContact O-C 3.54Å; I436-Q475 VanDerWaalsContact O-CA 3.27Å; I436-Q475 WeakPolarHBondContact O-CA 3.46Å; I436-R476 HydrophobicContact CG1-CB 4.34Å; I436-R476 PolarHBondContact N-O 3.42Å; I436-R476 PolarHBondContact O-N 3.43Å; I436-V478 HydrophobicContact CD1-CG2 3.64Å; I436-V478 HydrophobicContact CG1-CG2 3.84Å; I436-V478 HydrophobicContact CG2-CG2 4.23Å; I436-I494 HydrophobicContact CG2-CG2 3.93Å; I436-L498 HydrophobicContact CB-CD1 4.44Å; I436-L498 HydrophobicContact CG2-CD1 4.07Å; I436-L512 HydrophobicContact CG2-CD1 4.14Å; I436-L512 HydrophobicContact CG2-CD2 4.48Å
437P89.7Confident84.9Confident35 Ų3549.6 Ų49.623%0.22729%0.289CS..EExtended strand (participates in β ladder)trans-56.4136.5173-24.434.3000111.7L439 A440 F504P437-L439 PolarHBondContact O-N 3.27Å; P437-A440 HydrophobicContact CB-CB 4.38Å; P437-A440 WeakPolarHBondContact O-CB 3.38Å; P437-A440 PolarHBondContact O-N 3.37Å; P437-F504 HydrophobicContact CG-CZ 4.18Å
438A86.9Confident86.5Confident41 Ų4153 Ų5334%0.33930%0.295SS..G310 helixtrans-57.9-35.9-177.100000112.8I436 A440 V441 A473 K474I436-A438 PolarHBondContact O-N 3.48Å; A438-A440 PolarHBondContact O-N 3.39Å; A438-V441 WeakPolarHBondContact O-CB 3.5Å; A438-V441 WeakPolarHBondContact O-CG2 3.45Å; A438-V441 PolarHBondContact O-N 3.28Å; A438-A473 WeakPolarHBondContact CB-O 3.33Å; A438-K474 PolarHBondContact N-O 2.97Å
439L86.8Confident87.7Confident154 Ų15447.8 Ų47.881%0.80627%0.274SS*.G310 helixtrans-61.7-27.5176-63.4175.7000113.1P437 F503P437-L439 PolarHBondContact O-N 3.27Å; L439-F503 HydrophobicContact CB-CD1 4.45Å; L439-F503 HydrophobicContact CB-CE1 4.01Å
440A87.2Confident88.3Confident0 Ų049.6 Ų49.60%028%0.275CS..G310 helixtrans-89.1-10.6-176.400000114.2P437 A438 G442 A443 I444 L498 F503P437-A440 HydrophobicContact CB-CB 4.38Å; P437-A440 WeakPolarHBondContact O-CB 3.38Å; P437-A440 PolarHBondContact O-N 3.37Å; A438-A440 PolarHBondContact O-N 3.39Å; A440-G442 VanDerWaalsContact C-N 3.26Å; A440-G442 PolarHBondContact O-N 3.49Å; A440-A443 PolarHBondContact O-N 3.22Å; A440-A443 VanDerWaalsContact O-N 3.1Å; A440-I444 WeakPolarHBondContact O-CG1 3.49Å; A440-I444 PolarHBondContact O-N 2.82Å; A440-I444 VanDerWaalsContact O-N 3.16Å; A440-L498 HydrophobicContact CB-CD2 3.18Å; A440-F503 VanDerWaalsContact CA-CZ 3.43Å; A440-F503 HydrophobicContact CB-CD1 4.1Å; A440-F503 HydrophobicContact CB-CD2 3.66Å; A440-F503 HydrophobicContact CB-CE1 3.98Å; A440-F503 HydrophobicContact CB-CE2 3.51Å; A440-F503 HydrophobicContact CB-CG 3.97Å; A440-F503 HydrophobicContact CB-CZ 3.71Å
441V88.9Confident88.3Confident13 Ų1349.2 Ų49.28%0.07927%0.272CS..Hα-helixtrans-56.9-41.3179.9174.20000111.3I436 A438 A443 I444 I445 I465 R476I436-V441 HydrophobicContact CD1-CG2 3.87Å; I436-V441 HydrophobicContact CG1-CG2 4.1Å; A438-V441 WeakPolarHBondContact O-CB 3.5Å; A438-V441 WeakPolarHBondContact O-CG2 3.45Å; A438-V441 PolarHBondContact O-N 3.28Å; V441-A443 VanDerWaalsContact C-N 3.31Å; V441-A443 PolarHBondContact O-N 3.03Å; V441-I444 PolarHBondContact O-N 3.36Å; V441-I445 HydrophobicContact CG1-CD1 3.55Å; V441-I445 HydrophobicContact CG1-CG1 4.16Å; V441-I445 VanDerWaalsContact O-CG1 3.29Å; V441-I445 WeakPolarHBondContact O-CG1 3.33Å; V441-I445 PolarHBondContact O-N 3.11Å; V441-I465 HydrophobicContact CG1-CD1 4.05Å; V441-I465 HydrophobicContact CG1-CG2 4.09Å; V441-R476 HydrophobicContact CG2-CB 3.4Å; V441-R476 HydrophobicContact CG2-CG 3.63Å
442G86.1Confident88.2Confident50 Ų5047.9 Ų47.952%0.51526%0.263SS..Hα-helixtrans-59.7-39.5178.200000113.2A440 G446A440-G442 VanDerWaalsContact C-N 3.26Å; A440-G442 PolarHBondContact O-N 3.49Å; G442-G446 PolarHBondContact O-N 3.5Å
443A86.1Confident88Confident21 Ų2154.9 Ų54.917%0.17429%0.294CS..Hα-helixtrans-71.7-34.5178.400000112.8A440 V441 H451 E501 F503A440-A443 PolarHBondContact O-N 3.22Å; A440-A443 VanDerWaalsContact O-N 3.1Å; V441-A443 VanDerWaalsContact C-N 3.31Å; V441-A443 PolarHBondContact O-N 3.03Å; A443-H451 PolarHBondContact O-ND1 2.95Å; A443-E501 HydrophobicContact CB-CG 3.94Å; A443-F503 HydrophobicContact CB-CE2 4.1Å; A443-F503 HydrophobicContact CB-CZ 4.43Å
444I90Very high87.6Confident1 Ų159.4 Ų59.41%0.00532%0.315CS..Hα-helixtrans-71.2-40.8174.9-58.4-54.4000111.3I436 A440 V441 I452 I465 I494 K497 L498I436-I444 HydrophobicContact CD1-CB 4.34Å; I436-I444 HydrophobicContact CD1-CG1 3.83Å; A440-I444 WeakPolarHBondContact O-CG1 3.49Å; A440-I444 PolarHBondContact O-N 2.82Å; A440-I444 VanDerWaalsContact O-N 3.16Å; V441-I444 PolarHBondContact O-N 3.36Å; I444-I452 PolarHBondContact O-N 3.06Å; I444-I465 HydrophobicContact CG2-CD1 4.32Å; I444-I494 HydrophobicContact CD1-CG2 4.12Å; I444-I494 HydrophobicContact CG2-CG1 4.45Å; I444-K497 HydrophobicContact CD1-CB 3.77Å; I444-K497 HydrophobicContact CD1-CG 3.81Å; I444-L498 HydrophobicContact CD1-CD2 4.19Å; I444-L498 HydrophobicContact CD1-CG 4.4Å; I444-L498 HydrophobicContact CG1-CD2 4.41Å
445I88.8Confident87.3Confident59 Ų5959.6 Ų59.630%0.30332%0.316SS..Hα-helixtrans-68.2-46.4176.4-65.5174.3000110.8V441 G449 H451 I452 I465V441-I445 HydrophobicContact CG1-CD1 3.55Å; V441-I445 HydrophobicContact CG1-CG1 4.16Å; V441-I445 VanDerWaalsContact O-CG1 3.29Å; V441-I445 WeakPolarHBondContact O-CG1 3.33Å; V441-I445 PolarHBondContact O-N 3.11Å; I445-G449 CarbonylContact O-C 3.48Å; I445-G449 VanDerWaalsContact O-C 3.31Å; I445-G449 VanDerWaalsContact O-CA 3.27Å; I445-G449 WeakPolarHBondContact O-CA 3.5Å; I445-H451 WeakPolarHBondContact O-CB 3.39Å; I445-H451 PolarHBondContact O-N 2.97Å; I445-H451 VanDerWaalsContact O-N 3.17Å; I445-I452 HydrophobicContact CG2-CG2 4.34Å; I445-I452 PolarHBondContact O-N 3.35Å; I445-I452 VanDerWaalsContact O-N 3.1Å; I445-I465 HydrophobicContact CD1-CD1 3.95Å; I445-I465 HydrophobicContact CG1-CD1 3.45Å; I445-I465 VanDerWaalsContact CG1-CD1 3.45Å
446G84.2Confident87.1Confident21 Ų2159.7 Ų59.722%0.21632%0.321CS..  trans74.5171.4-173.500000113.6G442 Q448 G449G442-G446 PolarHBondContact O-N 3.5Å; G446-Q448 PolarHBondContact O-N 2.97Å; G446-G449 PolarHBondContact O-N 2.78Å
447K84.2Confident86.8Confident189 Ų18967.7 Ų67.782%0.82236%0.357SS*.G310 helixtrans-57125.4179-64.2-178.4-178.7178.80110G449 Q450K447-G449 PolarHBondContact O-N 3.09Å; K447-G449 VanDerWaalsContact O-N 3.07Å; K447-Q450 WeakPolarHBondContact O-CB 3.41Å; K447-Q450 PolarHBondContact O-N 2.89Å
448Q80.3Confident86.6Confident177 Ų17772.7 Ų72.783%0.82738%0.376SS*.G310 helixtrans54.522.2-176.8-57.4178.3-7.900115G446 Q450G446-Q448 PolarHBondContact O-N 2.97Å; Q448-Q450 VanDerWaalsContact C-N 3.28Å; Q448-Q450 PolarHBondContact O-N 2.91Å
449G84.5Confident86.5Confident12 Ų1271 Ų7112%0.12436%0.361CS..G310 helixtrans72.815.4-176.300000114.7I445 G446 K447 H451 I452 K453I445-G449 CarbonylContact O-C 3.48Å; I445-G449 VanDerWaalsContact O-C 3.31Å; I445-G449 VanDerWaalsContact O-CA 3.27Å; I445-G449 WeakPolarHBondContact O-CA 3.5Å; G446-G449 PolarHBondContact O-N 2.78Å; K447-G449 PolarHBondContact O-N 3.09Å; K447-G449 VanDerWaalsContact O-N 3.07Å; G449-H451 PolarHBondContact O-N 3.23Å; G449-I452 VanDerWaalsContact O-CG2 3.3Å; G449-I452 WeakPolarHBondContact O-CG2 3.49Å; G449-K453 VanDerWaalsContact O-CG 3.29Å; G449-K453 WeakPolarHBondContact O-CG 3.41Å; G449-K453 PolarHBondContact O-N 3.29Å
450Q85.3Confident86.5Confident112 Ų11266.3 Ų66.352%0.52335%0.351SS..Hα-helixtrans-62.1-41.7179.9-78-171.31.200112.4K447 Q448 K453 Q454K447-Q450 WeakPolarHBondContact O-CB 3.41Å; K447-Q450 PolarHBondContact O-N 2.89Å; Q448-Q450 VanDerWaalsContact C-N 3.28Å; Q448-Q450 PolarHBondContact O-N 2.91Å; Q450-K453 PolarHBondContact O-N 2.99Å; Q450-Q454 WeakPolarHBondContact O-CG 3.29Å; Q450-Q454 PolarHBondContact O-N 3.3Å
451H84.8Confident86.7Confident28 Ų2866.5 Ų66.513%0.1335%0.353CS..Hα-helixtrans-68.7-45.6-174.2-171.8-166.4000111.4A443 I445 G449 K453 Q454 L455A443-H451 PolarHBondContact O-ND1 2.95Å; I445-H451 WeakPolarHBondContact O-CB 3.39Å; I445-H451 PolarHBondContact O-N 2.97Å; I445-H451 VanDerWaalsContact O-N 3.17Å; G449-H451 PolarHBondContact O-N 3.23Å; H451-K453 VanDerWaalsContact C-N 3.3Å; H451-K453 PolarHBondContact O-N 2.86Å; H451-Q454 PolarHBondContact O-N 3.29Å; H451-L455 WeakPolarHBondContact O-CB 3.36Å; H451-L455 PolarHBondContact O-N 2.78Å
452I89.1Confident86.9Confident26 Ų2668.5 Ų68.513%0.13337%0.367CS..Hα-helixtrans-64.1-34.5177.4-171168.9000112.5I444 I445 G449 S456 I463 I465I444-I452 PolarHBondContact O-N 3.06Å; I445-I452 HydrophobicContact CG2-CG2 4.34Å; I445-I452 PolarHBondContact O-N 3.35Å; I445-I452 VanDerWaalsContact O-N 3.1Å; G449-I452 VanDerWaalsContact O-CG2 3.3Å; G449-I452 WeakPolarHBondContact O-CG2 3.49Å; I452-S456 VanDerWaalsContact O-CB 3.28Å; I452-S456 WeakPolarHBondContact O-CB 3.44Å; I452-S456 PolarHBondContact O-N 3.28Å; I452-I463 HydrophobicContact CD1-CG2 4.14Å; I452-I463 HydrophobicContact CG1-CB 4.43Å; I452-I463 HydrophobicContact CG1-CG2 4.2Å; I452-I465 HydrophobicContact CD1-CD1 3.95Å; I452-I465 HydrophobicContact CD1-CG1 3.8Å
453K88.8Confident87.3Confident150 Ų15066.8 Ų66.865%0.65235%0.346SS*.Hα-helixtrans-66.1-46.8174.3-73.8175.1-179.2177.70111.7G449 Q450 H451 L455 S456 H457G449-K453 VanDerWaalsContact O-CG 3.29Å; G449-K453 WeakPolarHBondContact O-CG 3.41Å; G449-K453 PolarHBondContact O-N 3.29Å; Q450-K453 PolarHBondContact O-N 2.99Å; H451-K453 VanDerWaalsContact C-N 3.3Å; H451-K453 PolarHBondContact O-N 2.86Å; K453-L455 VanDerWaalsContact C-N 3.33Å; K453-S456 PolarHBondContact O-N 3.39Å; K453-H457 WeakPolarHBondContact O-CB 3.3Å; K453-H457 PolarHBondContact O-N 2.86Å
454Q86.5Confident87.6Confident124 Ų12472.2 Ų72.258%0.57937%0.366SS*.Hα-helixtrans-61.7-43175.4-74.3175.2-800111.6Q450 H451 H457 F458Q450-Q454 WeakPolarHBondContact O-CG 3.29Å; Q450-Q454 PolarHBondContact O-N 3.3Å; H451-Q454 PolarHBondContact O-N 3.29Å; Q454-H457 PolarHBondContact O-N 3.14Å; Q454-F458 VanDerWaalsContact O-CB 3.3Å; Q454-F458 WeakPolarHBondContact O-CB 3.4Å; Q454-F458 PolarHBondContact O-N 2.95Å
455L88.1Confident87.7Confident5 Ų574 Ų743%0.02637%0.374CS..Hα-helixtrans-60.7-47.2176.7172.462.7000111.6H451 K453 H457 F458 A459 I463 R493 I494H451-L455 WeakPolarHBondContact O-CB 3.36Å; H451-L455 PolarHBondContact O-N 2.78Å; K453-L455 VanDerWaalsContact C-N 3.33Å; L455-H457 VanDerWaalsContact C-N 3.35Å; L455-H457 PolarHBondContact O-N 2.93Å; L455-F458 PolarHBondContact O-N 2.78Å; L455-A459 VanDerWaalsContact O-CB 3.23Å; L455-A459 WeakPolarHBondContact O-CB 3.46Å; L455-A459 PolarHBondContact O-N 3.4Å; L455-I463 HydrophobicContact CD1-CD1 4.39Å; L455-I463 HydrophobicContact CD2-CD1 3.81Å; L455-I463 HydrophobicContact CG-CD1 3.54Å; L455-R493 HydrophobicContact CD1-CB 3.43Å; L455-R493 VanDerWaalsContact CD1-CB 3.43Å; L455-R493 HydrophobicContact CD1-CG 3.38Å; L455-I494 HydrophobicContact CD2-CD1 4.38Å; L455-I494 HydrophobicContact CD2-CG1 3.88Å
456S89.3Confident87.7Confident36 Ų3671.6 Ų71.625%0.25236%0.364SS..Hα-helixtrans-60.8-43.5177.2176.70000111.5I452 K453 G460 A461I452-S456 VanDerWaalsContact O-CB 3.28Å; I452-S456 WeakPolarHBondContact O-CB 3.44Å; I452-S456 PolarHBondContact O-N 3.28Å; K453-S456 PolarHBondContact O-N 3.39Å; S456-G460 PolarHBondContact O-N 3.1Å; S456-A461 WeakPolarHBondContact CA-O 3.39Å; S456-A461 WeakPolarHBondContact CB-O 3.27Å; S456-A461 PolarHBondContact O-N 2.77Å; S456-A461 PolarHBondContact OG-O 2.97Å
457H87.4Confident87.6Confident167 Ų16775.6 Ų75.677%0.77339%0.386SS*.Hα-helixtrans-65.3-46.7176.6-174.772.6000112.5K453 Q454 L455 G460K453-H457 WeakPolarHBondContact O-CB 3.3Å; K453-H457 PolarHBondContact O-N 2.86Å; Q454-H457 PolarHBondContact O-N 3.14Å; L455-H457 VanDerWaalsContact C-N 3.35Å; L455-H457 PolarHBondContact O-N 2.93Å; H457-G460 PolarHBondContact O-N 2.92Å
