A0A077ZHK0_TRITR Loading...

proline--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZHK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 572 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
1M94.7Very high94.9Very high76 Ų7658.6 Ų58.637%0.37431%0.308SS..  0143.90-171.955.875.600108.6Y6 F474 Y497 V507 L508 L509M1-Y6 HydrophobicContact CE-CD2 4.3Å; M1-Y6 HydrophobicContact CG-CD2 3.58Å; M1-Y6 HydrophobicContact CG-CE2 4.31Å; M1-Y6 HydrophobicContact CG-CG 3.98Å; M1-Y6 HydrophobicContact SD-CD2 4.11Å; M1-F474 HydrophobicContact CB-CE1 3.61Å; M1-F474 HydrophobicContact CB-CZ 3.89Å; M1-F474 HydrophobicContact CG-CE1 4.34Å; M1-F474 HydrophobicContact CG-CZ 4.14Å; M1-Y497 PolarHBondContact N-OH 2.71Å; M1-V507 PolarHBondContact N-O 3.49Å; M1-L508 HydrophobicContact CB-CD1 3.99Å; M1-L508 HydrophobicContact CG-CD1 4.06Å; M1-L508 WeakPolarHBondContact O-CA 3.28Å; M1-L509 PolarHBondContact O-N 2.96Å
2R96.4Very high94.3Very high59 Ų5968.8 Ų68.822%0.22335%0.347CS..BIsolated β-bridgetrans-101.6135.2172.6-72176.8-178-88.11.9109.4S4 Q5 Y6 E494 L509 D511R2-S4 PolarHBondContact O-N 2.86Å; R2-Q5 HydrophobicContact CB-CB 4.39Å; R2-Q5 HydrophobicContact CB-CG 4.38Å; R2-Q5 CarbonylContact O-C 3.55Å; R2-Q5 PolarHBondContact O-N 3.45Å; R2-Y6 WeakPolarHBondContact O-CB 3.35Å; R2-Y6 PolarHBondContact O-N 2.86Å; R2-Y6 VanDerWaalsContact O-N 3.13Å; R2-E494 IonicContact CZ-OE1 3.98Å; R2-E494 IonicContact CZ-OE2 3.87Å; R2-E494 IonicContact NH1-OE1 3.74Å; R2-E494 PolarHBondContact NH1-OE1 3.37Å; R2-E494 IonicContact NH1-OE2 3.18Å; R2-E494 IonicContact NH2-OE1 2.91Å; R2-E494 PolarHBondContact NH2-OE1 3.28Å; R2-E494 IonicContact NH2-OE2 3.52Å; R2-E494 PolarHBondContact NH2-OE2 3.28Å; R2-L509 WeakPolarHBondContact CA-O 3.33Å; R2-D511 IonicContact NH1-OD2 3.06Å
3T96.3Very high93.8Very high4 Ų476.2 Ų76.23%0.02538%0.38CS..G310 helixtrans-63.7-32.6-178.4-54.90000111.9Q5 Y6 L8 L509 D510 D511 R512T3-Q5 PolarHBondContact O-N 3.01Å; T3-Y6 PolarHBondContact O-N 3.44Å; T3-Y6 VanDerWaalsContact O-N 3.14Å; T3-L8 HydrophobicContact CG2-CB 3.89Å; T3-L8 HydrophobicContact CG2-CD2 3.36Å; T3-L8 HydrophobicContact CG2-CG 4.26Å; T3-L509 PolarHBondContact N-O 3.01Å; T3-L509 PolarHBondContact OG1-O 3.19Å; T3-D510 WeakPolarHBondContact OG1-CA 3.43Å; T3-D511 PolarHBondContact N-OD1 3.08Å; T3-R512 HydrophobicContact CG2-CG 3.96Å; T3-R512 VanDerWaalsContact CG2-NE 3.34Å
4S94.3Very high93.1Very high73 Ų7374.7 Ų74.751%0.5138%0.377SS..G310 helixtrans-62.2-22.6173.967.70000114.4R2 D511R2-S4 PolarHBondContact O-N 2.86Å; S4-D511 VanDerWaalsContact CB-OD1 3.24Å; S4-D511 WeakPolarHBondContact CB-OD1 3.48Å; S4-D511 WeakPolarHBondContact CB-OD2 3.22Å; S4-D511 PolarHBondContact N-OD1 3.27Å; S4-D511 PolarHBondContact OG-OD1 3.07Å; S4-D511 VanDerWaalsContact OG-OD1 3.09Å; S4-D511 PolarHBondContact OG-OD2 3.5Å
5Q95.7Very high92.3Very high152 Ų15272.3 Ų72.371%0.7137%0.368SS*.G310 helixtrans-107.62.4178.9-61.9-173.9-23.900112.5R2 T3R2-Q5 HydrophobicContact CB-CB 4.39Å; R2-Q5 HydrophobicContact CB-CG 4.38Å; R2-Q5 CarbonylContact O-C 3.55Å; R2-Q5 PolarHBondContact O-N 3.45Å; T3-Q5 PolarHBondContact O-N 3.01Å
6Y94.9Very high91.6Very high22 Ų2274.8 Ų74.89%0.08640%0.403CS..SBendtrans-109.6137-179.3-165.5-112.7000108.9M1 R2 T3 L8 P44 T45 R48 F474M1-Y6 HydrophobicContact CE-CD2 4.3Å; M1-Y6 HydrophobicContact CG-CD2 3.58Å; M1-Y6 HydrophobicContact CG-CE2 4.31Å; M1-Y6 HydrophobicContact CG-CG 3.98Å; M1-Y6 HydrophobicContact SD-CD2 4.11Å; R2-Y6 WeakPolarHBondContact O-CB 3.35Å; R2-Y6 PolarHBondContact O-N 2.86Å; R2-Y6 VanDerWaalsContact O-N 3.13Å; T3-Y6 PolarHBondContact O-N 3.44Å; T3-Y6 VanDerWaalsContact O-N 3.14Å; Y6-L8 HydrophobicContact CD1-CB 4.18Å; Y6-L8 PolarHBondContact O-N 3.46Å; Y6-P44 HydrophobicContact CD2-CB 4.19Å; Y6-P44 HydrophobicContact CE1-CB 4.34Å; Y6-P44 HydrophobicContact CE2-CB 3.44Å; Y6-P44 VanDerWaalsContact CE2-CB 3.44Å; Y6-P44 PolarHBondContact OH-O 3.07Å; Y6-T45 WeakPolarHBondContact CE1-OG1 3.3Å; Y6-T45 WeakPolarHBondContact OH-CA 3.37Å; Y6-T45 PolarHBondContact OH-N 3.2Å; Y6-T45 PolarHBondContact OH-OG1 2.87Å; Y6-R48 WeakPolarHBondContact OH-CD 3.33Å; Y6-F474 HydrophobicContact CE1-CE2 4.08Å; Y6-F474 HydrophobicContact CE1-CZ 4.38Å; Y6-F474 HydrophobicContact CE2-CE2 4.42Å; Y6-F474 AromaticContact CE2-CZ 3.98Å; Y6-F474 HydrophobicContact CE2-CZ 3.98Å; Y6-F474 AromaticContact CZ-CE2 3.85Å; Y6-F474 AromaticContact CZ-CZ 3.88Å
7L94.9Very high91.1Very high100 Ų10075.1 Ų75.152%0.52441%0.405SS..  trans-74.875.9171.8-176.162.1000109.5S9 L43 P44L7-S9 VanDerWaalsContact C-N 3.3Å; L7-S9 PolarHBondContact O-N 3.31Å; L7-S9 VanDerWaalsContact O-N 3.09Å; L7-L43 HydrophobicContact CD2-CD2 4.21Å; L7-P44 HydrophobicContact CB-CG 4.1Å
8L93.6Very high90.9Very high22 Ų2271.3 Ų71.312%0.11539%0.385CS..  trans-81.577.9172.2-170.965000109.3T3 Y6 T10 D522 M523 I526T3-L8 HydrophobicContact CG2-CB 3.89Å; T3-L8 HydrophobicContact CG2-CD2 3.36Å; T3-L8 HydrophobicContact CG2-CG 4.26Å; Y6-L8 HydrophobicContact CD1-CB 4.18Å; Y6-L8 PolarHBondContact O-N 3.46Å; L8-T10 VanDerWaalsContact C-N 3.32Å; L8-T10 HydrophobicContact CD1-CG2 4.12Å; L8-T10 HydrophobicContact CG-CG2 4.17Å; L8-T10 PolarHBondContact O-N 2.63Å; L8-D522 HydrophobicContact CD2-CB 4.22Å; L8-M523 HydrophobicContact CD2-CE 3.75Å; L8-I526 HydrophobicContact CD1-CD1 4.2Å; L8-I526 HydrophobicContact CD1-CG2 3.91Å
9S93.4Very high90.7Very high39 Ų3975.4 Ų75.427%0.27340%0.402SS..  trans-88.263.2-177.4-169.90000111.2L7 G30 R33L7-S9 VanDerWaalsContact C-N 3.3Å; L7-S9 PolarHBondContact O-N 3.31Å; L7-S9 VanDerWaalsContact O-N 3.09Å; S9-G30 WeakPolarHBondContact O-CA 3.47Å; S9-R33 PolarHBondContact O-NH2 2.73Å; S9-R33 PolarHBondContact OG-NH2 2.76Å
10T95.7Very high90.9Very high33 Ų3372.5 Ų72.520%0.20239%0.387CS..  trans-72.8149.1175.552.50000111.5L8 R28 D522 L525 I526L8-T10 VanDerWaalsContact C-N 3.32Å; L8-T10 HydrophobicContact CD1-CG2 4.12Å; L8-T10 HydrophobicContact CG-CG2 4.17Å; L8-T10 PolarHBondContact O-N 2.63Å; T10-R28 CarbonylContact C-O 3.56Å; T10-R28 WeakPolarHBondContact CA-O 3.46Å; T10-D522 WeakPolarHBondContact CB-OD1 3.43Å; T10-D522 HydrophobicContact CG2-CB 4.34Å; T10-D522 PolarHBondContact OG1-OD1 3.46Å; T10-L525 HydrophobicContact CG2-CD2 4.14Å; T10-I526 HydrophobicContact CG2-CG2 4.1Å
11L93.7Very high91.1Very high65 Ų6570.8 Ų70.834%0.3438%0.377SS..  trans-118.6138.3175.2-55173.8000110P15 R28L11-P15 HydrophobicContact CD1-CG 4.46Å; L11-R28 PolarHBondContact N-O 2.95Å
12K88.2Confident91.2Very high181 Ų18167.1 Ų67.179%0.78736%0.36SS*.SBendtrans-73.4-42176.4-70-176.5179.8176.40112.3
13E87.5Confident91.2Very high164 Ų16464.6 Ų64.677%0.76635%0.35SS*.SBendtrans-101144.7-175-65.9177.9-176.400110.8
14T83.9Confident91.2Very high56 Ų5666.6 Ų66.634%0.34436%0.359SS..PPolyproline II helixtrans-75.8127.7171.8-59.10000109.4A18 Q24 R28T14-A18 HydrophobicContact CG2-CB 4.46Å; T14-Q24 HydrophobicContact CG2-CB 3.63Å; T14-Q24 HydrophobicContact CG2-CG 3.35Å; T14-R28 VanDerWaalsContact OG1-CD 3.25Å; T14-R28 WeakPolarHBondContact OG1-CD 3.37Å
15P80.8Confident91.4Very high38 Ų3863.2 Ų63.225%0.24734%0.336CS..PPolyproline II helixtrans-60.4137.1172.3-27.740.1000111.9L11 D17 A18 L27L11-P15 HydrophobicContact CD1-CG 4.46Å; P15-D17 PolarHBondContact O-N 2.8Å; P15-D17 VanDerWaalsContact O-N 3.17Å; P15-A18 PolarHBondContact O-N 3.01Å; P15-A18 VanDerWaalsContact O-N 3.13Å; P15-L27 HydrophobicContact CB-CD1 4.12Å; P15-L27 HydrophobicContact CG-CB 4.2Å; P15-L27 HydrophobicContact CG-CD1 3.83Å