458F84.9Confident87.1Confident141 Ų14168.7 Ų68.762%0.61836%0.364SS*.Hα-helixtrans-63.6-43178.8171.7-97.6000112.6Q454 L455 G460 K489Q454-F458 VanDerWaalsContact O-CB 3.3Å; Q454-F458 WeakPolarHBondContact O-CB 3.4Å; Q454-F458 PolarHBondContact O-N 2.95Å; L455-F458 PolarHBondContact O-N 2.78Å; F458-G460 VanDerWaalsContact C-N 3.31Å; F458-K489 HydrophobicContact CE1-CB 4.48Å
459A84.3Confident86.5Confident4 Ų468.3 Ų68.33%0.03336%0.362CS..Hα-helixtrans-73-2618000000112.2L455 A461 A486 K489 A490L455-A459 VanDerWaalsContact O-CB 3.23Å; L455-A459 WeakPolarHBondContact O-CB 3.46Å; L455-A459 PolarHBondContact O-N 3.4Å; A459-A461 HydrophobicContact CB-CB 4.08Å; A459-A486 WeakPolarHBondContact O-CA 3.3Å; A459-A486 WeakPolarHBondContact O-CB 3.34Å; A459-K489 HydrophobicContact CB-CB 4.1Å; A459-A490 HydrophobicContact CB-CB 3.85Å
460G87.9Confident85.3Confident56 Ų5670.3 Ų70.358%0.57738%0.383SS*.THydrogen-bonded Turntrans67.428.2-166.800000112.2S456 H457 F458S456-G460 PolarHBondContact O-N 3.1Å; H457-G460 PolarHBondContact O-N 2.92Å; F458-G460 VanDerWaalsContact C-N 3.31Å
461A91.9Very high83.8Confident5 Ų574.3 Ų74.34%0.04140%0.404CS..SBendtrans-121.5147.8-178.400000110.8S456 A459 I463 I480 V481 A486 A490S456-A461 WeakPolarHBondContact CA-O 3.39Å; S456-A461 WeakPolarHBondContact CB-O 3.27Å; S456-A461 PolarHBondContact O-N 2.77Å; S456-A461 PolarHBondContact OG-O 2.97Å; A459-A461 HydrophobicContact CB-CB 4.08Å; A461-I463 HydrophobicContact CB-CG1 4.26Å; A461-I480 HydrophobicContact CB-CG2 4.15Å; A461-V481 CarbonylContact C-O 3.48Å; A461-V481 WeakPolarHBondContact CA-O 3.3Å; A461-A486 HydrophobicContact CB-CB 3.95Å; A461-A490 HydrophobicContact CB-CB 4.38Å
462S92.9Very high82.4Confident55 Ų5580.3 Ų80.339%0.38544%0.437SS..EExtended strand (participates in β ladder)trans-80.8117.2167-166.20000109.2I480 V481S462-I480 WeakPolarHBondContact O-CA 3.32Å; S462-V481 PolarHBondContact N-O 2.95Å; S462-V481 PolarHBondContact O-N 3.48Å
463I93.9Very high81.5Confident13 Ų1380.4 Ų80.47%0.06744%0.442CS..EExtended strand (participates in β ladder)trans-118.7119.1-177.6-55.6169.4000108.2I452 L455 A461 V478 I479 I480 A490I452-I463 HydrophobicContact CD1-CG2 4.14Å; I452-I463 HydrophobicContact CG1-CB 4.43Å; I452-I463 HydrophobicContact CG1-CG2 4.2Å; L455-I463 HydrophobicContact CD1-CD1 4.39Å; L455-I463 HydrophobicContact CD2-CD1 3.81Å; L455-I463 HydrophobicContact CG-CD1 3.54Å; A461-I463 HydrophobicContact CB-CG1 4.26Å; I463-V478 HydrophobicContact CG2-CG1 3.64Å; I463-I479 WeakPolarHBondContact CA-O 3.29Å; I463-I480 HydrophobicContact CG1-CG2 4.37Å; I463-I480 HydrophobicContact CG2-CG1 4.49Å; I463-A490 HydrophobicContact CD1-CB 3.7Å; I463-A490 HydrophobicContact CG1-CB 4.32Å
464K92.9Very high81.1Confident136 Ų13682.3 Ų82.359%0.59145%0.45SS*.EExtended strand (participates in β ladder)trans-126.2144.3178.8-63.5-179-178177.70109.4V478 I479K464-V478 CarbonylContact O-C 3.57Å; K464-V478 WeakPolarHBondContact O-CA 3.44Å; K464-I479 HydrophobicContact CB-CB 4.45Å; K464-I479 PolarHBondContact N-O 3.5Å; K464-I479 PolarHBondContact O-N 3.23Å
465I91.7Very high81.2Confident37 Ų3781 Ų8119%0.1944%0.444CS..EExtended strand (participates in β ladder)trans-106.2123.5175-57.1-173000107.8V441 I444 I445 I452 R476 V478V441-I465 HydrophobicContact CG1-CD1 4.05Å; V441-I465 HydrophobicContact CG1-CG2 4.09Å; I444-I465 HydrophobicContact CG2-CD1 4.32Å; I445-I465 HydrophobicContact CD1-CD1 3.95Å; I445-I465 HydrophobicContact CG1-CD1 3.45Å; I445-I465 VanDerWaalsContact CG1-CD1 3.45Å; I452-I465 HydrophobicContact CD1-CD1 3.95Å; I452-I465 HydrophobicContact CD1-CG1 3.8Å; I465-R476 HydrophobicContact CG2-CG 3.62Å; I465-V478 HydrophobicContact CG1-CG1 4.41Å; I465-V478 HydrophobicContact CG1-CG2 4.26Å
466A88.1Confident81.2Confident10 Ų1084.6 Ų84.68%0.08346%0.457CS..PPolyproline II helixtrans-67.3154.6179.300000111R476 M477A466-R476 PolarHBondContact O-NE 2.85Å; A466-R476 PolarHBondContact O-NH2 3.39Å; A466-M477 HydrophobicContact CB-CB 4.06Å; A466-M477 HydrophobicContact CB-CE 3.81Å; A466-M477 WeakPolarHBondContact CB-O 3.34Å; A466-M477 PolarHBondContact N-O 2.84Å
467P82.4Confident81.4Confident104 Ų10484.6 Ų84.668%0.67545%0.453SS*.PPolyproline II helixtrans-53.3154165.5-22.734.2000111.4E469P467-E469 PolarHBondContact O-N 2.96Å
468A74.9Confident81.7Confident44 Ų4476.6 Ų76.636%0.36442%0.417SS..PPolyproline II helixtrans-68.4129.8172.200000109.1G470 A473 R476A468-G470 PolarHBondContact O-N 3.47Å; A468-G470 VanDerWaalsContact O-N 3.12Å; A468-A473 HydrophobicContact CB-CB 4.19Å; A468-R476 VanDerWaalsContact N-CZ 3.29Å
469E67Low82.2Confident170 Ų17072 Ų7279%0.79440%0.398SS*.SBendtrans-81.685.9173.3-68.8-175.6174.700108.9P467P467-E469 PolarHBondContact O-N 2.96Å
470G58.7Low82.7Confident53 Ų5371.9 Ų71.955%0.54640%0.397SS..SBendtrans95.7164.1178.800000115.2A468 D472A468-G470 PolarHBondContact O-N 3.47Å; A468-G470 VanDerWaalsContact O-N 3.12Å; G470-D472 VanDerWaalsContact C-N 3.27Å; G470-D472 PolarHBondContact O-N 3.24Å
471M54.3Low82.9Confident197 Ų19771.3 Ų71.397%0.9738%0.382SS*.THydrogen-bonded Turntrans-67.3-20.5-176-93.1167.960.900114.2
472D55.8Low82.9Confident153 Ų15371.3 Ų71.382%0.81838%0.382SS*.THydrogen-bonded Turntrans-117.725.8-176.2-74.6-50.9000114G470 K474G470-D472 VanDerWaalsContact C-N 3.27Å; G470-D472 PolarHBondContact O-N 3.24Å; D472-K474 PolarHBondContact O-N 3.41Å
473A70.1Confident82.7Confident29 Ų2971.2 Ų71.224%0.2438%0.38CS..  trans-65105-179.800000111.5A438 A468 Q475A438-A473 WeakPolarHBondContact CB-O 3.33Å; A468-A473 HydrophobicContact CB-CB 4.19Å; A473-Q475 PolarHBondContact O-N 2.92Å
474K80.6Confident82.3Confident190 Ų19074 Ų7483%0.82640%0.399SS*.SBendtrans-66-23.2176.2-65.5-178.1-179.2178.40112.9A438 D472A438-K474 PolarHBondContact N-O 2.97Å; D472-K474 PolarHBondContact O-N 3.41Å
475Q87.4Confident82Confident97 Ų9774.6 Ų74.645%0.45340%0.404SS..EExtended strand (participates in β ladder)trans-126.7155.9-179.1-68-178.2-22.300111.1F435 I436 A473F435-Q475 HydrophobicContact CD1-CB 4.48Å; I436-Q475 CarbonylContact O-C 3.54Å; I436-Q475 VanDerWaalsContact O-CA 3.27Å; I436-Q475 WeakPolarHBondContact O-CA 3.46Å; A473-Q475 PolarHBondContact O-N 2.92Å
476R89.8Confident81.9Confident79 Ų7973 Ų7330%0.29840%0.397SS..EExtended strand (participates in β ladder)trans-128.8134.3178.9-161.3106.7179.5-164.70.3109.2I436 V441 I465 A466 A468I436-R476 HydrophobicContact CG1-CB 4.34Å; I436-R476 PolarHBondContact N-O 3.42Å; I436-R476 PolarHBondContact O-N 3.43Å; V441-R476 HydrophobicContact CG2-CB 3.4Å; V441-R476 HydrophobicContact CG2-CG 3.63Å; I465-R476 HydrophobicContact CG2-CG 3.62Å; A466-R476 PolarHBondContact O-NE 2.85Å; A466-R476 PolarHBondContact O-NH2 3.39Å; A468-R476 VanDerWaalsContact N-CZ 3.29Å
477M91.8Very high82Confident36 Ų3672.8 Ų72.818%0.17739%0.394CS..EExtended strand (participates in β ladder)trans-84.3129.4179.9-177.6173.261.600111.2H433 L434 F435 A466 I479H433-M477 HydrophobicContact CB-CG 3.95Å; H433-M477 HydrophobicContact CB-SD 3.72Å; L434-M477 CarbonylContact O-C 3.55Å; F435-M477 HydrophobicContact CD1-CB 4.33Å; F435-M477 HydrophobicContact CE1-CB 3.96Å; F435-M477 HydrophobicContact CE1-CG 4.34Å; F435-M477 HydrophobicContact CE2-CG 4.37Å; F435-M477 HydrophobicContact CE2-SD 4.45Å; F435-M477 HydrophobicContact CZ-CB 4.2Å; F435-M477 HydrophobicContact CZ-CG 4.07Å; F435-M477 HydrophobicContact CZ-SD 3.91Å; A466-M477 HydrophobicContact CB-CB 4.06Å; A466-M477 HydrophobicContact CB-CE 3.81Å; A466-M477 WeakPolarHBondContact CB-O 3.34Å; A466-M477 PolarHBondContact N-O 2.84Å; M477-I479 HydrophobicContact CE-CD1 4.39Å; M477-I479 HydrophobicContact CE-CG1 4.36Å; M477-I479 HydrophobicContact CG-CG1 4.43Å
478V94.5Very high82.3Confident0 Ų072 Ų720%038%0.38CS..EExtended strand (participates in β ladder)trans-108118.5172.2-1740000107.9H433 L434 I436 I463 K464 I465 I480 I494H433-V478 CarbonylContact C-O 3.42Å; H433-V478 WeakPolarHBondContact CA-O 3.49Å; L434-V478 HydrophobicContact CB-CB 4.39Å; L434-V478 PolarHBondContact N-O 3.11Å; L434-V478 PolarHBondContact O-N 2.99Å; I436-V478 HydrophobicContact CD1-CG2 3.64Å; I436-V478 HydrophobicContact CG1-CG2 3.84Å; I436-V478 HydrophobicContact CG2-CG2 4.23Å; I463-V478 HydrophobicContact CG2-CG1 3.64Å; K464-V478 CarbonylContact O-C 3.57Å; K464-V478 WeakPolarHBondContact O-CA 3.44Å; I465-V478 HydrophobicContact CG1-CG1 4.41Å; I465-V478 HydrophobicContact CG1-CG2 4.26Å; V478-I480 HydrophobicContact CG1-CG1 4.08Å; V478-I494 HydrophobicContact CG1-CD1 4.18Å
479I94.5Very high82.8Confident45 Ų4574.5 Ų74.523%0.23138%0.383CS..EExtended strand (participates in β ladder)trans-92.9116.6179.1-54.2170.5000107.6T431 I463 K464 M477 V481T431-I479 HydrophobicContact CG2-CG2 3.95Å; I463-I479 WeakPolarHBondContact CA-O 3.29Å; K464-I479 HydrophobicContact CB-CB 4.45Å; K464-I479 PolarHBondContact N-O 3.5Å; K464-I479 PolarHBondContact O-N 3.23Å; M477-I479 HydrophobicContact CE-CD1 4.39Å; M477-I479 HydrophobicContact CE-CG1 4.36Å; M477-I479 HydrophobicContact CG-CG1 4.43Å; I479-V481 HydrophobicContact CG2-CG2 4.01Å
480I95.1Very high84Confident0 Ų066.4 Ų66.40%035%0.345CS..EExtended strand (participates in β ladder)trans-114.8116.5179.8-53.3173.7000107.9T431 V432 L434 A461 S462 I463 V478 Q487 A490 Q491 I494T431-I480 WeakPolarHBondContact CA-O 3.27Å; V432-I480 PolarHBondContact N-O 3.49Å; V432-I480 PolarHBondContact O-N 2.95Å; L434-I480 HydrophobicContact CB-CD1 4.38Å; L434-I480 HydrophobicContact CD2-CD1 4.41Å; A461-I480 HydrophobicContact CB-CG2 4.15Å; S462-I480 WeakPolarHBondContact O-CA 3.32Å; I463-I480 HydrophobicContact CG1-CG2 4.37Å; I463-I480 HydrophobicContact CG2-CG1 4.49Å; V478-I480 HydrophobicContact CG1-CG1 4.08Å; I480-Q487 HydrophobicContact CG2-CB 4.4Å; I480-Q487 HydrophobicContact CG2-CG 4.1Å; I480-A490 HydrophobicContact CD1-CB 4.26Å; I480-A490 HydrophobicContact CG2-CB 3.79Å; I480-Q491 HydrophobicContact CD1-CG 3.67Å; I480-I494 HydrophobicContact CD1-CD1 3.83Å
481V93.7Very high85.6Confident44 Ų4463.9 Ų63.927%0.26732%0.319SS..EExtended strand (participates in β ladder)trans-118.7127.7-179.6-174.30000109.5S429 E430 T431 A461 S462 I479S429-V481 VanDerWaalsContact OG-CG1 3.27Å; S429-V481 WeakPolarHBondContact OG-CG1 3.48Å; E430-V481 WeakPolarHBondContact O-CA 3.37Å; T431-V481 HydrophobicContact CG2-CG2 3.95Å; A461-V481 CarbonylContact C-O 3.48Å; A461-V481 WeakPolarHBondContact CA-O 3.3Å; S462-V481 PolarHBondContact N-O 2.95Å; S462-V481 PolarHBondContact O-N 3.48Å; I479-V481 HydrophobicContact CG2-CG2 4.01Å
482G91.5Very high87.3Confident5 Ų557.1 Ų57.15%0.05229%0.29CS..EExtended strand (participates in β ladder)trans161-178.617800000112.6E430 Q487E430-G482 PolarHBondContact N-O 2.85Å; E430-G482 VanDerWaalsContact N-O 3.1Å; E430-G482 PolarHBondContact O-N 2.62Å; G482-Q487 PolarHBondContact O-NE2 3.48Å
483P88.9Confident88.8Confident53 Ų5355.3 Ų55.334%0.34427%0.272SS..  trans-64.7159.4175.827.2-34000111.3E485 A486 Q487P483-E485 PolarHBondContact O-N 3.33Å; P483-E485 VanDerWaalsContact O-N 3.12Å; P483-A486 HydrophobicContact CG-CB 3.69Å; P483-A486 WeakPolarHBondContact O-CA 3.22Å; P483-A486 WeakPolarHBondContact O-CB 3.22Å; P483-A486 PolarHBondContact O-N 3Å; P483-Q487 PolarHBondContact O-N 3.5Å
484P85.4Confident89.8Confident71 Ų7154 Ų5446%0.46126%0.261SS..Hα-helixtrans-52.6-38.8-177.1-29.535.7000114A486 Q487 F488P484-A486 PolarHBondContact O-N 3.43Å; P484-Q487 PolarHBondContact O-N 2.86Å; P484-F488 WeakPolarHBondContact O-CB 3.39Å; P484-F488 PolarHBondContact O-N 2.88Å
485E85.8Confident90.2Very high149 Ų14945.4 Ų45.470%0.69622%0.224SC*.Hα-helixtrans-64.6-38.5177-62.6178.9-173.700112.8P483 K489P483-E485 PolarHBondContact O-N 3.33Å; P483-E485 VanDerWaalsContact O-N 3.12Å; E485-K489 WeakPolarHBondContact O-CG 3.29Å; E485-K489 PolarHBondContact O-N 3.5Å; E485-K489 VanDerWaalsContact O-N 3.13Å