16A80.9Confident91.5Very high112 Ų11256 Ų5693%0.92630%0.302SS*.THydrogen-bonded Turntrans-65.7-19.4-171.600000114.6A18A16-A18 VanDerWaalsContact C-N 3.34Å
17D83.8Confident91.6Very high80 Ų8055.4 Ų55.443%0.42830%0.3SS..THydrogen-bonded Turntrans-88.52.7178.267.3-36.1000113.7P15 K34P15-D17 PolarHBondContact O-N 2.8Å; P15-D17 VanDerWaalsContact O-N 3.17Å; D17-K34 IonicContact OD2-NZ 3.55Å; D17-K34 PolarHBondContact OD2-NZ 2.99Å
18A87.3Confident91.7Very high7 Ų753.2 Ų53.26%0.05829%0.285CS..  trans-98.199.8178.800000111.9T14 P15 A16 H23 Q24 L27T14-A18 HydrophobicContact CG2-CB 4.46Å; P15-A18 PolarHBondContact O-N 3.01Å; P15-A18 VanDerWaalsContact O-N 3.13Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A18-H23 WeakPolarHBondContact CA-ND1 3.5Å; A18-H23 HydrophobicContact CB-CB 4.39Å; A18-Q24 HydrophobicContact CB-CB 4.37Å; A18-Q24 HydrophobicContact CB-CG 3.65Å; A18-Q24 WeakPolarHBondContact O-CG 3.1Å; A18-Q24 PolarHBondContact O-NE2 2.62Å; A18-L27 HydrophobicContact CB-CD1 3.97Å
19E87.6Confident91.9Very high149 Ų14952.2 Ų52.270%0.69628%0.279SS*.  trans-78.9-52.1-177.4-64.9178.5-176.400113.2Q24E19-Q24 PolarHBondContact O-NE2 3.34Å
20V93.9Very high92.1Very high17 Ų1750.3 Ų50.310%0.10327%0.266CS..SBendtrans-84.2148.1-176.9-61.80000112.6S22 H23 Q24 F147 M150V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.13Å; V20-H23 HydrophobicContact CG2-CB 3.63Å; V20-H23 PolarHBondContact O-N 3.3Å; V20-H23 VanDerWaalsContact O-N 3.16Å; V20-Q24 WeakPolarHBondContact O-CG 3.4Å; V20-Q24 PolarHBondContact O-N 3.15Å; V20-Q24 VanDerWaalsContact O-N 3.08Å; V20-F147 HydrophobicContact CG1-CB 4.22Å; V20-F147 HydrophobicContact CG1-CD1 3.48Å; V20-F147 VanDerWaalsContact CG1-CD1 3.48Å; V20-F147 HydrophobicContact CG1-CE1 3.96Å; V20-F147 HydrophobicContact CG1-CG 3.88Å; V20-F147 HydrophobicContact CG2-CB 3.83Å; V20-F147 HydrophobicContact CG2-CD1 4.31Å; V20-F147 HydrophobicContact CG2-CG 4.39Å; V20-M150 HydrophobicContact CB-CE 4.13Å; V20-M150 HydrophobicContact CG1-CE 4.29Å; V20-M150 HydrophobicContact CG2-CE 3.62Å
21I95.9Very high92.2Very high37 Ų3748.8 Ų48.819%0.1926%0.257CS..Hα-helixtrans-63.3-37.3-170.8-172.362.1000112.8H23 Q24 L25 E457 Y460I21-H23 PolarHBondContact O-N 2.68Å; I21-Q24 PolarHBondContact O-N 3.49Å; I21-L25 HydrophobicContact CD1-CD1 4.12Å; I21-L25 HydrophobicContact CD1-CG 3.99Å; I21-L25 HydrophobicContact CG1-CD1 3.84Å; I21-L25 HydrophobicContact CG1-CG 4.12Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 WeakPolarHBondContact O-CG 3.47Å; I21-L25 PolarHBondContact O-N 3.11Å; I21-E457 WeakPolarHBondContact CG2-OE1 3.42Å; I21-E457 VanDerWaalsContact CG2-OE2 3.25Å; I21-E457 WeakPolarHBondContact CG2-OE2 3.29Å; I21-E457 PolarHBondContact N-OE1 3.38Å; I21-Y460 HydrophobicContact CB-CE2 4.49Å; I21-Y460 HydrophobicContact CD1-CD2 4.29Å; I21-Y460 HydrophobicContact CD1-CE2 4.29Å; I21-Y460 HydrophobicContact CG1-CD1 4.27Å; I21-Y460 HydrophobicContact CG1-CD2 3.66Å; I21-Y460 HydrophobicContact CG1-CE1 4.29Å; I21-Y460 HydrophobicContact CG1-CE2 3.68Å; I21-Y460 HydrophobicContact CG1-CG 3.96Å; I21-Y460 HydrophobicContact CG2-CD1 4.01Å; I21-Y460 HydrophobicContact CG2-CE1 3.66Å; I21-Y460 HydrophobicContact CG2-CE2 4.44Å
22S97.4Very high92.4Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-59.8-47.217556.50000111.6V20 Q24 L25 M26 A453 E457V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.13Å; S22-Q24 PolarHBondContact O-N 3.01Å; S22-L25 PolarHBondContact O-N 3.16Å; S22-M26 VanDerWaalsContact O-CB 3.31Å; S22-M26 WeakPolarHBondContact O-CB 3.31Å; S22-M26 WeakPolarHBondContact O-CG 3.45Å; S22-M26 PolarHBondContact O-N 3.13Å; S22-A453 WeakPolarHBondContact CB-O 3.23Å; S22-E457 WeakPolarHBondContact CA-OE1 3.38Å; S22-E457 WeakPolarHBondContact CB-OE1 3.3Å; S22-E457 PolarHBondContact N-OE1 3.38Å; S22-E457 PolarHBondContact OG-OE1 3.12Å
23H96.4Very high92.8Very high6 Ų639.7 Ų39.73%0.02821%0.213CC..Hα-helixtrans-62-44.4177.9-175.2-154.8000111.4A18 V20 I21 L27 Y40 G148A18-H23 WeakPolarHBondContact CA-ND1 3.5Å; A18-H23 HydrophobicContact CB-CB 4.39Å; V20-H23 HydrophobicContact CG2-CB 3.63Å; V20-H23 PolarHBondContact O-N 3.3Å; V20-H23 VanDerWaalsContact O-N 3.16Å; I21-H23 PolarHBondContact O-N 2.68Å; H23-L27 WeakPolarHBondContact O-CG 3.35Å; H23-L27 PolarHBondContact O-N 3.5Å; H23-L27 VanDerWaalsContact O-N 3.12Å; H23-Y40 AromaticContact NE2-CE1 3.6Å; H23-Y40 AromaticContact NE2-CZ 3.78Å; H23-Y40 PolarHBondContact NE2-OH 3.22Å; H23-G148 WeakPolarHBondContact CD2-CA 3.39Å; H23-G148 VanDerWaalsContact CG-CA 3.45Å
24Q96.5Very high93.1Very high46 Ų4636.8 Ų36.822%0.21520%0.198CC..Hα-helixtrans-58.7-49.3176.1-63.9179.922.500111.6T14 A18 E19 V20 I21 S22 L27 R28T14-Q24 HydrophobicContact CG2-CB 3.63Å; T14-Q24 HydrophobicContact CG2-CG 3.35Å; A18-Q24 HydrophobicContact CB-CB 4.37Å; A18-Q24 HydrophobicContact CB-CG 3.65Å; A18-Q24 WeakPolarHBondContact O-CG 3.1Å; A18-Q24 PolarHBondContact O-NE2 2.62Å; E19-Q24 PolarHBondContact O-NE2 3.34Å; V20-Q24 WeakPolarHBondContact O-CG 3.4Å; V20-Q24 PolarHBondContact O-N 3.15Å; V20-Q24 VanDerWaalsContact O-N 3.08Å; I21-Q24 PolarHBondContact O-N 3.49Å; S22-Q24 PolarHBondContact O-N 3.01Å; Q24-L27 PolarHBondContact O-N 3.09Å; Q24-R28 WeakPolarHBondContact O-CB 3.41Å; Q24-R28 WeakPolarHBondContact O-CG 3.4Å; Q24-R28 PolarHBondContact O-N 3.48Å
25L97.7Very high93.7Very high2 Ų240.5 Ų40.51%0.0122%0.215CC..Hα-helixtrans-70.5-39.2-178-70.7-179.7000112.4I21 S22 L27 R28 A29 I456 Y460 I465 L525I21-L25 HydrophobicContact CD1-CD1 4.12Å; I21-L25 HydrophobicContact CD1-CG 3.99Å; I21-L25 HydrophobicContact CG1-CD1 3.84Å; I21-L25 HydrophobicContact CG1-CG 4.12Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 WeakPolarHBondContact O-CG 3.47Å; I21-L25 PolarHBondContact O-N 3.11Å; S22-L25 PolarHBondContact O-N 3.16Å; L25-L27 VanDerWaalsContact C-N 3.28Å; L25-L27 PolarHBondContact O-N 3.05Å; L25-R28 PolarHBondContact O-N 3.23Å; L25-A29 WeakPolarHBondContact O-CB 3.48Å; L25-A29 PolarHBondContact O-N 2.93Å; L25-I456 HydrophobicContact CB-CG2 4.12Å; L25-I456 HydrophobicContact CD1-CG2 3.73Å; L25-Y460 HydrophobicContact CD1-CG 4.29Å; L25-I465 HydrophobicContact CB-CD1 4.31Å; L25-I465 HydrophobicContact CB-CG1 3.92Å; L25-I465 HydrophobicContact CD1-CG1 4.06Å; L25-I465 HydrophobicContact CG-CG1 4.49Å; L25-L525 HydrophobicContact CD2-CD1 4.04Å
26M97.9Very high94.4Very high0 Ų040.5 Ų40.50%022%0.219CC..Hα-helixtrans-63-35.6176-70.5178.981.800112S22 M31 I32 W42 V149 V452 A453 I456S22-M26 VanDerWaalsContact O-CB 3.31Å; S22-M26 WeakPolarHBondContact O-CB 3.31Å; S22-M26 WeakPolarHBondContact O-CG 3.45Å; S22-M26 PolarHBondContact O-N 3.13Å; M26-M31 HydrophobicContact CB-CB 4.26Å; M26-M31 HydrophobicContact CE-CE 4.5Å; M26-M31 HydrophobicContact CG-SD 4.08Å; M26-M31 WeakPolarHBondContact O-CB 3.42Å; M26-M31 PolarHBondContact O-N 3.37Å; M26-I32 HydrophobicContact CB-CD1 3.76Å; M26-I32 HydrophobicContact CB-CG1 3.85Å; M26-I32 HydrophobicContact CE-CD1 4.15Å; M26-I32 HydrophobicContact CE-CG2 3.85Å; M26-I32 PolarHBondContact O-N 3.1Å; M26-I32 HydrophobicContact SD-CD1 4.28Å; M26-W42 HydrophobicContact CE-CH2 3.63Å; M26-W42 HydrophobicContact CE-CZ2 4.33Å; M26-W42 HydrophobicContact CE-CZ3 3.92Å; M26-V149 HydrophobicContact CE-CG1 4.35Å; M26-V149 HydrophobicContact CE-CG2 3.77Å; M26-V149 HydrophobicContact SD-CG2 3.8Å; M26-V452 HydrophobicContact CE-CG1 3.98Å; M26-A453 HydrophobicContact SD-CB 4.07Å; M26-I456 HydrophobicContact CG-CD1 3.29Å; M26-I456 HydrophobicContact SD-CD1 3.99Å