486A89.3Confident90Very high4 Ų442.1 Ų42.13%0.03322%0.216CC..Hα-helixtrans-72.2-40.4178.900000111.2A459 A461 P483 P484 K489 A490A459-A486 WeakPolarHBondContact O-CA 3.3Å; A459-A486 WeakPolarHBondContact O-CB 3.34Å; A461-A486 HydrophobicContact CB-CB 3.95Å; P483-A486 HydrophobicContact CG-CB 3.69Å; P483-A486 WeakPolarHBondContact O-CA 3.22Å; P483-A486 WeakPolarHBondContact O-CB 3.22Å; P483-A486 PolarHBondContact O-N 3Å; P484-A486 PolarHBondContact O-N 3.43Å; A486-K489 PolarHBondContact O-N 2.93Å; A486-A490 WeakPolarHBondContact O-CB 3.33Å; A486-A490 PolarHBondContact O-N 3.38Å
487Q90.8Very high89.8Confident6 Ų640 Ų403%0.02821%0.209CC..Hα-helixtrans-62.3-42.5173.4-65.9-176.5-8.800112E430 I480 G482 P483 P484 K489 A490 Q491E430-Q487 PolarHBondContact O-NE2 3.3Å; I480-Q487 HydrophobicContact CG2-CB 4.4Å; I480-Q487 HydrophobicContact CG2-CG 4.1Å; G482-Q487 PolarHBondContact O-NE2 3.48Å; P483-Q487 PolarHBondContact O-N 3.5Å; P484-Q487 PolarHBondContact O-N 2.86Å; Q487-K489 PolarHBondContact O-N 2.94Å; Q487-A490 PolarHBondContact O-N 2.9Å; Q487-Q491 WeakPolarHBondContact O-CB 3.46Å; Q487-Q491 VanDerWaalsContact O-CG 3.32Å; Q487-Q491 WeakPolarHBondContact O-CG 3.45Å; Q487-Q491 PolarHBondContact O-N 2.99Å
488F88.5Confident89.5Confident87 Ų8738.3 Ų38.338%0.38220%0.2SC..Hα-helixtrans-57.9-49.4176179.5-86.2000111P484 A490 Q491 C492 F567 Q571P484-F488 WeakPolarHBondContact O-CB 3.39Å; P484-F488 PolarHBondContact O-N 2.88Å; F488-A490 PolarHBondContact O-N 3.16Å; F488-Q491 PolarHBondContact O-N 3.36Å; F488-C492 WeakPolarHBondContact O-CB 3.45Å; F488-C492 PolarHBondContact O-N 3.38Å; F488-F567 HydrophobicContact CD1-CZ 4.34Å; F488-F567 AromaticContact CD2-CZ 3.85Å; F488-F567 HydrophobicContact CD2-CZ 3.85Å; F488-F567 HydrophobicContact CE1-CE1 4.4Å; F488-F567 AromaticContact CE1-CZ 3.99Å; F488-F567 HydrophobicContact CE1-CZ 3.99Å; F488-F567 AromaticContact CE2-CE1 3.82Å; F488-F567 HydrophobicContact CE2-CE1 3.82Å; F488-F567 HydrophobicContact CE2-CE2 4.5Å; F488-F567 AromaticContact CE2-CZ 3.46Å; F488-F567 HydrophobicContact CE2-CZ 3.46Å; F488-F567 VanDerWaalsContact CE2-CZ 3.46Å; F488-F567 HydrophobicContact CG-CZ 4.28Å; F488-F567 AromaticContact CZ-CE1 3.68Å; F488-F567 HydrophobicContact CZ-CE1 3.68Å; F488-F567 AromaticContact CZ-CZ 3.53Å; F488-F567 HydrophobicContact CZ-CZ 3.53Å; F488-Q571 HydrophobicContact CD2-CB 4.34Å; F488-Q571 HydrophobicContact CD2-CG 3.76Å; F488-Q571 HydrophobicContact CE2-CB 4.34Å; F488-Q571 HydrophobicContact CE2-CG 3.89Å
489K86.5Confident88.9Confident96 Ų9644 Ų4442%0.41723%0.225SC..Hα-helixtrans-60.9-44.9177.5-71.5172.5-175.3174.40111.9F458 A459 E485 A486 Q487 C492 R493F458-K489 HydrophobicContact CE1-CB 4.48Å; A459-K489 HydrophobicContact CB-CB 4.1Å; E485-K489 WeakPolarHBondContact O-CG 3.29Å; E485-K489 PolarHBondContact O-N 3.5Å; E485-K489 VanDerWaalsContact O-N 3.13Å; A486-K489 PolarHBondContact O-N 2.93Å; Q487-K489 PolarHBondContact O-N 2.94Å; K489-C492 PolarHBondContact O-N 2.9Å; K489-R493 PolarHBondContact O-N 3.32Å; K489-R493 VanDerWaalsContact O-N 3.11Å
490A92.1Very high88.3Confident0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-62.1-51.5178.500000111.8A459 A461 I463 I480 A486 Q487 F488 C492 R493 I494A459-A490 HydrophobicContact CB-CB 3.85Å; A461-A490 HydrophobicContact CB-CB 4.38Å; I463-A490 HydrophobicContact CD1-CB 3.7Å; I463-A490 HydrophobicContact CG1-CB 4.32Å; I480-A490 HydrophobicContact CD1-CB 4.26Å; I480-A490 HydrophobicContact CG2-CB 3.79Å; A486-A490 WeakPolarHBondContact O-CB 3.33Å; A486-A490 PolarHBondContact O-N 3.38Å; Q487-A490 PolarHBondContact O-N 2.9Å; F488-A490 PolarHBondContact O-N 3.16Å; A490-C492 PolarHBondContact O-N 3.43Å; A490-R493 PolarHBondContact O-N 2.85Å; A490-I494 VanDerWaalsContact O-CG1 3.29Å; A490-I494 WeakPolarHBondContact O-CG1 3.32Å; A490-I494 PolarHBondContact O-N 3.44Å
491Q91.9Very high87.4Confident0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-61.5-45.1178.1-69.8-17761.400110.7L434 I480 Q487 F488 R493 I494 F495 F567 Q574L434-Q491 HydrophobicContact CD2-CG 4.41Å; I480-Q491 HydrophobicContact CD1-CG 3.67Å; Q487-Q491 WeakPolarHBondContact O-CB 3.46Å; Q487-Q491 VanDerWaalsContact O-CG 3.32Å; Q487-Q491 WeakPolarHBondContact O-CG 3.45Å; Q487-Q491 PolarHBondContact O-N 2.99Å; F488-Q491 PolarHBondContact O-N 3.36Å; Q491-R493 VanDerWaalsContact C-N 3.32Å; Q491-R493 PolarHBondContact O-N 3.5Å; Q491-I494 PolarHBondContact O-N 3.38Å; Q491-I494 VanDerWaalsContact O-N 3.14Å; Q491-F495 VanDerWaalsContact O-CD2 3.3Å; Q491-F495 WeakPolarHBondContact O-CD2 3.49Å; Q491-F495 PolarHBondContact O-N 2.89Å; Q491-F567 HydrophobicContact CB-CE2 4.08Å; Q491-Q574 VanDerWaalsContact NE2-OE1 3.12Å
492C88.7Confident86.5Confident55 Ų5555 Ų5537%0.37228%0.276SS..Hα-helixtrans-53.6-48.7177.7-177.40000111.9F488 K489 A490 F495 G496 F567F488-C492 WeakPolarHBondContact O-CB 3.45Å; F488-C492 PolarHBondContact O-N 3.38Å; K489-C492 PolarHBondContact O-N 2.9Å; A490-C492 PolarHBondContact O-N 3.43Å; C492-F495 PolarHBondContact O-N 3.18Å; C492-G496 PolarHBondContact O-N 3.15Å; C492-F567 VanDerWaalsContact CA-CE2 3.43Å; C492-F567 HydrophobicContact CB-CE1 4.16Å; C492-F567 HydrophobicContact CB-CE2 3.74Å; C492-F567 HydrophobicContact CB-CZ 3.49Å; C492-F567 VanDerWaalsContact CB-CZ 3.49Å; C492-F567 VanDerWaalsContact N-CE2 3.33Å
493R87.3Confident85.7Confident115 Ų11558.4 Ų58.443%0.43429%0.29SS..Hα-helixtrans-70.9-32.5-179.1-173.259.7171.4-167.40.1112.6L455 K489 A490 Q491 K497L455-R493 HydrophobicContact CD1-CB 3.43Å; L455-R493 VanDerWaalsContact CD1-CB 3.43Å; L455-R493 HydrophobicContact CD1-CG 3.38Å; K489-R493 PolarHBondContact O-N 3.32Å; K489-R493 VanDerWaalsContact O-N 3.11Å; A490-R493 PolarHBondContact O-N 2.85Å; Q491-R493 VanDerWaalsContact C-N 3.32Å; Q491-R493 PolarHBondContact O-N 3.5Å; R493-K497 VanDerWaalsContact O-CB 3.3Å; R493-K497 WeakPolarHBondContact O-CB 3.43Å; R493-K497 PolarHBondContact O-N 3.17Å
494I91.6Very high85Confident1 Ų157.7 Ų57.71%0.00528%0.282CS..Hα-helixtrans-65.6-52.2172.8-67.6164.5000110.4L434 I436 I444 L455 V478 I480 A490 Q491 G496 K497 L498 L512L434-I494 HydrophobicContact CD2-CB 4.28Å; L434-I494 HydrophobicContact CD2-CD1 4.1Å; L434-I494 HydrophobicContact CD2-CG2 3.81Å; I436-I494 HydrophobicContact CG2-CG2 3.93Å; I444-I494 HydrophobicContact CD1-CG2 4.12Å; I444-I494 HydrophobicContact CG2-CG1 4.45Å; L455-I494 HydrophobicContact CD2-CD1 4.38Å; L455-I494 HydrophobicContact CD2-CG1 3.88Å; V478-I494 HydrophobicContact CG1-CD1 4.18Å; I480-I494 HydrophobicContact CD1-CD1 3.83Å; A490-I494 VanDerWaalsContact O-CG1 3.29Å; A490-I494 WeakPolarHBondContact O-CG1 3.32Å; A490-I494 PolarHBondContact O-N 3.44Å; Q491-I494 PolarHBondContact O-N 3.38Å; Q491-I494 VanDerWaalsContact O-N 3.14Å; I494-G496 VanDerWaalsContact C-N 3.31Å; I494-G496 PolarHBondContact O-N 3.35Å; I494-K497 PolarHBondContact O-N 3.08Å; I494-L498 HydrophobicContact CG2-CD1 4.35Å; I494-L498 WeakPolarHBondContact O-CG 3.39Å; I494-L498 PolarHBondContact O-N 3.44Å; I494-L512 HydrophobicContact CG2-CD1 4.49Å
495F89.3Confident84.2Confident10 Ų1055.8 Ų55.84%0.04428%0.275CS..Hα-helixtrans-57-44.5176.4-88.3-94.8000111.6L434 Q491 C492 L498 K499 V510 L512 F567L434-F495 HydrophobicContact CD1-CE2 4.16Å; Q491-F495 VanDerWaalsContact O-CD2 3.3Å; Q491-F495 WeakPolarHBondContact O-CD2 3.49Å; Q491-F495 PolarHBondContact O-N 2.89Å; C492-F495 PolarHBondContact O-N 3.18Å; F495-L498 PolarHBondContact O-N 2.98Å; F495-K499 PolarHBondContact O-N 2.89Å; F495-K499 VanDerWaalsContact O-N 3.17Å; F495-V510 HydrophobicContact CD1-CB 4.05Å; F495-V510 HydrophobicContact CD1-CG1 3.62Å; F495-V510 HydrophobicContact CE1-CG1 4.14Å; F495-V510 HydrophobicContact CG-CG1 4.46Å; F495-L512 HydrophobicContact CD1-CD1 4Å; F495-L512 HydrophobicContact CD1-CG 4.14Å; F495-L512 HydrophobicContact CD2-CD1 3.77Å; F495-L512 HydrophobicContact CE1-CB 3.92Å; F495-L512 HydrophobicContact CE1-CD1 3.82Å; F495-L512 HydrophobicContact CE1-CG 3.63Å; F495-L512 HydrophobicContact CE2-CB 4.22Å; F495-L512 HydrophobicContact CE2-CD1 3.6Å; F495-L512 HydrophobicContact CE2-CG 4.2Å; F495-L512 HydrophobicContact CG-CD1 4Å; F495-L512 HydrophobicContact CZ-CB 3.57Å; F495-L512 HydrophobicContact CZ-CD1 3.63Å; F495-L512 HydrophobicContact CZ-CG 3.68Å; F495-F567 HydrophobicContact CB-CB 4.3Å; F495-F567 HydrophobicContact CB-CD2 4.48Å; F495-F567 HydrophobicContact CD1-CB 3.93Å; F495-F567 HydrophobicContact CD2-CB 4.28Å; F495-F567 AromaticContact CD2-CD2 3.83Å; F495-F567 HydrophobicContact CD2-CD2 3.83Å; F495-F567 HydrophobicContact CE1-CB 4.24Å; F495-F567 HydrophobicContact CE2-CD2 4.2Å; F495-F567 HydrophobicContact CG-CB 3.94Å; F495-F567 HydrophobicContact CG-CD2 4.2Å; F495-F567 HydrophobicContact CG-CG 4.48Å
496G83.8Confident82.8Confident28 Ų2855.3 Ų55.329%0.28929%0.285SS..Hα-helixtrans-60.4-45.917600000112.4C492 I494 L498 K499 E500C492-G496 PolarHBondContact O-N 3.15Å; I494-G496 VanDerWaalsContact C-N 3.31Å; I494-G496 PolarHBondContact O-N 3.35Å; G496-L498 VanDerWaalsContact C-N 3.34Å; G496-L498 PolarHBondContact O-N 3.24Å; G496-K499 WeakPolarHBondContact O-CB 3.41Å; G496-K499 PolarHBondContact O-N 3.43Å; G496-K499 VanDerWaalsContact O-N 3.11Å; G496-E500 WeakPolarHBondContact O-CG 3.38Å; G496-E500 PolarHBondContact O-N 3.37Å
497K84.7Confident81.3Confident35 Ų3564.8 Ų64.815%0.15233%0.325CS..Hα-helixtrans-63.9-39.4179.6-171.457.3164161.70112.7I444 R493 I494 K499 E500 E501I444-K497 HydrophobicContact CD1-CB 3.77Å; I444-K497 HydrophobicContact CD1-CG 3.81Å; R493-K497 VanDerWaalsContact O-CB 3.3Å; R493-K497 WeakPolarHBondContact O-CB 3.43Å; R493-K497 PolarHBondContact O-N 3.17Å; I494-K497 PolarHBondContact O-N 3.08Å; K497-K499 PolarHBondContact O-N 2.81Å; K497-E500 WeakPolarHBondContact CD-OE2 3.46Å; K497-E500 IonicContact NZ-OE2 3.31Å; K497-E500 PolarHBondContact NZ-OE2 2.8Å; K497-E500 PolarHBondContact O-N 2.9Å; K497-E501 HydrophobicContact CD-CG 4.2Å; K497-E501 VanDerWaalsContact CE-OE1 3.24Å; K497-E501 WeakPolarHBondContact CE-OE1 3.38Å; K497-E501 HydrophobicContact CG-CG 4.45Å; K497-E501 IonicContact NZ-OE1 3.78Å; K497-E501 PolarHBondContact NZ-OE1 3.25Å; K497-E501 VanDerWaalsContact O-CG 3.31Å; K497-E501 WeakPolarHBondContact O-CG 3.34Å; K497-E501 PolarHBondContact O-N 2.94Å
498L86.6Confident80Confident0 Ų070.4 Ų70.40%035%0.351CS..Hα-helixtrans-63.5-32.9175.7-67.6-178.4000112.6I436 A440 I444 I494 F495 G496 F503 F504 V510 L512I436-L498 HydrophobicContact CB-CD1 4.44Å; I436-L498 HydrophobicContact CG2-CD1 4.07Å; A440-L498 HydrophobicContact CB-CD2 3.18Å; I444-L498 HydrophobicContact CD1-CD2 4.19Å; I444-L498 HydrophobicContact CD1-CG 4.4Å; I444-L498 HydrophobicContact CG1-CD2 4.41Å; I494-L498 HydrophobicContact CG2-CD1 4.35Å; I494-L498 WeakPolarHBondContact O-CG 3.39Å; I494-L498 PolarHBondContact O-N 3.44Å; F495-L498 PolarHBondContact O-N 2.98Å; G496-L498 VanDerWaalsContact C-N 3.34Å; G496-L498 PolarHBondContact O-N 3.24Å; L498-F503 HydrophobicContact CD2-CD2 4.16Å; L498-F504 HydrophobicContact CB-CE2 4.1Å; L498-F504 HydrophobicContact CD1-CE2 4.46Å; L498-V510 HydrophobicContact CB-CG1 4.11Å; L498-V510 HydrophobicContact CB-CG2 4.34Å; L498-V510 HydrophobicContact CD1-CG1 4.1Å; L498-L512 HydrophobicContact CD1-CD1 3.74Å; L498-L512 HydrophobicContact CD1-CD2 3.65Å; L498-L512 HydrophobicContact CD1-CG 4.23Å
499K81.6Confident79.1Confident120 Ų12068.6 Ų68.652%0.52234%0.344SS..Hα-helixtrans-72-43.7175.3-168.3175.2-178.7174.60112F495 G496 K497 E501 N502 V510F495-K499 PolarHBondContact O-N 2.89Å; F495-K499 VanDerWaalsContact O-N 3.17Å; G496-K499 WeakPolarHBondContact O-CB 3.41Å; G496-K499 PolarHBondContact O-N 3.43Å; G496-K499 VanDerWaalsContact O-N 3.11Å; K497-K499 PolarHBondContact O-N 2.81Å; K499-E501 VanDerWaalsContact C-N 3.31Å; K499-E501 PolarHBondContact O-N 3.45Å; K499-N502 PolarHBondContact O-N 3.24Å; K499-V510 HydrophobicContact CB-CG2 3.78Å; K499-V510 HydrophobicContact CG-CG2 4.35Å