27L97Very high95Very high10 Ų1038 Ų385%0.05219%0.194CC..Hα-helixtrans-69.8-50.6171.8-68.7169.9000110.8P15 A18 H23 Q24 L25 A29 G30 I32 R33P15-L27 HydrophobicContact CB-CD1 4.12Å; P15-L27 HydrophobicContact CG-CB 4.2Å; P15-L27 HydrophobicContact CG-CD1 3.83Å; A18-L27 HydrophobicContact CB-CD1 3.97Å; H23-L27 WeakPolarHBondContact O-CG 3.35Å; H23-L27 PolarHBondContact O-N 3.5Å; H23-L27 VanDerWaalsContact O-N 3.12Å; Q24-L27 PolarHBondContact O-N 3.09Å; L25-L27 VanDerWaalsContact C-N 3.28Å; L25-L27 PolarHBondContact O-N 3.05Å; L27-A29 PolarHBondContact O-N 2.93Å; L27-G30 PolarHBondContact O-N 3.49Å; L27-G30 VanDerWaalsContact O-N 3.09Å; L27-I32 HydrophobicContact CD2-CG1 4.02Å; L27-I32 HydrophobicContact CG-CG1 4.43Å; L27-R33 PolarHBondContact O-NH1 2.89Å
28R97.3Very high95.6Very high54 Ų5434.3 Ų34.320%0.20418%0.175CC..Hα-helixtrans-63.7-39.7-177.7-76.4178.359.7-150.4-1.8113.6T10 L11 T14 Q24 L25 G30 L525T10-R28 CarbonylContact C-O 3.56Å; T10-R28 WeakPolarHBondContact CA-O 3.46Å; L11-R28 PolarHBondContact N-O 2.95Å; T14-R28 VanDerWaalsContact OG1-CD 3.25Å; T14-R28 WeakPolarHBondContact OG1-CD 3.37Å; Q24-R28 WeakPolarHBondContact O-CB 3.41Å; Q24-R28 WeakPolarHBondContact O-CG 3.4Å; Q24-R28 PolarHBondContact O-N 3.48Å; L25-R28 PolarHBondContact O-N 3.23Å; R28-G30 PolarHBondContact O-N 2.81Å; R28-L525 HydrophobicContact CB-CD1 4.12Å; R28-L525 HydrophobicContact CB-CD2 4.17Å; R28-L525 WeakPolarHBondContact O-CD2 3.44Å
29A97.6Very high96.1Very high0 Ų035.7 Ų35.70%018%0.181CC..THydrogen-bonded Turntrans-75.4-0.9176.900000113.3L25 L27 M31 I465 L525 I526L25-A29 WeakPolarHBondContact O-CB 3.48Å; L25-A29 PolarHBondContact O-N 2.93Å; L27-A29 PolarHBondContact O-N 2.93Å; A29-M31 VanDerWaalsContact C-N 3.34Å; A29-M31 HydrophobicContact CB-CG 4.08Å; A29-M31 HydrophobicContact CB-SD 4.47Å; A29-M31 PolarHBondContact O-N 2.8Å; A29-I465 HydrophobicContact CB-CD1 3.88Å; A29-L525 HydrophobicContact CB-CG 4.21Å; A29-I526 HydrophobicContact CB-CG2 4.15Å
30G96.9Very high96.5Very high0 Ų030 Ų300%015%0.153CC..THydrogen-bonded Turntrans65.736.8-179.300000112.7S9 L27 R28 L43S9-G30 WeakPolarHBondContact O-CA 3.47Å; L27-G30 PolarHBondContact O-N 3.49Å; L27-G30 VanDerWaalsContact O-N 3.09Å; R28-G30 PolarHBondContact O-N 2.81Å; G30-L43 WeakPolarHBondContact O-CB 3.38Å; G30-L43 WeakPolarHBondContact O-CD1 3.45Å
31M98.1Very high96.7Very high0 Ų032.4 Ų32.40%017%0.169CC..SBendtrans-88.4-37.2176.3-63-178.87000112.2M26 A29 L43 T45 V49 V452 I456 I465 W467M26-M31 HydrophobicContact CB-CB 4.26Å; M26-M31 HydrophobicContact CE-CE 4.5Å; M26-M31 HydrophobicContact CG-SD 4.08Å; M26-M31 WeakPolarHBondContact O-CB 3.42Å; M26-M31 PolarHBondContact O-N 3.37Å; A29-M31 VanDerWaalsContact C-N 3.34Å; A29-M31 HydrophobicContact CB-CG 4.08Å; A29-M31 HydrophobicContact CB-SD 4.47Å; A29-M31 PolarHBondContact O-N 2.8Å; M31-L43 PolarHBondContact O-N 3.32Å; M31-T45 HydrophobicContact CG-CG2 3.94Å; M31-V49 HydrophobicContact CE-CB 4.04Å; M31-V49 HydrophobicContact CE-CG1 4.41Å; M31-V49 HydrophobicContact CE-CG2 3.84Å; M31-V452 HydrophobicContact CE-CG1 3.96Å; M31-I456 HydrophobicContact SD-CD1 4.25Å; M31-I465 HydrophobicContact SD-CD1 3.67Å; M31-W467 HydrophobicContact CE-CH2 3.76Å; M31-W467 HydrophobicContact CE-CZ2 3.52Å; M31-W467 HydrophobicContact SD-CH2 4.26Å; M31-W467 HydrophobicContact SD-CZ2 3.69Å
32I97.5Very high96.8Very high0 Ų033.1 Ų33.10%017%0.169CC..EExtended strand (participates in β ladder)trans-135.8158.5179.665.5-177.5000111.6M26 L27 Y40 T41 W42 V149M26-I32 HydrophobicContact CB-CD1 3.76Å; M26-I32 HydrophobicContact CB-CG1 3.85Å; M26-I32 HydrophobicContact CE-CD1 4.15Å; M26-I32 HydrophobicContact CE-CG2 3.85Å; M26-I32 PolarHBondContact O-N 3.1Å; M26-I32 HydrophobicContact SD-CD1 4.28Å; L27-I32 HydrophobicContact CD2-CG1 4.02Å; L27-I32 HydrophobicContact CG-CG1 4.43Å; I32-Y40 HydrophobicContact CB-CD1 4.41Å; I32-Y40 HydrophobicContact CD1-CD1 3.81Å; I32-Y40 HydrophobicContact CD1-CE1 4.15Å; I32-Y40 HydrophobicContact CD1-CG 4.35Å; I32-Y40 HydrophobicContact CG1-CD1 4.22Å; I32-T41 CarbonylContact C-O 3.56Å; I32-T41 WeakPolarHBondContact CA-O 3.36Å; I32-W42 HydrophobicContact CG2-CD2 3.94Å; I32-W42 HydrophobicContact CG2-CE3 4.06Å; I32-W42 HydrophobicContact CG2-CG 4.36Å; I32-W42 HydrophobicContact CG2-CZ2 4.43Å; I32-W42 HydrophobicContact CG2-CZ3 4.39Å; I32-V149 HydrophobicContact CD1-CG1 3.83Å; I32-V149 HydrophobicContact CG2-CG1 4.38Å
33R96Very high96.9Very high55 Ų5534.2 Ų34.221%0.20817%0.174CC..EExtended strand (participates in β ladder)trans-135.6135.8168.4-69.4-68.3178.1-100.35.7110S9 L27 L35 Y40 T41 L43S9-R33 PolarHBondContact O-NH2 2.73Å; S9-R33 PolarHBondContact OG-NH2 2.76Å; L27-R33 PolarHBondContact O-NH1 2.89Å; R33-L35 PolarHBondContact O-N 3.46Å; R33-Y40 CarbonylContact O-C 3.45Å; R33-Y40 WeakPolarHBondContact O-CA 3.38Å; R33-T41 PolarHBondContact N-O 3Å; R33-T41 PolarHBondContact O-N 2.81Å; R33-L43 HydrophobicContact CG-CD1 3.7Å; R33-L43 HydrophobicContact CG-CD2 4.28Å; R33-L43 HydrophobicContact CG-CG 4.07Å
34K94.7Very high97Very high103 Ų10336.1 Ų36.145%0.44819%0.187SC..EExtended strand (participates in β ladder)trans-68.8125.9175.9-170.4-179.6-169.8174.50109.5D17 A36 Y40D17-K34 IonicContact OD2-NZ 3.55Å; D17-K34 PolarHBondContact OD2-NZ 2.99Å; K34-A36 WeakPolarHBondContact CG-O 3.38Å; K34-Y40 HydrophobicContact CB-CD1 4.33Å; K34-Y40 HydrophobicContact CB-CE1 4.12Å; K34-Y40 HydrophobicContact CG-CE1 4.37Å
35L96.3Very high97Very high134 Ų13433.9 Ų33.970%0.70218%0.177SC*.EExtended strand (participates in β ladder)trans-96.5-44.5170.2178.962.2000110.4R33 L39R33-L35 PolarHBondContact O-N 3.46Å; L35-L39 PolarHBondContact N-O 3.25Å
36A95.3Very high97.1Very high39 Ų3933.8 Ų33.832%0.32218%0.177SC..EExtended strand (participates in β ladder)trans-151.5-178172.100000109.9K34 G38 L39K34-A36 WeakPolarHBondContact CG-O 3.38Å; A36-G38 PolarHBondContact O-N 3.33Å; A36-L39 HydrophobicContact CB-CB 4.26Å; A36-L39 HydrophobicContact CB-CD1 4.08Å; A36-L39 HydrophobicContact CB-CG 4.44Å; A36-L39 PolarHBondContact N-O 3.47Å; A36-L39 PolarHBondContact O-N 2.99Å
37S94.6Very high97.1Very high60 Ų6036.6 Ų36.642%0.4219%0.194SC..THydrogen-bonded Turntrans-57.6121.8175.9-167.70000110.9L39 R153S37-L39 PolarHBondContact O-N 3.29Å; S37-R153 PolarHBondContact O-NE 3.35Å; S37-R153 PolarHBondContact O-NH2 2.87Å
38G95.2Very high97.1Very high2 Ų239.2 Ų39.22%0.02120%0.203CC..THydrogen-bonded Turntrans65.115.5-17700000115.5A36 S152 R153 E154A36-G38 PolarHBondContact O-N 3.33Å; G38-S152 WeakPolarHBondContact O-CB 3.06Å; G38-R153 PolarHBondContact O-N 3.03Å; G38-E154 PolarHBondContact O-N 3.02Å