500E80.6Confident78.9Confident107 Ų10764.2 Ų64.250%0.533%0.326SS..Hα-helixtrans-60.3-38.9179.1-73.5170.5-169.900112.9G496 K497 N502G496-E500 WeakPolarHBondContact O-CG 3.38Å; G496-E500 PolarHBondContact O-N 3.37Å; K497-E500 WeakPolarHBondContact CD-OE2 3.46Å; K497-E500 IonicContact NZ-OE2 3.31Å; K497-E500 PolarHBondContact NZ-OE2 2.8Å; K497-E500 PolarHBondContact O-N 2.9Å; E500-N502 PolarHBondContact O-N 3.17Å
501E77.6Confident78.8Confident90 Ų9069.2 Ų69.242%0.42135%0.347SS..THydrogen-bonded Turntrans-83.26.3-176.5-61.2-73.3154.300113.1A443 K497 K499 F503A443-E501 HydrophobicContact CB-CG 3.94Å; K497-E501 HydrophobicContact CD-CG 4.2Å; K497-E501 VanDerWaalsContact CE-OE1 3.24Å; K497-E501 WeakPolarHBondContact CE-OE1 3.38Å; K497-E501 HydrophobicContact CG-CG 4.45Å; K497-E501 IonicContact NZ-OE1 3.78Å; K497-E501 PolarHBondContact NZ-OE1 3.25Å; K497-E501 VanDerWaalsContact O-CG 3.31Å; K497-E501 WeakPolarHBondContact O-CG 3.34Å; K497-E501 PolarHBondContact O-N 2.94Å; K499-E501 VanDerWaalsContact C-N 3.31Å; K499-E501 PolarHBondContact O-N 3.45Å; E501-F503 HydrophobicContact CB-CD2 3.55Å; E501-F503 HydrophobicContact CB-CE2 3.32Å; E501-F503 HydrophobicContact CB-CZ 4.29Å; E501-F503 HydrophobicContact CG-CE2 4.03Å; E501-F503 PolarHBondContact O-N 3.45Å
502N74.1Confident78.7Confident122 Ų12269.5 Ų69.565%0.65235%0.349SS*.THydrogen-bonded Turntrans52.635.4178.2-59.1-64.5000114.4K499 E500 F504K499-N502 PolarHBondContact O-N 3.24Å; E500-N502 PolarHBondContact O-N 3.17Å; N502-F504 PolarHBondContact O-N 3.03Å
503F74.5Confident79Confident77 Ų7769.1 Ų69.134%0.33834%0.342SS..  trans-66.1-14.9171.9-74.1-71.8000113.1L439 A440 A443 L498 E501L439-F503 HydrophobicContact CB-CD1 4.45Å; L439-F503 HydrophobicContact CB-CE1 4.01Å; A440-F503 VanDerWaalsContact CA-CZ 3.43Å; A440-F503 HydrophobicContact CB-CD1 4.1Å; A440-F503 HydrophobicContact CB-CD2 3.66Å; A440-F503 HydrophobicContact CB-CE1 3.98Å; A440-F503 HydrophobicContact CB-CE2 3.51Å; A440-F503 HydrophobicContact CB-CG 3.97Å; A440-F503 HydrophobicContact CB-CZ 3.71Å; A443-F503 HydrophobicContact CB-CE2 4.1Å; A443-F503 HydrophobicContact CB-CZ 4.43Å; L498-F503 HydrophobicContact CD2-CD2 4.16Å; E501-F503 HydrophobicContact CB-CD2 3.55Å; E501-F503 HydrophobicContact CB-CE2 3.32Å; E501-F503 HydrophobicContact CB-CZ 4.29Å; E501-F503 HydrophobicContact CG-CE2 4.03Å; E501-F503 PolarHBondContact O-N 3.45Å
504F74.8Confident79.3Confident39 Ų3963.7 Ų63.717%0.17132%0.321CS..SBendtrans-120153.3178.2-60.5-93.6000108.5P437 L498 N502 E508 V510 L512P437-F504 HydrophobicContact CG-CZ 4.18Å; L498-F504 HydrophobicContact CB-CE2 4.1Å; L498-F504 HydrophobicContact CD1-CE2 4.46Å; N502-F504 PolarHBondContact O-N 3.03Å; F504-E508 HydrophobicContact CB-CB 4.44Å; F504-V510 HydrophobicContact CD2-CB 4.31Å; F504-V510 HydrophobicContact CD2-CG1 4.26Å; F504-V510 HydrophobicContact CD2-CG2 3.67Å; F504-V510 HydrophobicContact CE2-CB 4.26Å; F504-V510 HydrophobicContact CE2-CG1 3.72Å; F504-V510 HydrophobicContact CE2-CG2 3.99Å; F504-V510 HydrophobicContact CG-CG2 4.22Å; F504-V510 HydrophobicContact CZ-CG1 3.95Å; F504-L512 HydrophobicContact CZ-CD2 4.45Å
505G68.1Low79.4Confident31 Ų3164.5 Ų64.532%0.3233%0.325SS..  trans-57.2155.2-179.200000112.8K507 E508G505-K507 PolarHBondContact O-N 3.34Å; G505-E508 PolarHBondContact N-OE2 2.88Å; G505-E508 PolarHBondContact O-N 3.1Å
506P56.9Low79.6Confident138 Ų13864.2 Ų64.290%0.89632%0.324SS*.THydrogen-bonded Turntrans-61.9-15-175.722.9-33.4000114.8
507K57.3Low79.9Confident204 Ų20466.4 Ų66.489%0.88733%0.325SS*.THydrogen-bonded Turntrans-111.1-3.3174.1-64.5-176.4178.4-178.40113.1G505G505-K507 PolarHBondContact O-N 3.34Å
508E62.6Low80.2Confident124 Ų12464.8 Ų64.858%0.57932%0.318SS*.PPolyproline II helixtrans-97129.3-176.1-169.4178.1-171.800109.3F504 G505F504-E508 HydrophobicContact CB-CB 4.44Å; G505-E508 PolarHBondContact N-OE2 2.88Å; G505-E508 PolarHBondContact O-N 3.1Å
509E70.1Confident80.3Confident48 Ų4865.9 Ų65.922%0.22433%0.325CS..PPolyproline II helixtrans-92.6139.2-179.3-175.2177.8-154.900111L319 K511 H566L319-E509 VanDerWaalsContact CB-OE2 3.29Å; L319-E509 WeakPolarHBondContact CB-OE2 3.3Å; L319-E509 WeakPolarHBondContact CD1-OE1 3.44Å; L319-E509 WeakPolarHBondContact CD1-OE2 3.43Å; L319-E509 WeakPolarHBondContact CD2-OE1 3.42Å; E509-K511 PolarHBondContact O-N 2.76Å; E509-K511 VanDerWaalsContact O-N 3.12Å; E509-H566 VanDerWaalsContact CB-CE1 3.48Å; E509-H566 WeakPolarHBondContact CB-CE1 3.38Å; E509-H566 VanDerWaalsContact CG-ND1 3.34Å; E509-H566 WeakPolarHBondContact CG-ND1 3.02Å; E509-H566 IonicContact OE2-CD2 3.51Å; E509-H566 IonicContact OE2-CE1 3.37Å; E509-H566 PolarHBondContact OE2-CE1 3.21Å; E509-H566 VanDerWaalsContact OE2-CE1 3.27Å; E509-H566 IonicContact OE2-CG 2.93Å; E509-H566 IonicContact OE2-ND1 3.51Å; E509-H566 PolarHBondContact OE2-ND1 3.21Å; E509-H566 IonicContact OE2-NE2 2.9Å; E509-H566 PolarHBondContact OE2-NE2 2.95Å
510V83.8Confident80.5Confident5 Ų562.1 Ų62.13%0.0331%0.314CS..PPolyproline II helixtrans-57.1116.6-179-175.60000110.1F495 L498 K499 F504 L512 H566F495-V510 HydrophobicContact CD1-CB 4.05Å; F495-V510 HydrophobicContact CD1-CG1 3.62Å; F495-V510 HydrophobicContact CE1-CG1 4.14Å; F495-V510 HydrophobicContact CG-CG1 4.46Å; L498-V510 HydrophobicContact CB-CG1 4.11Å; L498-V510 HydrophobicContact CB-CG2 4.34Å; L498-V510 HydrophobicContact CD1-CG1 4.1Å; K499-V510 HydrophobicContact CB-CG2 3.78Å; K499-V510 HydrophobicContact CG-CG2 4.35Å; F504-V510 HydrophobicContact CD2-CB 4.31Å; F504-V510 HydrophobicContact CD2-CG1 4.26Å; F504-V510 HydrophobicContact CD2-CG2 3.67Å; F504-V510 HydrophobicContact CE2-CB 4.26Å; F504-V510 HydrophobicContact CE2-CG1 3.72Å; F504-V510 HydrophobicContact CE2-CG2 3.99Å; F504-V510 HydrophobicContact CG-CG2 4.22Å; F504-V510 HydrophobicContact CZ-CG1 3.95Å; V510-L512 HydrophobicContact CG1-CD1 4.46Å; V510-L512 HydrophobicContact CG1-CD2 4.11Å; V510-L512 HydrophobicContact CG1-CG 4Å; V510-H566 PolarHBondContact O-ND1 3.05Å
511K88Confident80.7Confident105 Ų10562 Ų6246%0.45731%0.312SS..  trans-112.5128170.1-67.6178.8-179.1179.80108.3E509 G565 H566E509-K511 PolarHBondContact O-N 2.76Å; E509-K511 VanDerWaalsContact O-N 3.12Å; K511-G565 WeakPolarHBondContact CA-O 3.43Å; K511-H566 WeakPolarHBondContact CE-CE1 3.39Å; K511-H566 WeakPolarHBondContact CE-NE2 3.5Å; K511-H566 WeakPolarHBondContact CG-CE1 3.28Å; K511-H566 WeakPolarHBondContact CG-ND1 3.2Å
512L91.7Very high81.2Confident6 Ų657.8 Ų57.83%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-126.8159.6175.9-56.4178.2000110.3L434 I436 I494 F495 L498 F504 V510 S564 G565L434-L512 HydrophobicContact CD1-CB 3.92Å; L434-L512 HydrophobicContact CD1-CD1 4Å; L434-L512 HydrophobicContact CD2-CD1 3.89Å; L434-L512 HydrophobicContact CG-CD1 4.08Å; I436-L512 HydrophobicContact CG2-CD1 4.14Å; I436-L512 HydrophobicContact CG2-CD2 4.48Å; I494-L512 HydrophobicContact CG2-CD1 4.49Å; F495-L512 HydrophobicContact CD1-CD1 4Å; F495-L512 HydrophobicContact CD1-CG 4.14Å; F495-L512 HydrophobicContact CD2-CD1 3.77Å; F495-L512 HydrophobicContact CE1-CB 3.92Å; F495-L512 HydrophobicContact CE1-CD1 3.82Å; F495-L512 HydrophobicContact CE1-CG 3.63Å; F495-L512 HydrophobicContact CE2-CB 4.22Å; F495-L512 HydrophobicContact CE2-CD1 3.6Å; F495-L512 HydrophobicContact CE2-CG 4.2Å; F495-L512 HydrophobicContact CG-CD1 4Å; F495-L512 HydrophobicContact CZ-CB 3.57Å; F495-L512 HydrophobicContact CZ-CD1 3.63Å; F495-L512 HydrophobicContact CZ-CG 3.68Å; L498-L512 HydrophobicContact CD1-CD1 3.74Å; L498-L512 HydrophobicContact CD1-CD2 3.65Å; L498-L512 HydrophobicContact CD1-CG 4.23Å; F504-L512 HydrophobicContact CZ-CD2 4.45Å; V510-L512 HydrophobicContact CG1-CD1 4.46Å; V510-L512 HydrophobicContact CG1-CD2 4.11Å; V510-L512 HydrophobicContact CG1-CG 4Å; L512-S564 WeakPolarHBondContact O-CA 3.42Å; L512-G565 PolarHBondContact N-O 2.67Å; L512-G565 VanDerWaalsContact N-O 3.1Å; L512-G565 PolarHBondContact O-N 3.06Å; L512-G565 VanDerWaalsContact O-N 3.15Å
513E94.1Very high81.8Confident47 Ų4752.4 Ų52.422%0.2227%0.265CS..EExtended strand (participates in β ladder)trans-101.2127.9172.9-173.2175.7154.500109.2F435 H515 K562 I563F435-E513 HydrophobicContact CB-CB 4.35Å; F435-E513 PolarHBondContact N-O 2.82Å; E513-H515 IonicContact OE1-CD2 3.62Å; E513-H515 IonicContact OE1-CE1 3.31Å; E513-H515 IonicContact OE1-NE2 2.73Å; E513-H515 PolarHBondContact OE1-NE2 3.48Å; E513-K562 WeakPolarHBondContact OE1-CD 3.48Å; E513-I563 CarbonylContact C-O 3.59Å; E513-I563 WeakPolarHBondContact CA-O 3.43Å
514A94.1Very high82.3Confident0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-117.2131.4175.600000109.6V432 H433 L434 I563V432-A514 HydrophobicContact CG1-CB 4.15Å; H433-A514 CarbonylContact O-C 3.58Å; H433-A514 WeakPolarHBondContact O-CA 3.33Å; L434-A514 HydrophobicContact CD1-CB 4.01Å; A514-I563 PolarHBondContact N-O 3.27Å; A514-I563 PolarHBondContact O-N 3.08Å
515H94.3Very high82.9Confident19 Ų1954 Ų549%0.08828%0.282CS..EExtended strand (participates in β ladder)trans-105.7127.9174.2-71.1-176.3000108.8H433 F435 E513 I560 V561H433-H515 HydrophobicContact CB-CB 3.99Å; H433-H515 PolarHBondContact N-O 2.91Å; H433-H515 PolarHBondContact O-N 3.26Å; F435-H515 AromaticContact CD2-NE2 3.92Å; F435-H515 HydrophobicContact CE2-CB 4.08Å; F435-H515 AromaticContact CE2-CD2 3.62Å; F435-H515 AromaticContact CE2-CE1 3.25Å; F435-H515 WeakPolarHBondContact CE2-CE1 3.41Å; F435-H515 AromaticContact CE2-CG 3.47Å; F435-H515 VanDerWaalsContact CE2-CG 3.47Å; F435-H515 AromaticContact CE2-ND1 3.26Å; F435-H515 VanDerWaalsContact CE2-ND1 3.26Å; F435-H515 WeakPolarHBondContact CE2-ND1 3.34Å; F435-H515 AromaticContact CE2-NE2 3.48Å; F435-H515 WeakPolarHBondContact CE2-NE2 3.37Å; F435-H515 AromaticContact CZ-CE1 3.41Å; F435-H515 VanDerWaalsContact CZ-CE1 3.41Å; F435-H515 WeakPolarHBondContact CZ-CE1 3.42Å; F435-H515 AromaticContact CZ-ND1 3.54Å; E513-H515 IonicContact OE1-CD2 3.62Å; E513-H515 IonicContact OE1-CE1 3.31Å; E513-H515 IonicContact OE1-NE2 2.73Å; E513-H515 PolarHBondContact OE1-NE2 3.48Å; H515-I560 HydrophobicContact CB-CG2 3.58Å; H515-V561 WeakPolarHBondContact CA-O 3.31Å
516I92.5Very high83.8Confident4 Ų452.5 Ų52.52%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-117.2142.8171.764.3173000109.3V432 V518 V561 I563 Q574 I577V432-I516 HydrophobicContact CG1-CG2 4.37Å; V432-I516 HydrophobicContact CG2-CG2 4Å; I516-V518 HydrophobicContact CD1-CG1 4.25Å; I516-V518 HydrophobicContact CG1-CG1 4.2Å; I516-V561 HydrophobicContact CG1-CB 3.91Å; I516-V561 PolarHBondContact N-O 3.41Å; I516-V561 PolarHBondContact O-N 3.12Å; I516-I563 HydrophobicContact CD1-CD1 3.82Å; I516-I563 HydrophobicContact CG1-CD1 4.1Å; I516-I563 HydrophobicContact CG2-CD1 4.38Å; I516-Q574 HydrophobicContact CG2-CG 4.21Å; I516-I577 HydrophobicContact CD1-CB 3.97Å; I516-I577 HydrophobicContact CD1-CD1 3.86Å; I516-I577 HydrophobicContact CD1-CG2 3.65Å
517K90.1Very high85.3Confident74 Ų7447.8 Ų47.832%0.32223%0.234SC..EExtended strand (participates in β ladder)trans-87.5129.3174.7-64.7-165.7176.6-162.60109.8D554 Q558K517-D554 IonicContact NZ-OD2 2.81Å; K517-D554 PolarHBondContact NZ-OD2 2.71Å; K517-Q558 HydrophobicContact CB-CB 4.21Å; K517-Q558 VanDerWaalsContact CB-OE1 3.25Å; K517-Q558 HydrophobicContact CD-CB 4.49Å
518V90.7Very high86.7Confident0 Ų038.6 Ų38.60%020%0.197CC..EExtended strand (participates in β ladder)trans-125.9143.2176.5-52.90000109.3I516 S520 A523 Q558 V559 V561 I577 L581I516-V518 HydrophobicContact CD1-CG1 4.25Å; I516-V518 HydrophobicContact CG1-CG1 4.2Å; V518-S520 PolarHBondContact O-N 3Å; V518-A523 HydrophobicContact CG2-CB 3.93Å; V518-Q558 CarbonylContact O-C 3.38Å; V518-Q558 VanDerWaalsContact O-CA 3.32Å; V518-Q558 WeakPolarHBondContact O-CA 3.47Å; V518-V559 HydrophobicContact CG2-CG2 3.6Å; V518-V559 PolarHBondContact N-O 3.18Å; V518-V559 PolarHBondContact O-N 2.99Å; V518-V561 HydrophobicContact CB-CG2 4.3Å; V518-V561 HydrophobicContact CG1-CB 4.47Å; V518-V561 HydrophobicContact CG1-CG2 3.7Å; V518-V561 HydrophobicContact CG2-CG2 3.54Å; V518-I577 HydrophobicContact CG1-CG2 4.08Å; V518-L581 HydrophobicContact CB-CD1 4.22Å; V518-L581 HydrophobicContact CB-CD2 4.17Å; V518-L581 HydrophobicContact CG1-CD1 3.91Å; V518-L581 HydrophobicContact CG1-CD2 4.47Å
519P88.9Confident87.8Confident23 Ų2341.8 Ų41.815%0.14921%0.209CC..EExtended strand (participates in β ladder)trans-56.8136.8174.3-22.632.2000111.3F521 A522 A523P519-F521 HydrophobicContact CB-CD1 3.6Å; P519-F521 HydrophobicContact CB-CE1 3.24Å; P519-F521 HydrophobicContact CB-CE2 4.33Å; P519-F521 HydrophobicContact CB-CG 4.3Å; P519-F521 HydrophobicContact CB-CZ 3.65Å; P519-F521 HydrophobicContact CG-CE1 4.07Å; P519-F521 HydrophobicContact CG-CZ 4.1Å; P519-F521 PolarHBondContact O-N 3.26Å; P519-A522 HydrophobicContact CB-CB 4.25Å; P519-A522 CarbonylContact O-C 3.52Å; P519-A522 WeakPolarHBondContact O-CA 3.17Å; P519-A522 WeakPolarHBondContact O-CB 3.42Å; P519-A522 PolarHBondContact O-N 3.13Å; P519-A523 PolarHBondContact O-N 3.45Å
520S86.8Confident88.3Confident42 Ų4243 Ų4329%0.29424%0.235SC..Hα-helixtrans-53.9-41.5-177.561.10000112V518 A522 A523 D557V518-S520 PolarHBondContact O-N 3Å; S520-A522 VanDerWaalsContact C-N 3.25Å; S520-A522 PolarHBondContact O-N 3.46Å; S520-A523 WeakPolarHBondContact O-CB 3.44Å; S520-A523 PolarHBondContact O-N 3.44Å; S520-D557 VanDerWaalsContact CB-O 3.22Å; S520-D557 WeakPolarHBondContact CB-O 3.31Å; S520-D557 PolarHBondContact N-O 2.9Å; S520-D557 PolarHBondContact OG-O 3.06Å; S520-D557 VanDerWaalsContact OG-O 3.09Å
521F84.8Confident88.4Confident105 Ų10543.3 Ų43.346%0.46124%0.239SC..Hα-helixtrans-64-27.6176.170.4-99.9000113.5P519 V584 Q588P519-F521 HydrophobicContact CB-CD1 3.6Å; P519-F521 HydrophobicContact CB-CE1 3.24Å; P519-F521 HydrophobicContact CB-CE2 4.33Å; P519-F521 HydrophobicContact CB-CG 4.3Å; P519-F521 HydrophobicContact CB-CZ 3.65Å; P519-F521 HydrophobicContact CG-CE1 4.07Å; P519-F521 HydrophobicContact CG-CZ 4.1Å; P519-F521 PolarHBondContact O-N 3.26Å; F521-V584 HydrophobicContact CD2-CG1 4.06Å; F521-V584 HydrophobicContact CE2-CG1 3.81Å; F521-Q588 VanDerWaalsContact CD2-NE2 3.34Å; F521-Q588 VanDerWaalsContact CE2-NE2 3.33Å
522A86.2Confident88.1Confident1 Ų141.3 Ų41.31%0.00823%0.23CC..Hα-helixtrans-92-21.1-179.900000112.4P519 S520 G524 R525 V526 L581 V584P519-A522 HydrophobicContact CB-CB 4.25Å; P519-A522 CarbonylContact O-C 3.52Å; P519-A522 WeakPolarHBondContact O-CA 3.17Å; P519-A522 WeakPolarHBondContact O-CB 3.42Å; P519-A522 PolarHBondContact O-N 3.13Å; S520-A522 VanDerWaalsContact C-N 3.25Å; S520-A522 PolarHBondContact O-N 3.46Å; A522-G524 VanDerWaalsContact C-N 3.28Å; A522-G524 PolarHBondContact O-N 3.34Å; A522-R525 WeakPolarHBondContact O-CA 3.49Å; A522-R525 WeakPolarHBondContact O-CB 3.48Å; A522-R525 PolarHBondContact O-N 3.19Å; A522-V526 PolarHBondContact O-N 3.46Å; A522-V526 VanDerWaalsContact O-N 3.14Å; A522-L581 HydrophobicContact CB-CD2 3.42Å; A522-L581 VanDerWaalsContact CB-CD2 3.42Å; A522-V584 HydrophobicContact CB-CG1 4.12Å
523A86.7Confident87.9Confident8 Ų843.1 Ų43.17%0.06624%0.241CC..Hα-helixtrans-56.8-40.8178.900000112.5V518 P519 S520 R525 V526 I527 V559V518-A523 HydrophobicContact CG2-CB 3.93Å; P519-A523 PolarHBondContact O-N 3.45Å; S520-A523 WeakPolarHBondContact O-CB 3.44Å; S520-A523 PolarHBondContact O-N 3.44Å; A523-R525 PolarHBondContact O-N 3.46Å; A523-V526 WeakPolarHBondContact O-CB 3.28Å; A523-V526 PolarHBondContact O-N 2.98Å; A523-V526 VanDerWaalsContact O-N 3.1Å; A523-I527 WeakPolarHBondContact O-CG1 3.3Å; A523-I527 PolarHBondContact O-N 3.3Å; A523-V559 HydrophobicContact CB-CG2 3.34Å
524G86.1Confident87.7Confident47 Ų4741.5 Ų41.549%0.48524%0.235SC..Hα-helixtrans-59.9-29.3175.100000113.5A522 G528A522-G524 VanDerWaalsContact C-N 3.28Å; A522-G524 PolarHBondContact O-N 3.34Å; G524-G528 WeakPolarHBondContact O-CA 3.47Å; G524-G528 PolarHBondContact O-N 3.03Å
525R87.6Confident87.3Confident102 Ų10245.9 Ų45.939%0.38526%0.258SS..Hα-helixtrans-78.6-34.5175-70.8-66.6-55.9-86.6-5.8112.8A522 A523 G528 I580 V584A522-R525 WeakPolarHBondContact O-CA 3.49Å; A522-R525 WeakPolarHBondContact O-CB 3.48Å; A522-R525 PolarHBondContact O-N 3.19Å; A523-R525 PolarHBondContact O-N 3.46Å; R525-G528 PolarHBondContact O-N 3.19Å; R525-I580 HydrophobicContact CB-CG2 4.2Å; R525-V584 HydrophobicContact CB-CG2 3.82Å; R525-V584 HydrophobicContact CG-CG2 3.78Å
526V87.3Confident86.8Confident0 Ų049.7 Ų49.70%028%0.276CS..Hα-helixtrans-64.3-42172.5178.70000110.6A522 A523 T533 V534 V547 I577 I580 L581A522-V526 PolarHBondContact O-N 3.46Å; A522-V526 VanDerWaalsContact O-N 3.14Å; A523-V526 WeakPolarHBondContact O-CB 3.28Å; A523-V526 PolarHBondContact O-N 2.98Å; A523-V526 VanDerWaalsContact O-N 3.1Å; V526-T533 WeakPolarHBondContact O-CB 3.19Å; V526-T533 WeakPolarHBondContact O-CG2 3.23Å; V526-V534 PolarHBondContact O-N 3.12Å; V526-V547 HydrophobicContact CG1-CG2 4.45Å; V526-I577 HydrophobicContact CG1-CG1 4.1Å; V526-I577 HydrophobicContact CG1-CG2 4.19Å; V526-I577 HydrophobicContact CG2-CG2 3.97Å; V526-I580 HydrophobicContact CG2-CG2 4.12Å; V526-L581 HydrophobicContact CG2-CD2 4.28Å
527I88.6Confident86.5Confident39 Ų3950 Ų5020%0.228%0.278CS..Hα-helixtrans-66.7-47.3173.2-60.8167.9000110.4A523 G531 T533 V534 V547A523-I527 WeakPolarHBondContact O-CG1 3.3Å; A523-I527 PolarHBondContact O-N 3.3Å; I527-G531 CarbonylContact O-C 3.52Å; I527-G531 VanDerWaalsContact O-CA 3.26Å; I527-G531 WeakPolarHBondContact O-CA 3.4Å; I527-T533 PolarHBondContact O-N 2.9Å; I527-V534 HydrophobicContact CG2-CG1 4.48Å; I527-V534 PolarHBondContact O-N 3.07Å; I527-V534 VanDerWaalsContact O-N 3.1Å; I527-V547 HydrophobicContact CD1-CB 3.85Å; I527-V547 HydrophobicContact CD1-CG1 3.79Å; I527-V547 HydrophobicContact CD1-CG2 4.4Å; I527-V547 HydrophobicContact CG1-CB 3.69Å; I527-V547 HydrophobicContact CG1-CG1 4.01Å; I527-V547 HydrophobicContact CG1-CG2 3.7Å
528G86.1Confident86.3Confident12 Ų1248.2 Ų48.212%0.12427%0.27CS..  trans76.7164.8-173.700000113G524 R525 G530 G531 T533G524-G528 WeakPolarHBondContact O-CA 3.47Å; G524-G528 PolarHBondContact O-N 3.03Å; R525-G528 PolarHBondContact O-N 3.19Å; G528-G530 PolarHBondContact O-N 3.44Å; G528-G530 VanDerWaalsContact O-N 3.07Å; G528-G531 PolarHBondContact O-N 2.8Å; G528-T533 WeakPolarHBondContact CA-OG1 3.3Å
529K85.3Confident85.8Confident190 Ų19049.7 Ų49.783%0.82628%0.278SS*.G310 helixtrans-58.2115.7179.2-65.2-176.5180-1770110G531 K532K529-G531 VanDerWaalsContact C-N 3.3Å; K529-G531 PolarHBondContact O-N 3.43Å; K529-K532 WeakPolarHBondContact O-CB 3.14Å; K529-K532 WeakPolarHBondContact O-CD 3.42Å; K529-K532 VanDerWaalsContact O-CG 3.27Å; K529-K532 WeakPolarHBondContact O-CG 3.49Å; K529-K532 PolarHBondContact O-N 2.86Å
530G81.8Confident85.4Confident75 Ų7552.6 Ų52.677%0.77329%0.292SS*.G310 helixtrans67.721.5-178.400000115G528 K532G528-G530 PolarHBondContact O-N 3.44Å; G528-G530 VanDerWaalsContact O-N 3.07Å; G530-K532 VanDerWaalsContact C-N 3.31Å; G530-K532 PolarHBondContact O-N 3.41Å
531G84.7Confident85.3Confident10 Ų1050.9 Ų50.910%0.10328%0.28CS..G310 helixtrans78.611-177.900000114.6I527 G528 K529 T533 V534 N535I527-G531 CarbonylContact O-C 3.52Å; I527-G531 VanDerWaalsContact O-CA 3.26Å; I527-G531 WeakPolarHBondContact O-CA 3.4Å; G528-G531 PolarHBondContact O-N 2.8Å; K529-G531 VanDerWaalsContact C-N 3.3Å; K529-G531 PolarHBondContact O-N 3.43Å; G531-T533 PolarHBondContact O-N 3.05Å; G531-V534 WeakPolarHBondContact O-CG1 3.32Å; G531-N535 WeakPolarHBondContact O-CB 3.12Å; G531-N535 PolarHBondContact O-N 3.3Å
532K82.8Confident85.2Confident64 Ų6448.9 Ų48.928%0.27828%0.278SS..Hα-helixtrans-59.1-46.1-177.2-77.8174.4177.4164.40113.3E294 K529 G530 N535 E536E294-K532 HydrophobicContact CG-CG 4.48Å; E294-K532 WeakPolarHBondContact OE1-CE 3.4Å; E294-K532 IonicContact OE1-NZ 2.68Å; E294-K532 PolarHBondContact OE1-NZ 3.11Å; E294-K532 WeakPolarHBondContact OE2-CE 3.48Å; E294-K532 IonicContact OE2-NZ 3.09Å; E294-K532 PolarHBondContact OE2-NZ 3.42Å; K529-K532 WeakPolarHBondContact O-CB 3.14Å; K529-K532 WeakPolarHBondContact O-CD 3.42Å; K529-K532 VanDerWaalsContact O-CG 3.27Å; K529-K532 WeakPolarHBondContact O-CG 3.49Å; K529-K532 PolarHBondContact O-N 2.86Å; G530-K532 VanDerWaalsContact C-N 3.31Å; G530-K532 PolarHBondContact O-N 3.41Å; K532-N535 PolarHBondContact O-N 2.82Å; K532-E536 WeakPolarHBondContact O-CB 3.27Å; K532-E536 PolarHBondContact O-N 2.83Å
533T86.9Confident85.2Confident43 Ų4348.9 Ų48.926%0.26428%0.278SS..Hα-helixtrans-70.6-41.2-174.5-58.70000110.8V526 I527 G528 G531 E536 L537 I580V526-T533 WeakPolarHBondContact O-CB 3.19Å; V526-T533 WeakPolarHBondContact O-CG2 3.23Å; I527-T533 PolarHBondContact O-N 2.9Å; G528-T533 WeakPolarHBondContact CA-OG1 3.3Å; G531-T533 PolarHBondContact O-N 3.05Å; T533-E536 PolarHBondContact O-N 2.99Å; T533-L537 WeakPolarHBondContact O-CB 3.48Å; T533-L537 PolarHBondContact O-N 3.23Å; T533-I580 HydrophobicContact CG2-CD1 3.75Å
534V88.8Confident85.3Confident14 Ų1453.7 Ų53.79%0.08530%0.299CS..Hα-helixtrans-66.7-40.4176.267.10000111.7V526 I527 G531 E536 L537 Q538 V545V526-V534 PolarHBondContact O-N 3.12Å; I527-V534 HydrophobicContact CG2-CG1 4.48Å; I527-V534 PolarHBondContact O-N 3.07Å; I527-V534 VanDerWaalsContact O-N 3.1Å; G531-V534 WeakPolarHBondContact O-CG1 3.32Å; V534-E536 PolarHBondContact O-N 3.15Å; V534-L537 WeakPolarHBondContact O-CB 3.31Å; V534-L537 PolarHBondContact O-N 3.18Å; V534-Q538 WeakPolarHBondContact O-CG 3.45Å; V534-Q538 PolarHBondContact O-N 2.78Å; V534-V545 HydrophobicContact CG2-CB 3.88Å; V534-V545 HydrophobicContact CG2-CG1 3.81Å; V534-V545 WeakPolarHBondContact CG2-O 3.49Å
535N85.6Confident85.6Confident91 Ų9151.5 Ų51.549%0.48728%0.277SS..Hα-helixtrans-64.1-40.7175.7-77.15000112.4G531 K532 L537 Q538 N539G531-N535 WeakPolarHBondContact O-CB 3.12Å; G531-N535 PolarHBondContact O-N 3.3Å; K532-N535 PolarHBondContact O-N 2.82Å; N535-L537 VanDerWaalsContact C-N 3.32Å; N535-Q538 PolarHBondContact O-N 3.48Å; N535-N539 WeakPolarHBondContact O-CB 3.48Å; N535-N539 VanDerWaalsContact O-CG 3.23Å; N535-N539 PolarHBondContact O-N 3.06Å; N535-N539 PolarHBondContact O-ND2 2.75Å
536E84.4Confident85.8Confident100 Ų10049.6 Ų49.647%0.46728%0.276SS..Hα-helixtrans-61.5-42.6173.7-177.7171.7-172.600111.1K532 T533 V534 N539 L540K532-E536 WeakPolarHBondContact O-CB 3.27Å; K532-E536 PolarHBondContact O-N 2.83Å; T533-E536 PolarHBondContact O-N 2.99Å; V534-E536 PolarHBondContact O-N 3.15Å; E536-N539 PolarHBondContact O-N 3.38Å; E536-L540 HydrophobicContact CG-CD1 3.96Å; E536-L540 HydrophobicContact CG-CG 4.49Å; E536-L540 WeakPolarHBondContact O-CB 3.49Å; E536-L540 VanDerWaalsContact O-CG 3.3Å; E536-L540 WeakPolarHBondContact O-CG 3.21Å; E536-L540 PolarHBondContact O-N 2.76Å
537L85.6Confident85.9Confident10 Ų1050.5 Ų50.55%0.05228%0.282CS..Hα-helixtrans-63.7-44.1177.3-165.7147.5000111.7T533 V534 N535 N539 L540 T541 V545 A573 K576 I577 I580T533-L537 WeakPolarHBondContact O-CB 3.48Å; T533-L537 PolarHBondContact O-N 3.23Å; V534-L537 WeakPolarHBondContact O-CB 3.31Å; V534-L537 PolarHBondContact O-N 3.18Å; N535-L537 VanDerWaalsContact C-N 3.32Å; L537-N539 PolarHBondContact O-N 3.46Å; L537-L540 PolarHBondContact O-N 3.33Å; L537-T541 HydrophobicContact CD2-CG2 4.39Å; L537-T541 HydrophobicContact CG-CG2 4.46Å; L537-T541 WeakPolarHBondContact O-CB 3.47Å; L537-T541 VanDerWaalsContact O-CG2 3.27Å; L537-T541 WeakPolarHBondContact O-CG2 3.42Å; L537-T541 PolarHBondContact O-N 3.13Å; L537-T541 PolarHBondContact O-OG1 3.24Å; L537-V545 HydrophobicContact CD2-CB 4.15Å; L537-V545 HydrophobicContact CD2-CG1 4.36Å; L537-V545 HydrophobicContact CD2-CG2 3.45Å; L537-V545 VanDerWaalsContact CD2-CG2 3.45Å; L537-A573 HydrophobicContact CD2-CB 3.85Å; L537-K576 HydrophobicContact CD1-CB 3.76Å; L537-K576 HydrophobicContact CG-CB 4.2Å; L537-I577 HydrophobicContact CD1-CD1 4.45Å; L537-I577 HydrophobicContact CD1-CG1 3.62Å; L537-I580 HydrophobicContact CD1-CD1 4.23Å