39L97.4Very high97.2Very high35 Ų3536.6 Ų36.618%0.18319%0.193CC..EExtended strand (participates in β ladder)trans-124.9120.3177.8-60.4-178.5000109.8L35 A36 S37 F139 R153 E154L35-L39 PolarHBondContact N-O 3.25Å; A36-L39 HydrophobicContact CB-CB 4.26Å; A36-L39 HydrophobicContact CB-CD1 4.08Å; A36-L39 HydrophobicContact CB-CG 4.44Å; A36-L39 PolarHBondContact N-O 3.47Å; A36-L39 PolarHBondContact O-N 2.99Å; S37-L39 PolarHBondContact O-N 3.29Å; L39-F139 HydrophobicContact CD2-CE2 4.19Å; L39-R153 HydrophobicContact CD2-CB 4.25Å; L39-E154 HydrophobicContact CD2-CB 3.4Å
40Y97.6Very high97.2Very high29 Ų2937.4 Ų37.411%0.11420%0.197CC..EExtended strand (participates in β ladder)trans-127130-171.6-65.4-87.4000112H23 I32 R33 K34 G148 V149H23-Y40 AromaticContact NE2-CE1 3.6Å; H23-Y40 AromaticContact NE2-CZ 3.78Å; H23-Y40 PolarHBondContact NE2-OH 3.22Å; I32-Y40 HydrophobicContact CB-CD1 4.41Å; I32-Y40 HydrophobicContact CD1-CD1 3.81Å; I32-Y40 HydrophobicContact CD1-CE1 4.15Å; I32-Y40 HydrophobicContact CD1-CG 4.35Å; I32-Y40 HydrophobicContact CG1-CD1 4.22Å; R33-Y40 CarbonylContact O-C 3.45Å; R33-Y40 WeakPolarHBondContact O-CA 3.38Å; K34-Y40 HydrophobicContact CB-CD1 4.33Å; K34-Y40 HydrophobicContact CB-CE1 4.12Å; K34-Y40 HydrophobicContact CG-CE1 4.37Å; Y40-G148 VanDerWaalsContact CE2-O 3.25Å; Y40-G148 WeakPolarHBondContact CE2-O 3.48Å; Y40-G148 WeakPolarHBondContact OH-CA 3.31Å; Y40-V149 HydrophobicContact CD2-CG1 4.1Å; Y40-V149 HydrophobicContact CG-CG1 4.2Å
41T98.1Very high97.3Very high69 Ų6942 Ų4242%0.42322%0.217SC..EExtended strand (participates in β ladder)trans-79.8124166.2-58.20000109.4I32 R33 L43I32-T41 CarbonylContact C-O 3.56Å; I32-T41 WeakPolarHBondContact CA-O 3.36Å; R33-T41 PolarHBondContact N-O 3Å; R33-T41 PolarHBondContact O-N 2.81Å; T41-L43 HydrophobicContact CG2-CD2 4.48Å; T41-L43 PolarHBondContact O-N 3.49Å
42W98.2Very high97.4Very high52 Ų5243.7 Ų43.720%0.19722%0.224CC..EExtended strand (participates in β ladder)trans-80.3115.7171.2-70.877.3000109.9M26 I32 V47 L50 V149 T449 V452M26-W42 HydrophobicContact CE-CH2 3.63Å; M26-W42 HydrophobicContact CE-CZ2 4.33Å; M26-W42 HydrophobicContact CE-CZ3 3.92Å; I32-W42 HydrophobicContact CG2-CD2 3.94Å; I32-W42 HydrophobicContact CG2-CE3 4.06Å; I32-W42 HydrophobicContact CG2-CG 4.36Å; I32-W42 HydrophobicContact CG2-CZ2 4.43Å; I32-W42 HydrophobicContact CG2-CZ3 4.39Å; W42-V47 HydrophobicContact CB-CG2 3.75Å; W42-V47 WeakPolarHBondContact O-CG2 3.49Å; W42-L50 HydrophobicContact CD2-CD2 4.03Å; W42-L50 HydrophobicContact CE3-CB 4.1Å; W42-L50 HydrophobicContact CE3-CD2 4.19Å; W42-L50 HydrophobicContact CG-CD2 4.4Å; W42-L50 HydrophobicContact CH2-CD1 4.14Å; W42-L50 HydrophobicContact CZ2-CD1 4.38Å; W42-L50 HydrophobicContact CZ3-CB 4.03Å; W42-L50 HydrophobicContact CZ3-CD1 4.35Å; W42-V149 HydrophobicContact CZ2-CB 4.29Å; W42-V149 HydrophobicContact CZ2-CG1 3.89Å; W42-V149 HydrophobicContact CZ2-CG2 4.34Å; W42-T449 HydrophobicContact CH2-CG2 4.32Å; W42-T449 HydrophobicContact CZ2-CG2 3.45Å; W42-T449 VanDerWaalsContact CZ2-CG2 3.45Å; W42-V452 HydrophobicContact CH2-CB 4.04Å; W42-V452 HydrophobicContact CH2-CG1 4.11Å; W42-V452 HydrophobicContact CH2-CG2 4.08Å; W42-V452 HydrophobicContact CZ3-CB 4.47Å; W42-V452 HydrophobicContact CZ3-CG1 4.14Å; W42-V452 HydrophobicContact CZ3-CG2 4.35Å
43L98.1Very high97.4Very high22 Ų2243.7 Ų43.712%0.11522%0.224CC..  trans-79.7167.6175.8-67.3-172.1000110.8L7 G30 M31 R33 T41 T45 G46 V47L7-L43 HydrophobicContact CD2-CD2 4.21Å; G30-L43 WeakPolarHBondContact O-CB 3.38Å; G30-L43 WeakPolarHBondContact O-CD1 3.45Å; M31-L43 PolarHBondContact O-N 3.32Å; R33-L43 HydrophobicContact CG-CD1 3.7Å; R33-L43 HydrophobicContact CG-CD2 4.28Å; R33-L43 HydrophobicContact CG-CG 4.07Å; T41-L43 HydrophobicContact CG2-CD2 4.48Å; T41-L43 PolarHBondContact O-N 3.49Å; L43-T45 PolarHBondContact O-N 3.27Å; L43-G46 WeakPolarHBondContact O-CA 3.44Å; L43-G46 PolarHBondContact O-N 3.34Å; L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 3.48Å
44P98.2Very high97.5Very high46 Ų4641.5 Ų41.530%0.29922%0.217SC..Hα-helixtrans-52.7-35.7-173.4-32.639.9000115.2Y6 L7 R48Y6-P44 HydrophobicContact CD2-CB 4.19Å; Y6-P44 HydrophobicContact CE1-CB 4.34Å; Y6-P44 HydrophobicContact CE2-CB 3.44Å; Y6-P44 VanDerWaalsContact CE2-CB 3.44Å; Y6-P44 PolarHBondContact OH-O 3.07Å; L7-P44 HydrophobicContact CB-CG 4.1Å; P44-R48 WeakPolarHBondContact O-CG 3.48Å; P44-R48 PolarHBondContact O-N 2.99Å
45T97.8Very high97.7Very high0 Ų040.2 Ų40.20%021%0.214CC..Hα-helixtrans-66.3-46.9176.7-51.60000110.6Y6 M31 L43 R48 V49 P473Y6-T45 WeakPolarHBondContact CE1-OG1 3.3Å; Y6-T45 WeakPolarHBondContact OH-CA 3.37Å; Y6-T45 PolarHBondContact OH-N 3.2Å; Y6-T45 PolarHBondContact OH-OG1 2.87Å; M31-T45 HydrophobicContact CG-CG2 3.94Å; L43-T45 PolarHBondContact O-N 3.27Å; T45-R48 PolarHBondContact O-N 2.98Å; T45-V49 PolarHBondContact O-N 3.33Å; T45-P473 HydrophobicContact CG2-CB 4Å; T45-P473 HydrophobicContact CG2-CG 4.02Å
46G98.2Very high97.8Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-62.8-45.1177.700000112.1L43 R48 V49 L50L43-G46 WeakPolarHBondContact O-CA 3.44Å; L43-G46 PolarHBondContact O-N 3.34Å; G46-R48 VanDerWaalsContact C-N 3.28Å; G46-R48 PolarHBondContact O-N 3.49Å; G46-V49 PolarHBondContact O-N 2.91Å; G46-L50 WeakPolarHBondContact O-CB 3.29Å; G46-L50 PolarHBondContact O-N 3.2Å
47V98.4Very high98Very high59 Ų5932.4 Ų32.436%0.35817%0.168SC..Hα-helixtrans-58.8-40.2179.4173.30000111.3W42 L43 L50 K51W42-V47 HydrophobicContact CB-CG2 3.75Å; W42-V47 WeakPolarHBondContact O-CG2 3.49Å; L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 3.48Å; V47-L50 PolarHBondContact O-N 2.96Å; V47-K51 HydrophobicContact CG1-CG 4.23Å; V47-K51 WeakPolarHBondContact O-CB 3.42Å; V47-K51 VanDerWaalsContact O-CG 3.32Å; V47-K51 WeakPolarHBondContact O-CG 3.33Å; V47-K51 PolarHBondContact O-N 3.15Å
48R98.4Very high98.2Very high64 Ų6432.2 Ų32.224%0.24216%0.158CC..Hα-helixtrans-62.4-44.8178.2-72-179.667.664.711.7112.1Y6 P44 T45 G46 K52 P473 E506Y6-R48 WeakPolarHBondContact OH-CD 3.33Å; P44-R48 WeakPolarHBondContact O-CG 3.48Å; P44-R48 PolarHBondContact O-N 2.99Å; T45-R48 PolarHBondContact O-N 2.98Å; G46-R48 VanDerWaalsContact C-N 3.28Å; G46-R48 PolarHBondContact O-N 3.49Å; R48-K52 WeakPolarHBondContact O-CG 3.44Å; R48-K52 PolarHBondContact O-N 2.96Å; R48-P473 HydrophobicContact CB-CB 4.24Å; R48-P473 VanDerWaalsContact CZ-O 3.23Å; R48-P473 PolarHBondContact NE-O 3.28Å; R48-P473 PolarHBondContact NH2-O 2.88Å; R48-E506 IonicContact CZ-OE1 2.69Å; R48-E506 IonicContact NH2-OE1 3.96Å; R48-E506 PolarHBondContact NH2-OE1 2.79Å; R48-E506 IonicContact NH2-OE2 3.87Å; R48-E506 PolarHBondContact NH2-OE2 2.57Å; R48-E506 VanDerWaalsContact NH2-OE2 3.12Å
49V98.6Very high98.4Very high0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-65.3-47.6176.4-179.90000110.6M31 T45 G46 K51 K52 V53 V452 W467 I471 P473M31-V49 HydrophobicContact CE-CB 4.04Å; M31-V49 HydrophobicContact CE-CG1 4.41Å; M31-V49 HydrophobicContact CE-CG2 3.84Å; T45-V49 PolarHBondContact O-N 3.33Å; G46-V49 PolarHBondContact O-N 2.91Å; V49-K51 VanDerWaalsContact C-N 3.3Å; V49-K51 PolarHBondContact O-N 3.45Å; V49-K52 WeakPolarHBondContact O-CB 3.44Å; V49-K52 PolarHBondContact O-N 3.27Å; V49-V53 PolarHBondContact O-N 3.29Å; V49-V452 HydrophobicContact CG1-CG1 3.79Å; V49-V452 HydrophobicContact CG1-CG2 4.17Å; V49-W467 HydrophobicContact CG1-CH2 3.86Å; V49-W467 HydrophobicContact CG1-CZ2 4.3Å; V49-W467 HydrophobicContact CG1-CZ3 4.02Å; V49-W467 HydrophobicContact CG2-CH2 4.39Å; V49-W467 HydrophobicContact CG2-CZ2 3.99Å; V49-I471 HydrophobicContact CG1-CB 4.43Å; V49-P473 HydrophobicContact CG2-CB 3.89Å; V49-P473 HydrophobicContact CG2-CG 4.23Å
50L98.5Very high98.4Very high16 Ų1635.6 Ų35.68%0.08417%0.172CC..Hα-helixtrans-55.7-45.4179-172.967.2000111.3W42 G46 V47 K52 V53 E54 L156 V448 T449 V452W42-L50 HydrophobicContact CD2-CD2 4.03Å; W42-L50 HydrophobicContact CE3-CB 4.1Å; W42-L50 HydrophobicContact CE3-CD2 4.19Å; W42-L50 HydrophobicContact CG-CD2 4.4Å; W42-L50 HydrophobicContact CH2-CD1 4.14Å; W42-L50 HydrophobicContact CZ2-CD1 4.38Å; W42-L50 HydrophobicContact CZ3-CB 4.03Å; W42-L50 HydrophobicContact CZ3-CD1 4.35Å; G46-L50 WeakPolarHBondContact O-CB 3.29Å; G46-L50 PolarHBondContact O-N 3.2Å; V47-L50 PolarHBondContact O-N 2.96Å; L50-K52 PolarHBondContact O-N 2.92Å; L50-V53 PolarHBondContact O-N 2.89Å; L50-E54 WeakPolarHBondContact O-CG 3.36Å; L50-E54 PolarHBondContact O-N 2.87Å; L50-L156 HydrophobicContact CD1-CD2 4.21Å; L50-L156 HydrophobicContact CD2-CD2 4.26Å; L50-L156 HydrophobicContact CG-CD2 4.27Å; L50-V448 HydrophobicContact CD1-CG1 3.86Å; L50-T449 HydrophobicContact CD1-CG2 3.96Å; L50-V452 HydrophobicContact CD1-CG2 4.14Å
51K98.5Very high98.5Very high97 Ų9734.2 Ų34.242%0.42217%0.167SC..Hα-helixtrans-66.4-32.2177.5-69-56.1179.5-159.80113.8V47 V49 E54 N55V47-K51 HydrophobicContact CG1-CG 4.23Å; V47-K51 WeakPolarHBondContact O-CB 3.42Å; V47-K51 VanDerWaalsContact O-CG 3.32Å; V47-K51 WeakPolarHBondContact O-CG 3.33Å; V47-K51 PolarHBondContact O-N 3.15Å; V49-K51 VanDerWaalsContact C-N 3.3Å; V49-K51 PolarHBondContact O-N 3.45Å; K51-E54 VanDerWaalsContact CD-OE2 3.26Å; K51-E54 WeakPolarHBondContact CD-OE2 2.82Å; K51-E54 IonicContact NZ-OE1 3.67Å; K51-E54 PolarHBondContact NZ-OE1 2.94Å; K51-E54 IonicContact NZ-OE2 3.48Å; K51-E54 PolarHBondContact NZ-OE2 3.35Å; K51-N55 WeakPolarHBondContact O-CB 3.39Å; K51-N55 PolarHBondContact O-N 2.97Å; K51-N55 PolarHBondContact O-ND2 3.06Å; K51-N55 PolarHBondContact O-OD1 3.32Å
52K98.7Very high98.5Very high35 Ų3534.6 Ų34.615%0.15217%0.166CC..Hα-helixtrans-65.9-43.4172.2-73.7167.1175.5-92.40111.4R48 V49 L50 N55 I56 A472 E506R48-K52 WeakPolarHBondContact O-CG 3.44Å; R48-K52 PolarHBondContact O-N 2.96Å; V49-K52 WeakPolarHBondContact O-CB 3.44Å; V49-K52 PolarHBondContact O-N 3.27Å; L50-K52 PolarHBondContact O-N 2.92Å; K52-N55 PolarHBondContact O-N 3.44Å; K52-I56 WeakPolarHBondContact O-CG1 3.4Å; K52-I56 PolarHBondContact O-N 2.66Å; K52-A472 WeakPolarHBondContact CD-O 3.43Å; K52-A472 WeakPolarHBondContact CE-O 3.43Å; K52-A472 PolarHBondContact NZ-O 3.19Å; K52-E506 WeakPolarHBondContact CE-OE2 3.31Å; K52-E506 IonicContact NZ-OE2 2.74Å; K52-E506 PolarHBondContact NZ-OE2 2.93Å
53V98.7Very high98.5Very high0 Ų037.8 Ų37.80%019%0.187CC..Hα-helixtrans-60.7-50.3174.6176.80000110.5V49 L50 N55 I56 V57 M188 V448 V451 V452 I471V49-V53 PolarHBondContact O-N 3.29Å; L50-V53 PolarHBondContact O-N 2.89Å; V53-N55 VanDerWaalsContact C-N 3.27Å; V53-N55 PolarHBondContact O-N 2.87Å; V53-I56 PolarHBondContact O-N 2.88Å; V53-V57 VanDerWaalsContact O-CG2 3.32Å; V53-V57 WeakPolarHBondContact O-CG2 3.45Å; V53-V57 PolarHBondContact O-N 3.43Å; V53-M188 HydrophobicContact CB-CE 4.27Å; V53-M188 HydrophobicContact CG1-CE 3.64Å; V53-M188 HydrophobicContact CG1-SD 4.18Å; V53-V448 HydrophobicContact CB-CG1 4.42Å; V53-V448 HydrophobicContact CG1-CG1 3.84Å; V53-V451 HydrophobicContact CG1-CB 4.18Å; V53-V451 HydrophobicContact CG1-CG1 3.79Å; V53-V451 HydrophobicContact CG2-CG1 4.37Å; V53-V452 HydrophobicContact CG2-CG2 3.97Å; V53-I471 HydrophobicContact CG2-CB 4.46Å; V53-I471 HydrophobicContact CG2-CG2 3.97Å
54E98.6Very high98.5Very high10 Ų1038.5 Ų38.55%0.04720%0.196CC..Hα-helixtrans-54.6-42.7176.5-70.6179.6-154.100112.4L50 K51 V57 R58 I135 L156 V448L50-E54 WeakPolarHBondContact O-CG 3.36Å; L50-E54 PolarHBondContact O-N 2.87Å; K51-E54 VanDerWaalsContact CD-OE2 3.26Å; K51-E54 WeakPolarHBondContact CD-OE2 2.82Å; K51-E54 IonicContact NZ-OE1 3.67Å; K51-E54 PolarHBondContact NZ-OE1 2.94Å; K51-E54 IonicContact NZ-OE2 3.48Å; K51-E54 PolarHBondContact NZ-OE2 3.35Å; E54-V57 PolarHBondContact O-N 3.14Å; E54-R58 VanDerWaalsContact O-CB 3.26Å; E54-R58 WeakPolarHBondContact O-CB 3.41Å; E54-R58 PolarHBondContact O-N 2.98Å; E54-I135 HydrophobicContact CB-CD1 4.25Å; E54-I135 HydrophobicContact CG-CG2 3.85Å; E54-L156 HydrophobicContact CG-CD2 3.79Å; E54-L156 WeakPolarHBondContact OE1-CD2 3.16Å; E54-V448 HydrophobicContact CG-CG1 3.85Å
55N98.7Very high98.5Very high75 Ų7539 Ų3940%0.40121%0.209SC..Hα-helixtrans-69.9-42.1-177-71.5-14.5000112.5K51 K52 V53 V57 R58 E59K51-N55 WeakPolarHBondContact O-CB 3.39Å; K51-N55 PolarHBondContact O-N 2.97Å; K51-N55 PolarHBondContact O-ND2 3.06Å; K51-N55 PolarHBondContact O-OD1 3.32Å; K52-N55 PolarHBondContact O-N 3.44Å; V53-N55 VanDerWaalsContact C-N 3.27Å; V53-N55 PolarHBondContact O-N 2.87Å; N55-V57 VanDerWaalsContact C-N 3.31Å; N55-V57 PolarHBondContact O-N 3.19Å; N55-R58 PolarHBondContact O-N 3.4Å; N55-R58 PolarHBondContact OD1-NH1 2.92Å; N55-E59 WeakPolarHBondContact O-CB 3.42Å; N55-E59 VanDerWaalsContact O-CG 3.3Å; N55-E59 WeakPolarHBondContact O-CG 3.32Å; N55-E59 PolarHBondContact O-N 3.09Å
56I98.8Very high98.6Very high10 Ų1039.2 Ų39.25%0.05121%0.211CC..Hα-helixtrans-60.5-45174.2-67167.9000110.1K52 V53 E59 E60 I184 R187 M188 A470 I471K52-I56 WeakPolarHBondContact O-CG1 3.4Å; K52-I56 PolarHBondContact O-N 2.66Å; V53-I56 PolarHBondContact O-N 2.88Å; I56-E59 PolarHBondContact O-N 2.92Å; I56-E60 PolarHBondContact O-N 2.88Å; I56-E60 VanDerWaalsContact O-N 3.15Å; I56-I184 HydrophobicContact CG2-CG2 4.49Å; I56-R187 HydrophobicContact CG2-CB 3.91Å; I56-M188 HydrophobicContact CB-CE 3.83Å; I56-M188 HydrophobicContact CD1-CE 4.45Å; I56-M188 HydrophobicContact CD1-CG 3.89Å; I56-M188 HydrophobicContact CG2-CE 3.76Å; I56-M188 HydrophobicContact CG2-CG 4.28Å; I56-A470 HydrophobicContact CD1-CB 4.06Å; I56-I471 HydrophobicContact CD1-CG2 3.95Å
57V98.8Very high98.6Very high0 Ų043 Ų430%023%0.231CC..Hα-helixtrans-58.9-51.7176.4172.90000110.5V53 E54 N55 E59 E60 M61 I135 K158 I184 M188V53-V57 VanDerWaalsContact O-CG2 3.32Å; V53-V57 WeakPolarHBondContact O-CG2 3.45Å; V53-V57 PolarHBondContact O-N 3.43Å; E54-V57 PolarHBondContact O-N 3.14Å; N55-V57 VanDerWaalsContact C-N 3.31Å; N55-V57 PolarHBondContact O-N 3.19Å; V57-E59 VanDerWaalsContact C-N 3.34Å; V57-E59 PolarHBondContact O-N 3.25Å; V57-E60 PolarHBondContact O-N 3.33Å; V57-M61 HydrophobicContact CG1-CG 4.08Å; V57-M61 WeakPolarHBondContact O-CB 3.18Å; V57-M61 VanDerWaalsContact O-CG 3.22Å; V57-M61 WeakPolarHBondContact O-CG 3.36Å; V57-M61 PolarHBondContact O-N 3.35Å; V57-I135 HydrophobicContact CB-CD1 4.46Å; V57-I135 HydrophobicContact CG1-CD1 4.2Å; V57-K158 HydrophobicContact CG1-CB 3.93Å; V57-K158 HydrophobicContact CG1-CD 4.32Å; V57-K158 HydrophobicContact CG1-CG 3.62Å; V57-I184 HydrophobicContact CB-CD1 4.39Å; V57-I184 HydrophobicContact CG1-CD1 4.21Å; V57-I184 HydrophobicContact CG2-CD1 4.34Å; V57-I184 HydrophobicContact CG2-CG2 3.77Å; V57-M188 HydrophobicContact CG2-CE 3.84Å