538Q86.3Confident85.6Confident36 Ų3650.4 Ų50.417%0.16828%0.284CS..Hα-helixtrans-62.4-42.3174.9-67.1-177.337.900112V534 N535 L540 C542 A543 V545V534-Q538 WeakPolarHBondContact O-CG 3.45Å; V534-Q538 PolarHBondContact O-N 2.78Å; N535-Q538 PolarHBondContact O-N 3.48Å; Q538-L540 PolarHBondContact O-N 3.41Å; Q538-C542 WeakPolarHBondContact O-CA 3.09Å; Q538-C542 PolarHBondContact O-N 3.08Å; Q538-A543 VanDerWaalsContact CA-O 3.31Å; Q538-A543 WeakPolarHBondContact CA-O 3.36Å; Q538-A543 WeakPolarHBondContact CB-O 3.4Å; Q538-A543 VanDerWaalsContact CG-O 3.31Å; Q538-A543 WeakPolarHBondContact CG-O 3.43Å; Q538-V545 HydrophobicContact CG-CB 3.96Å; Q538-V545 HydrophobicContact CG-CG2 4.29Å; Q538-V545 PolarHBondContact NE2-O 3.23Å
539N80.8Confident85Confident32 Ų3260.1 Ų60.117%0.17132%0.317CS..Hα-helixtrans-65.1-39.9178.3-74.9-27.6000112.9N284 N535 E536 L537N284-N539 PolarHBondContact ND2-O 3.49Å; N535-N539 WeakPolarHBondContact O-CB 3.48Å; N535-N539 VanDerWaalsContact O-CG 3.23Å; N535-N539 PolarHBondContact O-N 3.06Å; N535-N539 PolarHBondContact O-ND2 2.75Å; E536-N539 PolarHBondContact O-N 3.38Å; L537-N539 PolarHBondContact O-N 3.46Å
540L81.3Confident84.4Confident83 Ų8358.9 Ų58.944%0.43532%0.319SS..Hα-helixtrans-75.9-32.5-179.3-72173.1000112.9E536 L537 Q538E536-L540 HydrophobicContact CG-CD1 3.96Å; E536-L540 HydrophobicContact CG-CG 4.49Å; E536-L540 WeakPolarHBondContact O-CB 3.49Å; E536-L540 VanDerWaalsContact O-CG 3.3Å; E536-L540 WeakPolarHBondContact O-CG 3.21Å; E536-L540 PolarHBondContact O-N 2.76Å; L537-L540 PolarHBondContact O-N 3.33Å; Q538-L540 PolarHBondContact O-N 3.41Å
541T83.9Confident84.1Confident6 Ų657.8 Ų57.84%0.03729%0.294CS..Hα-helixtrans-102.1-14-171.965.40000113.9L537 A543 A569 L572 A573 K576L537-T541 HydrophobicContact CD2-CG2 4.39Å; L537-T541 HydrophobicContact CG-CG2 4.46Å; L537-T541 WeakPolarHBondContact O-CB 3.47Å; L537-T541 VanDerWaalsContact O-CG2 3.27Å; L537-T541 WeakPolarHBondContact O-CG2 3.42Å; L537-T541 PolarHBondContact O-N 3.13Å; L537-T541 PolarHBondContact O-OG1 3.24Å; T541-A543 PolarHBondContact O-N 3.47Å; T541-A543 PolarHBondContact OG1-N 3.43Å; T541-A569 VanDerWaalsContact O-CA 3.3Å; T541-A569 WeakPolarHBondContact O-CA 3.2Å; T541-A569 WeakPolarHBondContact O-CB 3.35Å; T541-L572 HydrophobicContact CG2-CB 4.09Å; T541-L572 HydrophobicContact CG2-CD2 3.93Å; T541-L572 HydrophobicContact CG2-CG 3.67Å; T541-A573 HydrophobicContact CG2-CB 4.22Å; T541-K576 HydrophobicContact CG2-CG 4.41Å
542C82.3Confident83.6Confident63 Ų6363.5 Ų63.543%0.42633%0.327SS..  trans58.49.3-169.7-51.30000113.7N284 Q538N284-C542 PolarHBondContact ND2-SG 3.28Å; Q538-C542 WeakPolarHBondContact O-CA 3.09Å; Q538-C542 PolarHBondContact O-N 3.08Å
543A85.6Confident83.4Confident2 Ų263.4 Ų63.42%0.01733%0.333CS..  trans-89.1143.6172.500000109.4Q538 T541 V545 I563 S564 A569 A573Q538-A543 VanDerWaalsContact CA-O 3.31Å; Q538-A543 WeakPolarHBondContact CA-O 3.36Å; Q538-A543 WeakPolarHBondContact CB-O 3.4Å; Q538-A543 VanDerWaalsContact CG-O 3.31Å; Q538-A543 WeakPolarHBondContact CG-O 3.43Å; T541-A543 PolarHBondContact O-N 3.47Å; T541-A543 PolarHBondContact OG1-N 3.43Å; A543-V545 HydrophobicContact CB-CG2 4.35Å; A543-I563 HydrophobicContact CB-CG2 4.07Å; A543-S564 CarbonylContact C-O 3.58Å; A543-S564 WeakPolarHBondContact CA-O 3.35Å; A543-A569 HydrophobicContact CB-CB 4.07Å; A543-A573 HydrophobicContact CB-CB 3.86Å
544E90.3Very high83.2Confident108 Ų10863.6 Ų63.651%0.50533%0.332SS..EExtended strand (participates in β ladder)trans-78.7125.2167-178.6176.7-172.400108.6V546 I563 S564E544-V546 HydrophobicContact CG-CG2 4.12Å; E544-I563 CarbonylContact O-C 3.59Å; E544-I563 WeakPolarHBondContact O-CA 3.26Å; E544-S564 PolarHBondContact N-O 2.92Å; E544-S564 PolarHBondContact O-N 2.91Å
545V91.9Very high82.8Confident2 Ų272.3 Ų72.31%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-125.7115-177.4-178.90000109.6V534 L537 Q538 A543 V561 K562 I563 A573 I577V534-V545 HydrophobicContact CG2-CB 3.88Å; V534-V545 HydrophobicContact CG2-CG1 3.81Å; V534-V545 WeakPolarHBondContact CG2-O 3.49Å; L537-V545 HydrophobicContact CD2-CB 4.15Å; L537-V545 HydrophobicContact CD2-CG1 4.36Å; L537-V545 HydrophobicContact CD2-CG2 3.45Å; L537-V545 VanDerWaalsContact CD2-CG2 3.45Å; Q538-V545 HydrophobicContact CG-CB 3.96Å; Q538-V545 HydrophobicContact CG-CG2 4.29Å; Q538-V545 PolarHBondContact NE2-O 3.23Å; A543-V545 HydrophobicContact CB-CG2 4.35Å; V545-V561 HydrophobicContact CG1-CG1 3.68Å; V545-K562 CarbonylContact C-O 3.54Å; V545-K562 WeakPolarHBondContact CA-O 3.28Å; V545-I563 HydrophobicContact CG1-CG1 4.48Å; V545-I563 HydrophobicContact CG2-CG1 4.32Å; V545-I563 HydrophobicContact CG2-CG2 4.26Å; V545-A573 HydrophobicContact CG2-CB 4.18Å; V545-I577 HydrophobicContact CG1-CD1 4.13Å
546V90.8Very high82.6Confident62 Ų6273.5 Ų73.538%0.37638%0.378SS..EExtended strand (participates in β ladder)trans-120.2126.4-175.9-178.30000108.9E544 P548 K562E544-V546 HydrophobicContact CG-CG2 4.12Å; V546-P548 WeakPolarHBondContact O-CD 3.4Å; V546-K562 HydrophobicContact CB-CB 4.37Å; V546-K562 PolarHBondContact N-O 3.31Å; V546-K562 PolarHBondContact O-N 2.95Å
547V89.3Confident82.6Confident18 Ų1873.8 Ų73.811%0.10938%0.383CS..  trans-109.899.3169.5-168.40000107V526 I527 R549 V561V526-V547 HydrophobicContact CG1-CG2 4.45Å; I527-V547 HydrophobicContact CD1-CB 3.85Å; I527-V547 HydrophobicContact CD1-CG1 3.79Å; I527-V547 HydrophobicContact CD1-CG2 4.4Å; I527-V547 HydrophobicContact CG1-CB 3.69Å; I527-V547 HydrophobicContact CG1-CG1 4.01Å; I527-V547 HydrophobicContact CG1-CG2 3.7Å; V547-R549 PolarHBondContact O-N 3.11Å; V547-V561 HydrophobicContact CG1-CG2 4.33Å; V547-V561 HydrophobicContact CG2-CB 4.47Å; V547-V561 HydrophobicContact CG2-CG1 4Å; V547-V561 HydrophobicContact CG2-CG2 3.96Å
548P84.3Confident82.7Confident38 Ų3876.3 Ų76.325%0.24739%0.394CS..  trans-60.2134.4-179.8-10.715.5000111V546 Q551 K562V546-P548 WeakPolarHBondContact O-CD 3.4Å; P548-Q551 HydrophobicContact CB-CG 3.66Å; P548-Q551 HydrophobicContact CG-CG 4.18Å; P548-Q551 WeakPolarHBondContact O-CG 3.43Å; P548-Q551 PolarHBondContact O-NE2 2.81Å; P548-K562 HydrophobicContact CG-CD 4.15Å; P548-K562 HydrophobicContact CG-CG 4.4Å
549R71.6Confident82.9Confident216 Ų21675.3 Ų75.382%0.81539%0.391SS*.THydrogen-bonded Turntrans-83.6-25.5-170.1-65-177.2-177.7-1792.2113.6V547V547-R549 PolarHBondContact O-N 3.11Å
550D73.3Confident83.3Confident164 Ų16476.2 Ų76.288%0.87740%0.395SS*.THydrogen-bonded Turntrans-9923.8-173.3-51.5-46.1000112.8
551Q75.7Confident83.9Confident52 Ų5272.3 Ų72.324%0.24338%0.375CS..PPolyproline II helixtrans-84.9127.1179.8-54.3179.896.100109.7P548 I560P548-Q551 HydrophobicContact CB-CG 3.66Å; P548-Q551 HydrophobicContact CG-CG 4.18Å; P548-Q551 WeakPolarHBondContact O-CG 3.43Å; P548-Q551 PolarHBondContact O-NE2 2.81Å; Q551-I560 PolarHBondContact NE2-O 3.1Å
552T73.4Confident84.4Confident129 Ų12975.6 Ų75.679%0.79139%0.389SS*.PPolyproline II helixtrans-70.8129.8163.649.70000108.7
553P80.2Confident85Confident62 Ų6272.6 Ų72.640%0.40337%0.368SS..PPolyproline II helixtrans-52.6143.8171.1-22.232.1000110.5Q558 V559P553-Q558 WeakPolarHBondContact CA-O 3.42Å; P553-V559 HydrophobicContact CB-CG1 4.45Å; P553-V559 HydrophobicContact CG-CG1 4.37Å
554D81.8Confident85.3Confident47 Ų4774.2 Ų74.225%0.25138%0.379SS..  trans-71.9178.9174.174.54.1000111.7K517 N556 D557 Q558K517-D554 IonicContact NZ-OD2 2.81Å; K517-D554 PolarHBondContact NZ-OD2 2.71Å; D554-N556 PolarHBondContact O-N 2.95Å; D554-N556 WeakPolarHBondContact OD1-CA 3.39Å; D554-N556 PolarHBondContact OD1-N 3.01Å; D554-D557 PolarHBondContact O-N 3.37Å; D554-D557 PolarHBondContact OD1-N 3.28Å; D554-Q558 PolarHBondContact N-O 2.88Å; D554-Q558 WeakPolarHBondContact OD1-CA 3.36Å; D554-Q558 WeakPolarHBondContact OD1-CB 3.45Å; D554-Q558 PolarHBondContact OD1-N 3.38Å
555E81.6Confident85.1Confident198 Ų19869.4 Ų69.493%0.92536%0.359SS*.THydrogen-bonded Turntrans-56.1-17.9179.3-64.4178.5166.500113.9
556N81.2Confident84.9Confident115 Ų11570.5 Ų70.562%0.61536%0.364SS*.THydrogen-bonded Turntrans-102.917.7177.6-61-68.9000112.6D554 Q558D554-N556 PolarHBondContact O-N 2.95Å; D554-N556 WeakPolarHBondContact OD1-CA 3.39Å; D554-N556 PolarHBondContact OD1-N 3.01Å; N556-Q558 HydrophobicContact CB-CG 4.06Å; N556-Q558 WeakPolarHBondContact O-CG 3.19Å; N556-Q558 PolarHBondContact O-N 3.18Å
557D84.3Confident84.6Confident107 Ų10768.5 Ų68.557%0.57235%0.35SS*.SBendtrans55.532.9-173.5-74.4-38.9000113.4S520 D554S520-D557 VanDerWaalsContact CB-O 3.22Å; S520-D557 WeakPolarHBondContact CB-O 3.31Å; S520-D557 PolarHBondContact N-O 2.9Å; S520-D557 PolarHBondContact OG-O 3.06Å; S520-D557 VanDerWaalsContact OG-O 3.09Å; D554-D557 PolarHBondContact O-N 3.37Å; D554-D557 PolarHBondContact OD1-N 3.28Å
558Q86.7Confident84.4Confident62 Ų6274.4 Ų74.429%0.2938%0.375SS..EExtended strand (participates in β ladder)trans-103.6146.6179.1-54.7-179.3-10.100111.6K517 V518 P553 D554 N556K517-Q558 HydrophobicContact CB-CB 4.21Å; K517-Q558 VanDerWaalsContact CB-OE1 3.25Å; K517-Q558 HydrophobicContact CD-CB 4.49Å; V518-Q558 CarbonylContact O-C 3.38Å; V518-Q558 VanDerWaalsContact O-CA 3.32Å; V518-Q558 WeakPolarHBondContact O-CA 3.47Å; P553-Q558 WeakPolarHBondContact CA-O 3.42Å; D554-Q558 PolarHBondContact N-O 2.88Å; D554-Q558 WeakPolarHBondContact OD1-CA 3.36Å; D554-Q558 WeakPolarHBondContact OD1-CB 3.45Å; D554-Q558 PolarHBondContact OD1-N 3.38Å; N556-Q558 HydrophobicContact CB-CG 4.06Å; N556-Q558 WeakPolarHBondContact O-CG 3.19Å; N556-Q558 PolarHBondContact O-N 3.18Å
559V90.5Very high84.4Confident16 Ų1673.2 Ų73.210%0.09737%0.368CS..EExtended strand (participates in β ladder)trans-119.4157.8172.8-58.80000109.9V518 A523 P553V518-V559 HydrophobicContact CG2-CG2 3.6Å; V518-V559 PolarHBondContact N-O 3.18Å; V518-V559 PolarHBondContact O-N 2.99Å; A523-V559 HydrophobicContact CB-CG2 3.34Å; P553-V559 HydrophobicContact CB-CG1 4.45Å; P553-V559 HydrophobicContact CG-CG1 4.37Å
560I90.5Very high85.2Confident51 Ų5163 Ų6326%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-93.9133.6-177.1-61.1168.8000110H515 Q551 K562H515-I560 HydrophobicContact CB-CG2 3.58Å; Q551-I560 PolarHBondContact NE2-O 3.1Å; I560-K562 HydrophobicContact CG2-CG 4.4Å
561V93.3Very high85.9Confident0 Ų056.3 Ų56.30%029%0.293CS..EExtended strand (participates in β ladder)trans-106.9123.8165.9-179.20000108.2H515 I516 V518 V545 V547 I563 I577H515-V561 WeakPolarHBondContact CA-O 3.31Å; I516-V561 HydrophobicContact CG1-CB 3.91Å; I516-V561 PolarHBondContact N-O 3.41Å; I516-V561 PolarHBondContact O-N 3.12Å; V518-V561 HydrophobicContact CB-CG2 4.3Å; V518-V561 HydrophobicContact CG1-CB 4.47Å; V518-V561 HydrophobicContact CG1-CG2 3.7Å; V518-V561 HydrophobicContact CG2-CG2 3.54Å; V545-V561 HydrophobicContact CG1-CG1 3.68Å; V547-V561 HydrophobicContact CG1-CG2 4.33Å; V547-V561 HydrophobicContact CG2-CB 4.47Å; V547-V561 HydrophobicContact CG2-CG1 4Å; V547-V561 HydrophobicContact CG2-CG2 3.96Å; V561-I563 HydrophobicContact CG1-CG1 4.28Å; V561-I577 HydrophobicContact CG1-CD1 3.93Å
562K94.4Very high86.4Confident76 Ų7656.6 Ų56.633%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-92.9129.1177.9-53.3-175.5167.7-165.10109.2E513 V545 V546 P548 I560E513-K562 WeakPolarHBondContact OE1-CD 3.48Å; V545-K562 CarbonylContact C-O 3.54Å; V545-K562 WeakPolarHBondContact CA-O 3.28Å; V546-K562 HydrophobicContact CB-CB 4.37Å; V546-K562 PolarHBondContact N-O 3.31Å; V546-K562 PolarHBondContact O-N 2.95Å; P548-K562 HydrophobicContact CG-CD 4.15Å; P548-K562 HydrophobicContact CG-CG 4.4Å; I560-K562 HydrophobicContact CG2-CG 4.4Å
563I94.1Very high87.2Confident0 Ų050.4 Ų50.40%026%0.258CS..EExtended strand (participates in β ladder)trans-126.4118.2-178.8-55.9169.4000107E513 A514 I516 A543 E544 V545 V561 C570 A573 Q574 I577E513-I563 CarbonylContact C-O 3.59Å; E513-I563 WeakPolarHBondContact CA-O 3.43Å; A514-I563 PolarHBondContact N-O 3.27Å; A514-I563 PolarHBondContact O-N 3.08Å; I516-I563 HydrophobicContact CD1-CD1 3.82Å; I516-I563 HydrophobicContact CG1-CD1 4.1Å; I516-I563 HydrophobicContact CG2-CD1 4.38Å; A543-I563 HydrophobicContact CB-CG2 4.07Å; E544-I563 CarbonylContact O-C 3.59Å; E544-I563 WeakPolarHBondContact O-CA 3.26Å; V545-I563 HydrophobicContact CG1-CG1 4.48Å; V545-I563 HydrophobicContact CG2-CG1 4.32Å; V545-I563 HydrophobicContact CG2-CG2 4.26Å; V561-I563 HydrophobicContact CG1-CG1 4.28Å; I563-C570 HydrophobicContact CG2-CB 4.29Å; I563-A573 HydrophobicContact CG2-CB 3.72Å; I563-Q574 HydrophobicContact CD1-CG 3.62Å; I563-I577 HydrophobicContact CD1-CD1 3.62Å; I563-I577 HydrophobicContact CG1-CD1 4.08Å
564S91.6Very high87.7Confident35 Ų3548.1 Ų48.125%0.24524%0.242CC..EExtended strand (participates in β ladder)trans-120.7136.4179.8-179.60000110.7L512 A543 E544L512-S564 WeakPolarHBondContact O-CA 3.42Å; A543-S564 CarbonylContact C-O 3.58Å; A543-S564 WeakPolarHBondContact CA-O 3.35Å; E544-S564 PolarHBondContact N-O 2.92Å; E544-S564 PolarHBondContact O-N 2.91Å
565G87.1Confident88Confident7 Ų752.9 Ų52.97%0.07226%0.256CS..EExtended strand (participates in β ladder)trans159.5-168.3177.100000113.9K511 L512 C570K511-G565 WeakPolarHBondContact CA-O 3.43Å; L512-G565 PolarHBondContact N-O 2.67Å; L512-G565 VanDerWaalsContact N-O 3.1Å; L512-G565 PolarHBondContact O-N 3.06Å; L512-G565 VanDerWaalsContact O-N 3.15Å; G565-C570 VanDerWaalsContact C-SG 3.53Å; G565-C570 PolarHBondContact N-SG 3.39Å; G565-C570 VanDerWaalsContact N-SG 3.4Å; G565-C570 PolarHBondContact O-SG 3.1Å; G565-C570 VanDerWaalsContact O-SG 3.33Å
566H87.2Confident88.3Confident25 Ų2546.8 Ų46.812%0.11623%0.226CC..  trans-70.7166.4173.4-57.9-57.9000111.6E509 V510 K511 F568 A569 C570E509-H566 VanDerWaalsContact CB-CE1 3.48Å; E509-H566 WeakPolarHBondContact CB-CE1 3.38Å; E509-H566 VanDerWaalsContact CG-ND1 3.34Å; E509-H566 WeakPolarHBondContact CG-ND1 3.02Å; E509-H566 IonicContact OE2-CD2 3.51Å; E509-H566 IonicContact OE2-CE1 3.37Å; E509-H566 PolarHBondContact OE2-CE1 3.21Å; E509-H566 VanDerWaalsContact OE2-CE1 3.27Å; E509-H566 IonicContact OE2-CG 2.93Å; E509-H566 IonicContact OE2-ND1 3.51Å; E509-H566 PolarHBondContact OE2-ND1 3.21Å; E509-H566 IonicContact OE2-NE2 2.9Å; E509-H566 PolarHBondContact OE2-NE2 2.95Å; V510-H566 PolarHBondContact O-ND1 3.05Å; K511-H566 WeakPolarHBondContact CE-CE1 3.39Å; K511-H566 WeakPolarHBondContact CE-NE2 3.5Å; K511-H566 WeakPolarHBondContact CG-CE1 3.28Å; K511-H566 WeakPolarHBondContact CG-ND1 3.2Å; H566-F568 PolarHBondContact O-N 2.77Å; H566-A569 PolarHBondContact O-N 2.77Å; H566-C570 WeakPolarHBondContact O-CB 3.48Å; H566-C570 PolarHBondContact O-N 3.21Å; H566-C570 PolarHBondContact O-SG 3.5Å; H566-C570 VanDerWaalsContact O-SG 3.33Å
567F84.7Confident88.8Confident20 Ų2041.3 Ų41.39%0.08820%0.197CC..Hα-helixtrans-50.3-58-177.3173.5-111.4000112.4F488 Q491 C492 F495 A569 C570 Q571F488-F567 HydrophobicContact CD1-CZ 4.34Å; F488-F567 AromaticContact CD2-CZ 3.85Å; F488-F567 HydrophobicContact CD2-CZ 3.85Å; F488-F567 HydrophobicContact CE1-CE1 4.4Å; F488-F567 AromaticContact CE1-CZ 3.99Å; F488-F567 HydrophobicContact CE1-CZ 3.99Å; F488-F567 AromaticContact CE2-CE1 3.82Å; F488-F567 HydrophobicContact CE2-CE1 3.82Å; F488-F567 HydrophobicContact CE2-CE2 4.5Å; F488-F567 AromaticContact CE2-CZ 3.46Å; F488-F567 HydrophobicContact CE2-CZ 3.46Å; F488-F567 VanDerWaalsContact CE2-CZ 3.46Å; F488-F567 HydrophobicContact CG-CZ 4.28Å; F488-F567 AromaticContact CZ-CE1 3.68Å; F488-F567 HydrophobicContact CZ-CE1 3.68Å; F488-F567 AromaticContact CZ-CZ 3.53Å; F488-F567 HydrophobicContact CZ-CZ 3.53Å; Q491-F567 HydrophobicContact CB-CE2 4.08Å; C492-F567 VanDerWaalsContact CA-CE2 3.43Å; C492-F567 HydrophobicContact CB-CE1 4.16Å; C492-F567 HydrophobicContact CB-CE2 3.74Å; C492-F567 HydrophobicContact CB-CZ 3.49Å; C492-F567 VanDerWaalsContact CB-CZ 3.49Å; C492-F567 VanDerWaalsContact N-CE2 3.33Å; F495-F567 HydrophobicContact CB-CB 4.3Å; F495-F567 HydrophobicContact CB-CD2 4.48Å; F495-F567 HydrophobicContact CD1-CB 3.93Å; F495-F567 HydrophobicContact CD2-CB 4.28Å; F495-F567 AromaticContact CD2-CD2 3.83Å; F495-F567 HydrophobicContact CD2-CD2 3.83Å; F495-F567 HydrophobicContact CE1-CB 4.24Å; F495-F567 HydrophobicContact CE2-CD2 4.2Å; F495-F567 HydrophobicContact CG-CB 3.94Å; F495-F567 HydrophobicContact CG-CD2 4.2Å; F495-F567 HydrophobicContact CG-CG 4.48Å; F567-A569 VanDerWaalsContact C-N 3.35Å; F567-A569 PolarHBondContact O-N 3.16Å; F567-C570 PolarHBondContact O-N 2.96Å; F567-Q571 HydrophobicContact CD2-CG 3.97Å; F567-Q571 HydrophobicContact CE1-CG 4.3Å; F567-Q571 HydrophobicContact CE2-CG 3.52Å; F567-Q571 HydrophobicContact CZ-CG 3.71Å; F567-Q571 VanDerWaalsContact O-CG 3.3Å; F567-Q571 WeakPolarHBondContact O-CG 3.09Å; F567-Q571 PolarHBondContact O-N 3.03Å
568F84.3Confident89.1Confident143 Ų14337.9 Ų37.963%0.62718%0.178SC*.Hα-helixtrans-64.6-37.3-177.2-67.3-68.8000113.3H566 Q571 L572H566-F568 PolarHBondContact O-N 2.77Å; F568-Q571 PolarHBondContact O-N 2.82Å; F568-L572 WeakPolarHBondContact O-CB 3.35Å; F568-L572 PolarHBondContact O-N 3.04Å
569A84.2Confident89.1Confident12 Ų1238.3 Ų38.310%0.09918%0.18CC..Hα-helixtrans-62.6-48.3176.700000111.1T541 A543 H566 F567 L572 A573T541-A569 VanDerWaalsContact O-CA 3.3Å; T541-A569 WeakPolarHBondContact O-CA 3.2Å; T541-A569 WeakPolarHBondContact O-CB 3.35Å; A543-A569 HydrophobicContact CB-CB 4.07Å; H566-A569 PolarHBondContact O-N 2.77Å; F567-A569 VanDerWaalsContact C-N 3.35Å; F567-A569 PolarHBondContact O-N 3.16Å; A569-L572 PolarHBondContact O-N 3.42Å; A569-A573 WeakPolarHBondContact O-CB 3.36Å; A569-A573 PolarHBondContact O-N 3.16Å
570C88.9Confident89.1Confident1 Ų138.6 Ų38.61%0.00718%0.181CC..Hα-helixtrans-62.2-44.9177.3-68.60000112I563 G565 H566 F567 L572 A573 Q574I563-C570 HydrophobicContact CG2-CB 4.29Å; G565-C570 VanDerWaalsContact C-SG 3.53Å; G565-C570 PolarHBondContact N-SG 3.39Å; G565-C570 VanDerWaalsContact N-SG 3.4Å; G565-C570 PolarHBondContact O-SG 3.1Å; G565-C570 VanDerWaalsContact O-SG 3.33Å; H566-C570 WeakPolarHBondContact O-CB 3.48Å; H566-C570 PolarHBondContact O-N 3.21Å; H566-C570 PolarHBondContact O-SG 3.5Å; H566-C570 VanDerWaalsContact O-SG 3.33Å; F567-C570 PolarHBondContact O-N 2.96Å; C570-L572 PolarHBondContact O-N 3.34Å; C570-A573 PolarHBondContact O-N 3.42Å; C570-Q574 WeakPolarHBondContact O-CB 3.28Å; C570-Q574 VanDerWaalsContact O-CG 3.27Å; C570-Q574 WeakPolarHBondContact O-CG 3.29Å; C570-Q574 PolarHBondContact O-N 2.74Å
571Q88.3Confident89Confident24 Ų2436.4 Ų36.411%0.11217%0.169CC..Hα-helixtrans-62.9-43.6178.9-68.7-51.6-64.900111.9F488 F567 F568 A573 Q574 R575F488-Q571 HydrophobicContact CD2-CB 4.34Å; F488-Q571 HydrophobicContact CD2-CG 3.76Å; F488-Q571 HydrophobicContact CE2-CB 4.34Å; F488-Q571 HydrophobicContact CE2-CG 3.89Å; F567-Q571 HydrophobicContact CD2-CG 3.97Å; F567-Q571 HydrophobicContact CE1-CG 4.3Å; F567-Q571 HydrophobicContact CE2-CG 3.52Å; F567-Q571 HydrophobicContact CZ-CG 3.71Å; F567-Q571 VanDerWaalsContact O-CG 3.3Å; F567-Q571 WeakPolarHBondContact O-CG 3.09Å; F567-Q571 PolarHBondContact O-N 3.03Å; F568-Q571 PolarHBondContact O-N 2.82Å; Q571-A573 VanDerWaalsContact C-N 3.34Å; Q571-Q574 PolarHBondContact O-N 3.23Å; Q571-R575 PolarHBondContact O-N 3.27Å
572L85.8Confident88.6Confident58 Ų5839.3 Ų39.330%0.30419%0.187SC..Hα-helixtrans-65.5-40.5178.5-173.459.4000111.3T541 F568 A569 C570 R575 K576T541-L572 HydrophobicContact CG2-CB 4.09Å; T541-L572 HydrophobicContact CG2-CD2 3.93Å; T541-L572 HydrophobicContact CG2-CG 3.67Å; F568-L572 WeakPolarHBondContact O-CB 3.35Å; F568-L572 PolarHBondContact O-N 3.04Å; A569-L572 PolarHBondContact O-N 3.42Å; C570-L572 PolarHBondContact O-N 3.34Å; L572-R575 PolarHBondContact O-N 3.14Å; L572-K576 WeakPolarHBondContact O-CB 3.49Å; L572-K576 VanDerWaalsContact O-CG 3.3Å; L572-K576 WeakPolarHBondContact O-CG 3.5Å; L572-K576 PolarHBondContact O-N 2.88Å
573A89.8Confident88.3Confident0 Ų040.5 Ų40.50%019%0.194CC..Hα-helixtrans-63-47.317500000112.1L537 T541 A543 V545 I563 A569 C570 Q571 R575 K576 I577L537-A573 HydrophobicContact CD2-CB 3.85Å; T541-A573 HydrophobicContact CG2-CB 4.22Å; A543-A573 HydrophobicContact CB-CB 3.86Å; V545-A573 HydrophobicContact CG2-CB 4.18Å; I563-A573 HydrophobicContact CG2-CB 3.72Å; A569-A573 WeakPolarHBondContact O-CB 3.36Å; A569-A573 PolarHBondContact O-N 3.16Å; C570-A573 PolarHBondContact O-N 3.42Å; Q571-A573 VanDerWaalsContact C-N 3.34Å; A573-R575 PolarHBondContact O-N 3.48Å; A573-K576 PolarHBondContact O-N 3.29Å; A573-I577 VanDerWaalsContact O-CG1 3.29Å; A573-I577 WeakPolarHBondContact O-CG1 3.29Å; A573-I577 PolarHBondContact O-N 3.08Å
574Q91.1Very high87.9Confident13 Ų1341 Ų416%0.06120%0.197CC..Hα-helixtrans-55-50.7175-74.9171.25.100110.8Q491 I516 I563 C570 Q571 K576 I577 Q578Q491-Q574 VanDerWaalsContact NE2-OE1 3.12Å; I516-Q574 HydrophobicContact CG2-CG 4.21Å; I563-Q574 HydrophobicContact CD1-CG 3.62Å; C570-Q574 WeakPolarHBondContact O-CB 3.28Å; C570-Q574 VanDerWaalsContact O-CG 3.27Å; C570-Q574 WeakPolarHBondContact O-CG 3.29Å; C570-Q574 PolarHBondContact O-N 2.74Å; Q571-Q574 PolarHBondContact O-N 3.23Å; Q574-K576 PolarHBondContact O-N 3.26Å; Q574-I577 PolarHBondContact O-N 2.84Å; Q574-Q578 WeakPolarHBondContact O-CG 3.26Å; Q574-Q578 PolarHBondContact O-N 2.87Å
575R88.2Confident87.6Confident148 Ų14843.3 Ų43.356%0.55820%0.2SC*.Hα-helixtrans-60.6-43.5178.6-172.3175.166.9148.5-0.2112.6Q571 L572 A573 I577 Q578 E579Q571-R575 PolarHBondContact O-N 3.27Å; L572-R575 PolarHBondContact O-N 3.14Å; A573-R575 PolarHBondContact O-N 3.48Å; R575-I577 VanDerWaalsContact C-N 3.33Å; R575-I577 PolarHBondContact O-N 2.81Å; R575-Q578 PolarHBondContact O-N 3.13Å; R575-E579 WeakPolarHBondContact O-CG 3.05Å; R575-E579 PolarHBondContact O-N 3.24Å
576K89Confident87.4Confident69 Ų6951.6 Ų51.630%0.323%0.229SC..Hα-helixtrans-64-38.5178.2-76.8-75.7162.3-154.20112.2L537 T541 L572 A573 Q574 E579 I580L537-K576 HydrophobicContact CD1-CB 3.76Å; L537-K576 HydrophobicContact CG-CB 4.2Å; T541-K576 HydrophobicContact CG2-CG 4.41Å; L572-K576 WeakPolarHBondContact O-CB 3.49Å; L572-K576 VanDerWaalsContact O-CG 3.3Å; L572-K576 WeakPolarHBondContact O-CG 3.5Å; L572-K576 PolarHBondContact O-N 2.88Å; A573-K576 PolarHBondContact O-N 3.29Å; Q574-K576 PolarHBondContact O-N 3.26Å; K576-E579 IonicContact NZ-OE1 3.51Å; K576-E579 IonicContact NZ-OE2 3.24Å; K576-E579 PolarHBondContact NZ-OE2 3.34Å; K576-E579 PolarHBondContact O-N 3.41Å; K576-I580 WeakPolarHBondContact O-CG1 3.25Å; K576-I580 PolarHBondContact O-N 2.97Å