58R98.8Very high98.6Very high56 Ų5643.7 Ų43.721%0.21123%0.23CC..Hα-helixtrans-56.6-45.6179.8177.2175.2-67.3101.24.1112.4E54 N55 M61 N62 E68 Y133 I135E54-R58 VanDerWaalsContact O-CB 3.26Å; E54-R58 WeakPolarHBondContact O-CB 3.41Å; E54-R58 PolarHBondContact O-N 2.98Å; N55-R58 PolarHBondContact O-N 3.4Å; N55-R58 PolarHBondContact OD1-NH1 2.92Å; R58-M61 PolarHBondContact O-N 2.99Å; R58-N62 WeakPolarHBondContact O-CB 3.45Å; R58-N62 PolarHBondContact O-N 3.32Å; R58-N62 PolarHBondContact O-ND2 3.26Å; R58-N62 PolarHBondContact O-OD1 2.96Å; R58-E68 WeakPolarHBondContact CD-OE2 3.22Å; R58-E68 IonicContact CZ-OE1 2.76Å; R58-E68 IonicContact CZ-OE2 3.53Å; R58-E68 IonicContact NE-OE1 3.78Å; R58-E68 PolarHBondContact NE-OE1 3.2Å; R58-E68 VanDerWaalsContact NE-OE1 3.14Å; R58-E68 IonicContact NE-OE2 3.12Å; R58-E68 PolarHBondContact NE-OE2 3.42Å; R58-E68 IonicContact NH2-OE1 2.67Å; R58-E68 PolarHBondContact NH2-OE1 3.45Å; R58-E68 IonicContact NH2-OE2 2.73Å; R58-Y133 WeakPolarHBondContact CG-OH 3.28Å; R58-Y133 PolarHBondContact O-OH 3.13Å; R58-I135 HydrophobicContact CB-CD1 4.38Å
59E98.8Very high98.6Very high91 Ų9142.5 Ų42.543%0.42523%0.23SC..Hα-helixtrans-59.8-48178.1-75.2171.3-164.800111.9N55 I56 V57 N62 N63 R187N55-E59 WeakPolarHBondContact O-CB 3.42Å; N55-E59 VanDerWaalsContact O-CG 3.3Å; N55-E59 WeakPolarHBondContact O-CG 3.32Å; N55-E59 PolarHBondContact O-N 3.09Å; I56-E59 PolarHBondContact O-N 2.92Å; V57-E59 VanDerWaalsContact C-N 3.34Å; V57-E59 PolarHBondContact O-N 3.25Å; E59-N62 PolarHBondContact O-N 2.95Å; E59-N63 WeakPolarHBondContact O-CB 3.46Å; E59-N63 PolarHBondContact O-N 3.46Å; E59-N63 PolarHBondContact O-ND2 3.32Å; E59-N63 PolarHBondContact O-OD1 2.96Å; E59-R187 IonicContact OE2-CZ 2.71Å; E59-R187 IonicContact OE2-NH1 3.54Å; E59-R187 PolarHBondContact OE2-NH1 3.21Å; E59-R187 IonicContact OE2-NH2 3.81Å; E59-R187 PolarHBondContact OE2-NH2 3.34Å
60E98.8Very high98.6Very high16 Ų1647.8 Ų47.88%0.07527%0.267CS..Hα-helixtrans-72.8-33.3-179.1-64.2-51.6141.500113.3I56 V57 N63 A64 K183 I184 R187I56-E60 PolarHBondContact O-N 2.88Å; I56-E60 VanDerWaalsContact O-N 3.15Å; V57-E60 PolarHBondContact O-N 3.33Å; E60-N63 PolarHBondContact O-N 3.22Å; E60-A64 WeakPolarHBondContact O-CB 2.95Å; E60-A64 PolarHBondContact O-N 3.2Å; E60-K183 HydrophobicContact CG-CB 4.25Å; E60-I184 HydrophobicContact CB-CD1 3.96Å; E60-I184 HydrophobicContact CB-CG1 3.42Å; E60-I184 VanDerWaalsContact CB-CG1 3.42Å; E60-I184 HydrophobicContact CG-CG1 3.64Å; E60-R187 WeakPolarHBondContact OE1-CD 3.15Å; E60-R187 IonicContact OE1-CZ 2.66Å; E60-R187 IonicContact OE1-NE 3.64Å; E60-R187 IonicContact OE1-NH1 2.77Å; E60-R187 PolarHBondContact OE1-NH1 2.93Å
61M98.8Very high98.6Very high0 Ų047.6 Ų47.60%027%0.266CS..Hα-helixtrans-62.4-45171.7-68.7-59.8-51.800110.8V57 R58 A64 G65 A66 Y133 K158 A160 M177 Y181V57-M61 HydrophobicContact CG1-CG 4.08Å; V57-M61 WeakPolarHBondContact O-CB 3.18Å; V57-M61 VanDerWaalsContact O-CG 3.22Å; V57-M61 WeakPolarHBondContact O-CG 3.36Å; V57-M61 PolarHBondContact O-N 3.35Å; R58-M61 PolarHBondContact O-N 2.99Å; M61-A64 CarbonylContact O-C 3.48Å; M61-A64 PolarHBondContact O-N 3.45Å; M61-G65 PolarHBondContact O-N 2.9Å; M61-A66 HydrophobicContact CB-CB 4.33Å; M61-A66 HydrophobicContact CE-CB 3.55Å; M61-A66 WeakPolarHBondContact O-CB 3.29Å; M61-A66 PolarHBondContact O-N 3.44Å; M61-Y133 HydrophobicContact CB-CD1 4.05Å; M61-Y133 HydrophobicContact CB-CD2 4.34Å; M61-Y133 HydrophobicContact CB-CE1 3.67Å; M61-Y133 HydrophobicContact CB-CE2 4Å; M61-Y133 HydrophobicContact CB-CG 4.34Å; M61-Y133 HydrophobicContact CE-CD1 4.19Å; M61-Y133 HydrophobicContact CE-CG 4.04Å; M61-Y133 HydrophobicContact CG-CD2 4.19Å; M61-Y133 HydrophobicContact CG-CE2 4.13Å; M61-Y133 HydrophobicContact CG-CG 4.39Å; M61-K158 HydrophobicContact CE-CD 4.25Å; M61-K158 HydrophobicContact CG-CD 4.17Å; M61-K158 HydrophobicContact SD-CD 3.9Å; M61-A160 HydrophobicContact CE-CB 3.77Å; M61-M177 HydrophobicContact CE-CE 3.41Å; M61-M177 VanDerWaalsContact CE-CE 3.41Å; M61-M177 HydrophobicContact CE-SD 3.9Å; M61-M177 HydrophobicContact SD-CE 3.32Å; M61-M177 WeakPolarHBondContact SD-CE 3.25Å; M61-Y181 HydrophobicContact SD-CE1 4.12Å
62N98.7Very high98.6Very high78 Ų7847 Ų4742%0.41727%0.271SS..Hα-helixtrans-65.3-40.1177.1-66.6-10.1000111.5R58 E59 A64 G65 Y133R58-N62 WeakPolarHBondContact O-CB 3.45Å; R58-N62 PolarHBondContact O-N 3.32Å; R58-N62 PolarHBondContact O-ND2 3.26Å; R58-N62 PolarHBondContact O-OD1 2.96Å; E59-N62 PolarHBondContact O-N 2.95Å; N62-A64 PolarHBondContact O-N 3.42Å; N62-G65 PolarHBondContact O-N 2.95Å; N62-Y133 WeakPolarHBondContact OD1-CE1 3.4Å; N62-Y133 PolarHBondContact OD1-OH 3.25Å
63N98.4Very high98.6Very high119 Ų11947.6 Ų47.664%0.63628%0.278SS*.Hα-helixtrans-62.5-30.2174.8-69.8-21.6000112.4E59 E60 G65E59-N63 WeakPolarHBondContact O-CB 3.46Å; E59-N63 PolarHBondContact O-N 3.46Å; E59-N63 PolarHBondContact O-ND2 3.32Å; E59-N63 PolarHBondContact O-OD1 2.96Å; E60-N63 PolarHBondContact O-N 3.22Å; N63-G65 PolarHBondContact O-N 3.3Å
64A98.2Very high98.6Very high36 Ų3650.9 Ų50.930%0.29830%0.298SS..THydrogen-bonded Turntrans-81.63.3174.200000113.5E60 M61 N62 A66 A180E60-A64 WeakPolarHBondContact O-CB 2.95Å; E60-A64 PolarHBondContact O-N 3.2Å; M61-A64 CarbonylContact O-C 3.48Å; M61-A64 PolarHBondContact O-N 3.45Å; N62-A64 PolarHBondContact O-N 3.42Å; A64-A66 VanDerWaalsContact C-N 3.33Å; A64-A180 HydrophobicContact CB-CB 3.94Å
65G97.9Very high98.6Very high56 Ų5650.5 Ų50.558%0.57730%0.296SS*.THydrogen-bonded Turntrans79.410.8179.500000114.7M61 N62 N63M61-G65 PolarHBondContact O-N 2.9Å; N62-G65 PolarHBondContact O-N 2.95Å; N63-G65 PolarHBondContact O-N 3.3Å
66A98.6Very high98.6Very high5 Ų549.4 Ų49.44%0.04129%0.293CS..  trans-77.1147.6174.300000111.4M61 A64 N131 Y133M61-A66 HydrophobicContact CB-CB 4.33Å; M61-A66 HydrophobicContact CE-CB 3.55Å; M61-A66 WeakPolarHBondContact O-CB 3.29Å; M61-A66 PolarHBondContact O-N 3.44Å; A64-A66 VanDerWaalsContact C-N 3.33Å; A66-N131 CarbonylContact C-O 3.52Å; A66-N131 WeakPolarHBondContact CA-O 3.43Å; A66-N131 HydrophobicContact CB-CB 4.34Å; A66-Y133 HydrophobicContact CB-CD1 3.69Å; A66-Y133 HydrophobicContact CB-CE1 4.16Å
67I98.7Very high98.6Very high80 Ų8048.9 Ų48.941%0.4129%0.291SS..EExtended strand (participates in β ladder)trans-111.4121.8-171.9-55.9169.1000109.6L130 N131 F132 Y133I67-L130 HydrophobicContact CD1-CD2 4.29Å; I67-N131 PolarHBondContact N-O 3.31Å; I67-F132 HydrophobicContact CB-CD1 3.99Å; I67-F132 HydrophobicContact CB-CE1 4.23Å; I67-F132 HydrophobicContact CD1-CE1 4.24Å; I67-F132 HydrophobicContact CG2-CD1 4.26Å; I67-F132 HydrophobicContact CG2-CE1 4.29Å; I67-F132 CarbonylContact O-C 3.59Å; I67-F132 WeakPolarHBondContact O-CA 3.47Å; I67-Y133 PolarHBondContact O-N 2.8Å
68E98.8Very high98.5Very high74 Ų7453.5 Ų53.535%0.34632%0.315SS..EExtended strand (participates in β ladder)trans-73.9128.4-179.6-161.4171.5-17000111.5R58 Y133R58-E68 WeakPolarHBondContact CD-OE2 3.22Å; R58-E68 IonicContact CZ-OE1 2.76Å; R58-E68 IonicContact CZ-OE2 3.53Å; R58-E68 IonicContact NE-OE1 3.78Å; R58-E68 PolarHBondContact NE-OE1 3.2Å; R58-E68 VanDerWaalsContact NE-OE1 3.14Å; R58-E68 IonicContact NE-OE2 3.12Å; R58-E68 PolarHBondContact NE-OE2 3.42Å; R58-E68 IonicContact NH2-OE1 2.67Å; R58-E68 PolarHBondContact NH2-OE1 3.45Å; R58-E68 IonicContact NH2-OE2 2.73Å; E68-Y133 CarbonylContact C-O 3.58Å; E68-Y133 VanDerWaalsContact CA-O 3.26Å; E68-Y133 WeakPolarHBondContact CA-O 3.42Å; E68-Y133 HydrophobicContact CB-CD1 4.32Å; E68-Y133 HydrophobicContact CB-CE1 3.69Å; E68-Y133 HydrophobicContact CB-CE2 4.12Å; E68-Y133 HydrophobicContact CG-CD2 4.36Å; E68-Y133 HydrophobicContact CG-CE1 4.32Å; E68-Y133 HydrophobicContact CG-CE2 3.82Å