577I91.7Very high87.1Confident0 Ų054.7 Ų54.70%024%0.244CC..Hα-helixtrans-65.9-43.5174.6-64.5164.1000110I516 V518 V526 L537 V545 V561 I563 A573 Q574 R575 E579 I580 L581I516-I577 HydrophobicContact CD1-CB 3.97Å; I516-I577 HydrophobicContact CD1-CD1 3.86Å; I516-I577 HydrophobicContact CD1-CG2 3.65Å; V518-I577 HydrophobicContact CG1-CG2 4.08Å; V526-I577 HydrophobicContact CG1-CG1 4.1Å; V526-I577 HydrophobicContact CG1-CG2 4.19Å; V526-I577 HydrophobicContact CG2-CG2 3.97Å; L537-I577 HydrophobicContact CD1-CD1 4.45Å; L537-I577 HydrophobicContact CD1-CG1 3.62Å; V545-I577 HydrophobicContact CG1-CD1 4.13Å; V561-I577 HydrophobicContact CG1-CD1 3.93Å; I563-I577 HydrophobicContact CD1-CD1 3.62Å; I563-I577 HydrophobicContact CG1-CD1 4.08Å; A573-I577 VanDerWaalsContact O-CG1 3.29Å; A573-I577 WeakPolarHBondContact O-CG1 3.29Å; A573-I577 PolarHBondContact O-N 3.08Å; Q574-I577 PolarHBondContact O-N 2.84Å; R575-I577 VanDerWaalsContact C-N 3.33Å; R575-I577 PolarHBondContact O-N 2.81Å; I577-E579 VanDerWaalsContact C-N 3.33Å; I577-E579 PolarHBondContact O-N 3.32Å; I577-I580 WeakPolarHBondContact O-CB 3.43Å; I577-I580 PolarHBondContact O-N 3.11Å; I577-I580 VanDerWaalsContact O-N 3.1Å; I577-L581 HydrophobicContact CG2-CD1 4.41Å; I577-L581 HydrophobicContact CG2-CG 4.42Å; I577-L581 WeakPolarHBondContact O-CG 3.42Å; I577-L581 PolarHBondContact O-N 3.22Å
578Q89Confident86.6Confident36 Ų3657.1 Ų57.117%0.16826%0.255CS..Hα-helixtrans-61.7-37.7176-67.5-59.8-1.300113.3E430 Q574 R575 I580 L581 T582E430-Q578 PolarHBondContact OE1-NE2 3.31Å; E430-Q578 PolarHBondContact OE2-NE2 3.42Å; Q574-Q578 WeakPolarHBondContact O-CG 3.26Å; Q574-Q578 PolarHBondContact O-N 2.87Å; R575-Q578 PolarHBondContact O-N 3.13Å; Q578-I580 VanDerWaalsContact C-N 3.33Å; Q578-I580 PolarHBondContact O-N 3.47Å; Q578-L581 PolarHBondContact O-N 3.33Å; Q578-T582 WeakPolarHBondContact O-CB 3.34Å; Q578-T582 PolarHBondContact O-N 3.19Å; Q578-T582 PolarHBondContact O-OG1 3.21Å
579E88.3Confident86.1Confident70 Ų7055.7 Ų55.733%0.32725%0.25SS..Hα-helixtrans-58.8-44.4172.5-74.4170.8-164.400111.3R575 K576 I577 T582 Q583R575-E579 WeakPolarHBondContact O-CG 3.05Å; R575-E579 PolarHBondContact O-N 3.24Å; K576-E579 IonicContact NZ-OE1 3.51Å; K576-E579 IonicContact NZ-OE2 3.24Å; K576-E579 PolarHBondContact NZ-OE2 3.34Å; K576-E579 PolarHBondContact O-N 3.41Å; I577-E579 VanDerWaalsContact C-N 3.33Å; I577-E579 PolarHBondContact O-N 3.32Å; E579-T582 PolarHBondContact O-N 3.39Å; E579-Q583 WeakPolarHBondContact O-CG 3.28Å; E579-Q583 PolarHBondContact O-N 2.88Å
580I89.4Confident85.4Confident23 Ų2361.8 Ų61.812%0.11828%0.277CS..Hα-helixtrans-62-45.5176.3-65.4165.1000110.2R525 V526 T533 L537 K576 I577 Q578 T582 Q583 V584R525-I580 HydrophobicContact CB-CG2 4.2Å; V526-I580 HydrophobicContact CG2-CG2 4.12Å; T533-I580 HydrophobicContact CG2-CD1 3.75Å; L537-I580 HydrophobicContact CD1-CD1 4.23Å; K576-I580 WeakPolarHBondContact O-CG1 3.25Å; K576-I580 PolarHBondContact O-N 2.97Å; I577-I580 WeakPolarHBondContact O-CB 3.43Å; I577-I580 PolarHBondContact O-N 3.11Å; I577-I580 VanDerWaalsContact O-N 3.1Å; Q578-I580 VanDerWaalsContact C-N 3.33Å; Q578-I580 PolarHBondContact O-N 3.47Å; I580-T582 VanDerWaalsContact C-N 3.34Å; I580-T582 PolarHBondContact O-N 3.47Å; I580-Q583 PolarHBondContact O-N 2.99Å; I580-V584 HydrophobicContact CG2-CG2 4.41Å; I580-V584 VanDerWaalsContact O-CG2 3.31Å; I580-V584 WeakPolarHBondContact O-CG2 3.42Å; I580-V584 PolarHBondContact O-N 2.9Å
581L87.8Confident84.1Confident5 Ų569 Ų693%0.02631%0.311CS..Hα-helixtrans-61.3-42.5178.7-64.7-177.4000112V518 A522 V526 I577 Q578 Q583 V584 R585V518-L581 HydrophobicContact CB-CD1 4.22Å; V518-L581 HydrophobicContact CB-CD2 4.17Å; V518-L581 HydrophobicContact CG1-CD1 3.91Å; V518-L581 HydrophobicContact CG1-CD2 4.47Å; A522-L581 HydrophobicContact CB-CD2 3.42Å; A522-L581 VanDerWaalsContact CB-CD2 3.42Å; V526-L581 HydrophobicContact CG2-CD2 4.28Å; I577-L581 HydrophobicContact CG2-CD1 4.41Å; I577-L581 HydrophobicContact CG2-CG 4.42Å; I577-L581 WeakPolarHBondContact O-CG 3.42Å; I577-L581 PolarHBondContact O-N 3.22Å; Q578-L581 PolarHBondContact O-N 3.33Å; L581-Q583 VanDerWaalsContact C-N 3.34Å; L581-Q583 PolarHBondContact O-N 3.46Å; L581-V584 PolarHBondContact O-N 3.34Å; L581-R585 WeakPolarHBondContact O-CG 3.42Å; L581-R585 PolarHBondContact O-N 3.46Å
582T86.8Confident82.7Confident60 Ų6075.4 Ų75.437%0.36834%0.341SS..Hα-helixtrans-61.5-42.3176.7-56.50000111.5Q578 E579 I580 R585 R586Q578-T582 WeakPolarHBondContact O-CB 3.34Å; Q578-T582 PolarHBondContact O-N 3.19Å; Q578-T582 PolarHBondContact O-OG1 3.21Å; E579-T582 PolarHBondContact O-N 3.39Å; I580-T582 VanDerWaalsContact C-N 3.34Å; I580-T582 PolarHBondContact O-N 3.47Å; T582-R585 PolarHBondContact O-N 3.47Å; T582-R586 WeakPolarHBondContact O-CG 3.45Å; T582-R586 PolarHBondContact O-N 3.07Å; T582-R586 VanDerWaalsContact O-N 3.08Å
583Q86.7Confident81.2Confident102 Ų10280.2 Ų80.248%0.47736%0.361SS..Hα-helixtrans-64.2-41.3176.1-71.4174.59.400112.2E579 I580 L581 R586 Q587E579-Q583 WeakPolarHBondContact O-CG 3.28Å; E579-Q583 PolarHBondContact O-N 2.88Å; I580-Q583 PolarHBondContact O-N 2.99Å; L581-Q583 VanDerWaalsContact C-N 3.34Å; L581-Q583 PolarHBondContact O-N 3.46Å; Q583-R586 PolarHBondContact O-N 3.4Å; Q583-Q587 WeakPolarHBondContact O-CG 3.28Å; Q583-Q587 PolarHBondContact O-N 3.49Å; Q583-Q587 VanDerWaalsContact O-N 3.11Å
584V86.9Confident79Confident11 Ų1187.6 Ų87.67%0.06740%0.396CS..Hα-helixtrans-65.8-43.9178.1176.30000110.9F521 A522 R525 I580 L581 R586 Q587 Q588F521-V584 HydrophobicContact CD2-CG1 4.06Å; F521-V584 HydrophobicContact CE2-CG1 3.81Å; A522-V584 HydrophobicContact CB-CG1 4.12Å; R525-V584 HydrophobicContact CB-CG2 3.82Å; R525-V584 HydrophobicContact CG-CG2 3.78Å; I580-V584 HydrophobicContact CG2-CG2 4.41Å; I580-V584 VanDerWaalsContact O-CG2 3.31Å; I580-V584 WeakPolarHBondContact O-CG2 3.42Å; I580-V584 PolarHBondContact O-N 2.9Å; L581-V584 PolarHBondContact O-N 3.34Å; V584-R586 VanDerWaalsContact C-N 3.33Å; V584-R586 PolarHBondContact O-N 3.08Å; V584-Q587 PolarHBondContact O-N 3.46Å; V584-Q588 PolarHBondContact O-N 3.22Å; V584-Q588 VanDerWaalsContact O-N 3.13Å
585R84.1Confident76.8Confident82 Ų8292.9 Ų92.931%0.30943%0.431SS..Hα-helixtrans-57.4-44.9174.6-72.5-177.2-166.8156.26.8111.1E428 L581 T582 Q587 Q588 H589E428-R585 IonicContact OE1-NH1 3.37Å; E428-R585 PolarHBondContact OE1-NH1 2.84Å; E428-R585 VanDerWaalsContact OE1-NH1 3.1Å; E428-R585 IonicContact OE2-CZ 2.7Å; E428-R585 IonicContact OE2-NH1 2.86Å; E428-R585 PolarHBondContact OE2-NH1 3.37Å; L581-R585 WeakPolarHBondContact O-CG 3.42Å; L581-R585 PolarHBondContact O-N 3.46Å; T582-R585 PolarHBondContact O-N 3.47Å; R585-Q587 PolarHBondContact O-N 3.28Å; R585-Q588 PolarHBondContact O-N 2.85Å; R585-H589 PolarHBondContact O-N 3.02Å; R585-H589 PolarHBondContact O-ND1 3.29Å
586R83.3Confident74.8Confident181 Ų18195.6 Ų95.668%0.68345%0.447SS*.Hα-helixtrans-61.5-39.3177.7-74179.9179-1740.4113.2T582 Q583 V584 H589 Q590T582-R586 WeakPolarHBondContact O-CG 3.45Å; T582-R586 PolarHBondContact O-N 3.07Å; T582-R586 VanDerWaalsContact O-N 3.08Å; Q583-R586 PolarHBondContact O-N 3.4Å; V584-R586 VanDerWaalsContact C-N 3.33Å; V584-R586 PolarHBondContact O-N 3.08Å; R586-H589 PolarHBondContact O-N 3.42Å; R586-Q590 PolarHBondContact O-N 2.92Å
587Q80.3Confident72.6Confident91 Ų9197.3 Ų97.343%0.42547%0.468SS..Hα-helixtrans-68-36.2178.5-72.71760.600112.6Q583 V584 R585 Q590 Q591Q583-Q587 WeakPolarHBondContact O-CG 3.28Å; Q583-Q587 PolarHBondContact O-N 3.49Å; Q583-Q587 VanDerWaalsContact O-N 3.11Å; V584-Q587 PolarHBondContact O-N 3.46Å; R585-Q587 PolarHBondContact O-N 3.28Å; Q587-Q590 PolarHBondContact O-N 3.48Å; Q587-Q591 PolarHBondContact O-N 2.82Å; Q587-Q591 VanDerWaalsContact O-N 3.16Å
588Q74.9Confident70.4Confident70 Ų70103.1 Ų103.133%0.32751%0.505SS..Hα-helixtrans-65.3-42.7174.7-89.8-178.4-16.200112.8F521 V584 R585 Q590 Q591 Q592F521-Q588 VanDerWaalsContact CD2-NE2 3.34Å; F521-Q588 VanDerWaalsContact CE2-NE2 3.33Å; V584-Q588 PolarHBondContact O-N 3.22Å; V584-Q588 VanDerWaalsContact O-N 3.13Å; R585-Q588 PolarHBondContact O-N 2.85Å; Q588-Q590 VanDerWaalsContact C-N 3.25Å; Q588-Q590 PolarHBondContact O-N 3.12Å; Q588-Q591 PolarHBondContact O-N 2.97Å; Q588-Q591 VanDerWaalsContact O-N 3.14Å; Q588-Q592 PolarHBondContact O-N 3.34Å
589H72.9Confident68.3Low113 Ų113107 Ų10752%0.52354%0.537SS..Hα-helixtrans-63.2-33.6178.3-72.980.9000111.9R585 R586 Q593R585-H589 PolarHBondContact O-N 3.02Å; R585-H589 PolarHBondContact O-ND1 3.29Å; R586-H589 PolarHBondContact O-N 3.42Å; H589-Q593 WeakPolarHBondContact O-CG 3.35Å; H589-Q593 PolarHBondContact O-N 3.24Å
590Q69.5Low66.1Low140 Ų140107.2 Ų107.265%0.65456%0.558SS**Hα-helixtrans-71.5-33.3174.2-75.3176-5.100113.2R586 Q587 Q588R586-Q590 PolarHBondContact O-N 2.92Å; Q587-Q590 PolarHBondContact O-N 3.48Å; Q588-Q590 VanDerWaalsContact C-N 3.25Å; Q588-Q590 PolarHBondContact O-N 3.12Å
591Q61.8Low64Low154 Ų154109.8 Ų109.872%0.7259%0.59SS**Hα-helixtrans-74.5-28.2175.6-84.9176.1-0.800113.4Q587 Q588Q587-Q591 PolarHBondContact O-N 2.82Å; Q587-Q591 VanDerWaalsContact O-N 3.16Å; Q588-Q591 PolarHBondContact O-N 2.97Å; Q588-Q591 VanDerWaalsContact O-N 3.14Å
592Q59Low62Low158 Ų158118.7 Ų118.774%0.73863%0.631SS**Hα-helixtrans-79.4-16.7176.2-77.8177.45.500114.1Q588Q588-Q592 PolarHBondContact O-N 3.34Å
593Q54.3Low60.2Low158 Ų158121.5 Ų121.574%0.73865%0.65SS**THydrogen-bonded Turntrans-950.1179.5-73.2-179.513.400114.6H589 P595H589-Q593 WeakPolarHBondContact O-CG 3.35Å; H589-Q593 PolarHBondContact O-N 3.24Å; Q593-P595 WeakPolarHBondContact O-CD 3.44Å
594Q44.4Very low58.3Low156 Ų156122.5 Ų122.573%0.72967%0.666SS**SBendtrans-77.5120.3168.5-81.5-174.8-5.700109.8K596Q594-K596 PolarHBondContact O-N 2.98Å
595P45.1Very low56.6Low123 Ų123128.3 Ų128.380%0.79970%0.702SS**  trans-64.3127.3176.424.7-29.9000109.1Q593 S597Q593-P595 WeakPolarHBondContact O-CD 3.44Å; P595-S597 PolarHBondContact O-N 3.12Å
596K45.4Very low55.1Low205 Ų205130.5 Ų130.589%0.89173%0.726SS**  trans-55.7112.4167.2-76-178.4177.2177.70107.7Q594Q594-K596 PolarHBondContact O-N 2.98Å
597S43.3Very low53.5Low105 Ų105133.8 Ų133.873%0.73474%0.739SS**  trans-59.7136.1168.7420000109P595 S599P595-S597 PolarHBondContact O-N 3.12Å; S597-S599 PolarHBondContact O-N 3.27Å
598P46.1Very low51.9Low122 Ų122141.1 Ų141.179%0.79276%0.762SS**  trans-63.5128.9175.724.9-29.9000108.4G600P598-G600 PolarHBondContact O-N 2.89Å
599S44.1Very low50.6Low119 Ų119151.1 Ų151.183%0.83281%0.805SS**  trans-50105.9175.849.30000110.7S597S597-S599 PolarHBondContact O-N 3.27Å
600G42Very low49.5Very low74 Ų74153 Ų15376%0.76382%0.819SS**PPolyproline II helixtrans-61.8133.2171.900000110.8P598P598-G600 PolarHBondContact O-N 2.89Å
601G44.9Very low48.5Very low76 Ų76153.7 Ų153.778%0.78483%0.827SS**PPolyproline II helixtrans-58.5154.3-179.100000114.1
602Q45.4Very low47.7Very low193 Ų193153.7 Ų153.790%0.90283%0.833SS**PPolyproline II helixtrans-53.4137173.1-74.3174.8-30.200111.9
603P49Very low47.1Very low118 Ų118153.4 Ų153.477%0.76684%0.839SS**PPolyproline II helixtrans-79145.9163.431.5-30.1000110.4
604P48Very low46.6Very low124 Ų124153.1 Ų153.181%0.80585%0.845SS**PPolyproline II helixtrans-76.4137-178.931.5-31.8000110.9
605T50.8Low46.7Very low133 Ų133152.9 Ų152.982%0.81685%0.853SS**PPolyproline II helixtrans-64.7138.9173.142.80000112R607T605-R607 PolarHBondContact O-N 3.39Å
606P52.2Low46.9Very low127 Ų127155.1 Ų155.183%0.82586%0.857SS**PPolyproline II helixtrans-75.9126.2176.129.9-30.3000110.6R608P606-R608 PolarHBondContact O-N 3.2Å
607R49.1Very low47Very low251 Ų251151.2 Ų151.295%0.94785%0.854SS**PPolyproline II helixtrans-73.2121.6171.5-118.4179.2178.4-179.9-0.6109.1T605 K609T605-R607 PolarHBondContact O-N 3.39Å; R607-K609 PolarHBondContact O-N 2.87Å
608R47.5Very low47.3Very low244 Ų244155.1 Ų155.192%0.92186%0.864SS**PPolyproline II helixtrans-56.9125.6168.2-134.9178.5-176.4-1770.4110P606P606-R608 PolarHBondContact O-N 3.2Å
609K48.2Very low47.4Very low280 Ų280158.1 Ų158.1100%1.21787%0.871SS**  trans-138.90146.3-90.4-164.8176-175.10108.1R607R607-K609 PolarHBondContact O-N 2.87Å

Retrieved 609 of 609 residues in 288.7 ms (Link to these results)

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