69V98.7Very high98.4Very high39 Ų3951.5 Ų51.524%0.23631%0.309CS..  trans-125.9171171.9-62.90000109.4M71 F132 Y133 Q134V69-M71 HydrophobicContact CG2-CE 4.23Å; V69-M71 HydrophobicContact CG2-CG 4.48Å; V69-F132 HydrophobicContact CG1-CD1 3.72Å; V69-F132 HydrophobicContact CG1-CE1 4.39Å; V69-F132 HydrophobicContact CG1-CG 4.47Å; V69-F132 HydrophobicContact CG2-CB 4.24Å; V69-Y133 WeakPolarHBondContact CG2-O 3.5Å; V69-Y133 PolarHBondContact N-O 3.37Å; V69-Q134 WeakPolarHBondContact O-CA 3.25Å; V69-Q134 WeakPolarHBondContact O-CB 3.17Å
70S98.3Very high98.4Very high111 Ų11147.1 Ų47.178%0.77629%0.288SS*.  trans-135.4107.8176.1173.40000109.6
71M98.7Very high98.3Very high12 Ų1251 Ų516%0.05931%0.307CS..  trans-97.6151.3-177.7-65179.1-9000112V69 H110 V113 I114 Q134 Q136 Y161V69-M71 HydrophobicContact CG2-CE 4.23Å; V69-M71 HydrophobicContact CG2-CG 4.48Å; M71-H110 VanDerWaalsContact CB-CD2 3.48Å; M71-H110 WeakPolarHBondContact CB-CD2 3.35Å; M71-H110 HydrophobicContact CE-CB 3.87Å; M71-H110 HydrophobicContact SD-CB 4.1Å; M71-V113 HydrophobicContact CB-CG1 4.09Å; M71-V113 HydrophobicContact CG-CG1 4.11Å; M71-V113 HydrophobicContact SD-CB 4.1Å; M71-V113 HydrophobicContact SD-CG1 3.75Å; M71-I114 HydrophobicContact CE-CB 4.19Å; M71-I114 HydrophobicContact CE-CD1 4.17Å; M71-I114 HydrophobicContact SD-CB 3.87Å; M71-I114 HydrophobicContact SD-CD1 3.97Å; M71-I114 HydrophobicContact SD-CG1 4.47Å; M71-Q134 HydrophobicContact CE-CG 4.1Å; M71-Q136 PolarHBondContact O-NE2 3.07Å; M71-Y161 HydrophobicContact CE-CD2 4.28Å; M71-Y161 HydrophobicContact CE-CE2 3.9Å
72P98.5Very high98.3Very high83 Ų8354.9 Ų54.954%0.53932%0.324SS..  trans-59.3142.7177.9-25.235.6000113.3V74 H110 Q136P72-V74 WeakPolarHBondContact CB-O 3.4Å; P72-H110 PolarHBondContact O-NE2 3.33Å; P72-Q136 PolarHBondContact O-NE2 3.47Å
73V98.5Very high98.1Very high49 Ų4952 Ų5230%0.29731%0.31SS..SBendtrans-74.3-39.5169-175.70000110.1L106 G107 Q136V73-L106 HydrophobicContact CG1-CB 4.45Å; V73-L106 HydrophobicContact CG1-CD2 4.23Å; V73-G107 PolarHBondContact O-N 3.29Å; V73-Q136 HydrophobicContact CG2-CG 4.49Å
74V98.6Very high97.9Very high69 Ų6947.7 Ų47.742%0.41829%0.294SS..EExtended strand (participates in β ladder)trans-79.7121.2175.2175.20000108.8P72 F96 F104 L106P72-V74 WeakPolarHBondContact CB-O 3.4Å; V74-F96 HydrophobicContact CB-CZ 4.38Å; V74-F96 HydrophobicContact CG1-CE1 4.46Å; V74-F96 HydrophobicContact CG1-CZ 3.67Å; V74-F96 HydrophobicContact CG2-CZ 3.98Å; V74-F104 HydrophobicContact CG1-CB 4.15Å; V74-F104 HydrophobicContact CG1-CD1 3.66Å; V74-F104 HydrophobicContact CG1-CE1 4.36Å; V74-F104 HydrophobicContact CG1-CG 4.04Å; V74-L106 HydrophobicContact CG2-CD2 3.99Å
75Q98.7Very high97.7Very high2 Ų246.9 Ų46.91%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-125.6136.9-175-58173-2.400110.3W80 F104 V105 T109 H110 V113Q75-W80 VanDerWaalsContact OE1-CE2 3.32Å; Q75-F104 CarbonylContact O-C 3.35Å; Q75-F104 VanDerWaalsContact O-CA 3.25Å; Q75-F104 WeakPolarHBondContact O-CA 3.39Å; Q75-F104 WeakPolarHBondContact O-CB 3.34Å; Q75-F104 WeakPolarHBondContact O-CD1 3.26Å; Q75-V105 HydrophobicContact CB-CG2 3.89Å; Q75-V105 PolarHBondContact N-O 3.06Å; Q75-V105 PolarHBondContact O-N 3.08Å; Q75-T109 PolarHBondContact NE2-O 3.43Å; Q75-T109 VanDerWaalsContact NE2-O 3.12Å; Q75-H110 PolarHBondContact NE2-CD2 2.84Å; Q75-H110 PolarHBondContact NE2-CE1 3.46Å; Q75-H110 PolarHBondContact NE2-NE2 3.43Å; Q75-V113 HydrophobicContact CB-CG2 4.33Å; Q75-V113 VanDerWaalsContact CD-CG2 3.44Å; Q75-V113 HydrophobicContact CG-CG2 3.68Å
76P98.3Very high97.6Very high51 Ų5146.7 Ų46.733%0.33127%0.265SS..EExtended strand (participates in β ladder)trans-66.5141.6178.128.7-34.2000110.8D78 L79 F104P76-D78 PolarHBondContact O-N 3.36Å; P76-L79 HydrophobicContact CG-CD1 3.95Å; P76-L79 HydrophobicContact CG-CG 4.05Å; P76-L79 PolarHBondContact O-N 2.78Å; P76-F104 HydrophobicContact CB-CD1 4.38Å; P76-F104 HydrophobicContact CB-CE1 4.21Å
77A98Very high97.3Very high0 Ų054.1 Ų54.10%030%0.299CS..Hα-helixtrans-61.5-31.2179.800000113.1L79 W80 Q81 W86 P103A77-L79 PolarHBondContact O-N 3.5Å; A77-W80 CarbonylContact O-C 3.6Å; A77-W80 WeakPolarHBondContact O-CA 3.44Å; A77-W80 WeakPolarHBondContact O-CB 3.24Å; A77-W80 PolarHBondContact O-N 2.86Å; A77-Q81 WeakPolarHBondContact O-CG 3.33Å; A77-Q81 PolarHBondContact O-N 3.06Å; A77-W86 HydrophobicContact CB-CD2 4.38Å; A77-W86 HydrophobicContact CB-CE3 3.64Å; A77-W86 HydrophobicContact CB-CH2 3.78Å; A77-W86 HydrophobicContact CB-CZ2 4.5Å; A77-W86 HydrophobicContact CB-CZ3 3.29Å; A77-P103 HydrophobicContact CB-CB 3.71Å; A77-P103 HydrophobicContact CB-CG 3.71Å; A77-P103 WeakPolarHBondContact CB-O 3.41Å; A77-P103 PolarHBondContact N-O 3.3Å
78D97.7Very high96.9Very high97 Ų9757.3 Ų57.352%0.51931%0.312SS..Hα-helixtrans-53-42.1-177.6-59.6-8.2000111.7P76 W80 Q81 E82P76-D78 PolarHBondContact O-N 3.36Å; D78-W80 VanDerWaalsContact C-N 3.33Å; D78-W80 PolarHBondContact O-N 2.85Å; D78-Q81 WeakPolarHBondContact O-CB 3.46Å; D78-Q81 PolarHBondContact O-N 2.65Å; D78-Q81 VanDerWaalsContact O-N 3.17Å; D78-E82 WeakPolarHBondContact O-CG 3.28Å; D78-E82 PolarHBondContact O-N 2.69Å
79L97.6Very high96.5Very high13 Ų1355.9 Ų55.97%0.06830%0.304CS..Hα-helixtrans-62.7-38.6177.5-70.3-178.4000112.8P76 A77 Q81 E82 S83 E112 V113 D116 L425P76-L79 HydrophobicContact CG-CD1 3.95Å; P76-L79 HydrophobicContact CG-CG 4.05Å; P76-L79 PolarHBondContact O-N 2.78Å; A77-L79 PolarHBondContact O-N 3.5Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-E82 PolarHBondContact O-N 2.8Å; L79-S83 PolarHBondContact O-N 3.44Å; L79-E112 HydrophobicContact CB-CB 4.09Å; L79-E112 WeakPolarHBondContact O-CG 3.39Å; L79-V113 HydrophobicContact CD1-CG2 4.29Å; L79-D116 HydrophobicContact CD1-CB 4.26Å; L79-D116 HydrophobicContact CD2-CB 3.75Å; L79-L425 HydrophobicContact CD2-CD2 4.26Å
80W97.8Very high96.1Very high0 Ų055.2 Ų55.20%031%0.305CS..Hα-helixtrans-74.7-27.5177.6-73.372.9000112.3Q75 A77 D78 S83 G84 R85 W86 Y89 L93 V105 P108 T109Q75-W80 VanDerWaalsContact OE1-CE2 3.32Å; A77-W80 CarbonylContact O-C 3.6Å; A77-W80 WeakPolarHBondContact O-CA 3.44Å; A77-W80 WeakPolarHBondContact O-CB 3.24Å; A77-W80 PolarHBondContact O-N 2.86Å; D78-W80 VanDerWaalsContact C-N 3.33Å; D78-W80 PolarHBondContact O-N 2.85Å; W80-S83 PolarHBondContact O-OG 2.78Å; W80-G84 CarbonylContact O-C 3.53Å; W80-G84 PolarHBondContact O-N 3.15Å; W80-R85 HydrophobicContact CE3-CB 3.83Å; W80-R85 HydrophobicContact CZ3-CB 4.07Å; W80-R85 PolarHBondContact O-N 3.21Å; W80-W86 HydrophobicContact CB-CB 3.95Å; W80-W86 HydrophobicContact CB-CE3 4.22Å; W80-W86 PolarHBondContact O-N 2.93Å; W80-Y89 HydrophobicContact CH2-CD2 4.35Å; W80-Y89 HydrophobicContact CH2-CE2 4.49Å; W80-Y89 AromaticContact CZ3-CD2 3.78Å; W80-Y89 HydrophobicContact CZ3-CD2 3.78Å; W80-Y89 HydrophobicContact CZ3-CE2 4.35Å; W80-Y89 HydrophobicContact CZ3-CG 4.15Å; W80-L93 HydrophobicContact CD2-CD1 4.37Å; W80-L93 HydrophobicContact CD2-CD2 4.31Å; W80-L93 HydrophobicContact CE3-CD1 3.94Å; W80-L93 HydrophobicContact CE3-CD2 3.67Å; W80-L93 HydrophobicContact CE3-CG 4.49Å; W80-L93 HydrophobicContact CH2-CD1 3.84Å; W80-L93 HydrophobicContact CZ2-CD1 4.22Å; W80-L93 HydrophobicContact CZ3-CD1 3.65Å; W80-L93 HydrophobicContact CZ3-CD2 4.04Å; W80-L93 HydrophobicContact CZ3-CG 4.49Å; W80-V105 HydrophobicContact CD2-CG2 4.25Å; W80-V105 HydrophobicContact CG-CG2 4.35Å; W80-V105 HydrophobicContact CZ2-CG2 4.24Å; W80-P108 VanDerWaalsContact CH2-CD 3.49Å; W80-P108 HydrophobicContact CH2-CG 3.43Å; W80-P108 VanDerWaalsContact CH2-CG 3.43Å; W80-P108 HydrophobicContact CZ2-CG 4.08Å; W80-P108 HydrophobicContact CZ3-CG 4.24Å; W80-T109 HydrophobicContact CH2-CG2 4.41Å
81Q97.5Very high95.9Very high98 Ų9854.6 Ų54.646%0.45830%0.298SS..Hα-helixtrans-72.9-40.5172.9-68.1170.7-400110.5A77 D78 L79 S83 G84 W86A77-Q81 WeakPolarHBondContact O-CG 3.33Å; A77-Q81 PolarHBondContact O-N 3.06Å; D78-Q81 WeakPolarHBondContact O-CB 3.46Å; D78-Q81 PolarHBondContact O-N 2.65Å; D78-Q81 VanDerWaalsContact O-N 3.17Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; Q81-S83 VanDerWaalsContact C-N 3.3Å; Q81-S83 PolarHBondContact O-N 3.22Å; Q81-G84 PolarHBondContact O-N 2.92Å; Q81-W86 HydrophobicContact CG-CB 3.86Å; Q81-W86 HydrophobicContact CG-CD2 4.4Å; Q81-W86 HydrophobicContact CG-CG 3.88Å
82E97.1Very high95.8Very high80 Ų8057.1 Ų57.137%0.37431%0.31SS..Hα-helixtrans-57.5-41.5174.4-71.7-172.7-104.100111.8D78 L79 G84 R119 L425D78-E82 WeakPolarHBondContact O-CG 3.28Å; D78-E82 PolarHBondContact O-N 2.69Å; L79-E82 PolarHBondContact O-N 2.8Å; E82-G84 VanDerWaalsContact C-N 3.32Å; E82-R119 IonicContact OE1-CZ 2.72Å; E82-R119 IonicContact OE1-NH1 2.72Å; E82-R119 IonicContact OE1-NH2 2.67Å; E82-R119 PolarHBondContact OE1-NH2 3.28Å; E82-R119 IonicContact OE2-CZ 2.69Å; E82-R119 IonicContact OE2-NH1 2.93Å; E82-R119 PolarHBondContact OE2-NH1 2.9Å; E82-R119 IonicContact OE2-NH2 3.03Å; E82-L425 HydrophobicContact CB-CD1 4.37Å; E82-L425 HydrophobicContact CB-CG 4.11Å
83S95.5Very high95.7Very high18 Ų1853.2 Ų53.213%0.12628%0.284CS..THydrogen-bonded Turntrans-79.5-9.5176.472.70000114.6L79 W80 Q81 R85 E112L79-S83 PolarHBondContact O-N 3.44Å; W80-S83 PolarHBondContact O-OG 2.78Å; Q81-S83 VanDerWaalsContact C-N 3.3Å; Q81-S83 PolarHBondContact O-N 3.22Å; S83-R85 PolarHBondContact O-N 3.07Å; S83-R85 WeakPolarHBondContact OG-CB 3.37Å; S83-R85 PolarHBondContact OG-N 2.92Å; S83-E112 WeakPolarHBondContact CB-OE1 3.42Å; S83-E112 WeakPolarHBondContact OG-CG 3.3Å; S83-E112 PolarHBondContact OG-OE1 3.37Å
84G94.3Very high95.7Very high28 Ų2853.3 Ų53.329%0.28928%0.283SS..SBendtrans74.6-7-171.500000114.9W80 Q81 E82 W86 E87 Q88W80-G84 CarbonylContact O-C 3.53Å; W80-G84 PolarHBondContact O-N 3.15Å; Q81-G84 PolarHBondContact O-N 2.92Å; E82-G84 VanDerWaalsContact C-N 3.32Å; G84-W86 PolarHBondContact O-N 3.3Å; G84-E87 PolarHBondContact O-N 2.89Å; G84-Q88 WeakPolarHBondContact O-CG 3.27Å; G84-Q88 PolarHBondContact O-N 3.07Å
85R94.5Very high95.6Very high19 Ų1954.3 Ų54.37%0.07228%0.279CS..Hα-helixtrans-73.4-13.6-177.1-71.7176.260.7-15518.1113.8W80 S83 E87 Y89 E111 E112 Y421W80-R85 HydrophobicContact CE3-CB 3.83Å; W80-R85 HydrophobicContact CZ3-CB 4.07Å; W80-R85 PolarHBondContact O-N 3.21Å; S83-R85 PolarHBondContact O-N 3.07Å; S83-R85 WeakPolarHBondContact OG-CB 3.37Å; S83-R85 PolarHBondContact OG-N 2.92Å; R85-E87 PolarHBondContact O-N 2.87Å; R85-Y89 WeakPolarHBondContact O-CB 3.34Å; R85-Y89 PolarHBondContact O-N 2.63Å; R85-E111 IonicContact CZ-OE2 3.77Å; R85-E111 IonicContact NH1-OE2 2.78Å; R85-E111 PolarHBondContact NH1-OE2 2.74Å; R85-E111 IonicContact NH2-OE2 3.38Å; R85-E112 VanDerWaalsContact CD-OE1 3.25Å; R85-E112 WeakPolarHBondContact CD-OE1 3.31Å; R85-E112 IonicContact CZ-OE1 3.77Å; R85-E112 IonicContact NE-OE1 3.14Å; R85-E112 VanDerWaalsContact NH1-CD 3.34Å; R85-E112 IonicContact NH1-OE1 2.76Å; R85-E112 PolarHBondContact NH1-OE1 2.71Å; R85-E112 IonicContact NH1-OE2 3.86Å; R85-E112 PolarHBondContact NH1-OE2 3.13Å; R85-Y421 WeakPolarHBondContact CD-OH 3.49Å; R85-Y421 VanDerWaalsContact CZ-OH 3.27Å; R85-Y421 PolarHBondContact NH1-OH 2.7Å
86W95.1Very high95.6Very high52 Ų5257.8 Ų57.820%0.19729%0.294CS..Hα-helixtrans-51.7-41.2171.5175.7-98.4000112.3A77 W80 Q81 G84 R95 P103 V105A77-W86 HydrophobicContact CB-CD2 4.38Å; A77-W86 HydrophobicContact CB-CE3 3.64Å; A77-W86 HydrophobicContact CB-CH2 3.78Å; A77-W86 HydrophobicContact CB-CZ2 4.5Å; A77-W86 HydrophobicContact CB-CZ3 3.29Å; W80-W86 HydrophobicContact CB-CB 3.95Å; W80-W86 HydrophobicContact CB-CE3 4.22Å; W80-W86 PolarHBondContact O-N 2.93Å; Q81-W86 HydrophobicContact CG-CB 3.86Å; Q81-W86 HydrophobicContact CG-CD2 4.4Å; Q81-W86 HydrophobicContact CG-CG 3.88Å; G84-W86 PolarHBondContact O-N 3.3Å; W86-R95 HydrophobicContact CH2-CB 4.04Å; W86-R95 HydrophobicContact CH2-CG 3.66Å; W86-R95 HydrophobicContact CZ2-CG 4.19Å; W86-R95 HydrophobicContact CZ3-CG 3.87Å; W86-R95 PolarHBondContact O-NE 3.37Å; W86-R95 PolarHBondContact O-NH2 3.21Å; W86-P103 HydrophobicContact CH2-CB 4.06Å; W86-V105 HydrophobicContact CE3-CG1 3.96Å; W86-V105 HydrophobicContact CH2-CG1 4.49Å; W86-V105 HydrophobicContact CZ3-CG1 3.47Å; W86-V105 VanDerWaalsContact CZ3-CG1 3.47Å
87E93.1Very high95.6Very high162 Ų16260 Ų6076%0.75731%0.306SS*.Hα-helixtrans-92.7-46.7177.2-61.5-174.8172.600111.2G84 R85 Y89 G90G84-E87 PolarHBondContact O-N 2.89Å; R85-E87 PolarHBondContact O-N 2.87Å; E87-Y89 VanDerWaalsContact C-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.45Å; E87-G90 PolarHBondContact O-N 2.9Å
88Q89.2Confident95.6Very high146 Ų14661.7 Ų61.768%0.68232%0.316SS*.Hα-helixtrans-67.6-26.3-171-63.2174.3-4.400114.4G84 G90G84-Q88 WeakPolarHBondContact O-CG 3.27Å; G84-Q88 PolarHBondContact O-N 3.07Å; Q88-G90 PolarHBondContact O-N 3.1Å
89Y90.4Very high95.6Very high45 Ų4569 Ų6918%0.17634%0.336CS..THydrogen-bonded Turntrans-69.3-19.1-179.3-156.9-80.7000112.6W80 R85 E87 E92 L93 P108W80-Y89 HydrophobicContact CH2-CD2 4.35Å; W80-Y89 HydrophobicContact CH2-CE2 4.49Å; W80-Y89 AromaticContact CZ3-CD2 3.78Å; W80-Y89 HydrophobicContact CZ3-CD2 3.78Å; W80-Y89 HydrophobicContact CZ3-CE2 4.35Å; W80-Y89 HydrophobicContact CZ3-CG 4.15Å; R85-Y89 WeakPolarHBondContact O-CB 3.34Å; R85-Y89 PolarHBondContact O-N 2.63Å; E87-Y89 VanDerWaalsContact C-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.45Å; Y89-E92 HydrophobicContact CD1-CB 4.18Å; Y89-E92 HydrophobicContact CE1-CB 3.83Å; Y89-L93 HydrophobicContact CD1-CB 3.66Å; Y89-L93 HydrophobicContact CD1-CD1 4.47Å; Y89-L93 HydrophobicContact CE1-CB 4.49Å; Y89-L93 HydrophobicContact CG-CB 4.18Å; Y89-P108 HydrophobicContact CE1-CB 4.14Å; Y89-P108 HydrophobicContact CE1-CG 3.93Å; Y89-P108 HydrophobicContact CE2-CB 4.47Å; Y89-P108 HydrophobicContact CE2-CG 3.89Å; Y89-P108 WeakPolarHBondContact OH-CB 3.44Å
90G91.7Very high95.6Very high24 Ų2470.8 Ų70.825%0.24736%0.357CS..G310 helixtrans75.9-154.1174.900000114.5E87 Q88 E92 R95E87-G90 PolarHBondContact O-N 2.9Å; Q88-G90 PolarHBondContact O-N 3.1Å; G90-E92 VanDerWaalsContact C-N 3.32Å; G90-E92 PolarHBondContact O-N 3.08Å; G90-R95 PolarHBondContact O-NH1 3.3Å; G90-R95 PolarHBondContact O-NH2 3.27Å
91P94.1Very high95.6Very high98 Ų9878.9 Ų78.964%0.63640%0.395SS*.G310 helixtrans-75-18.4-169.929.7-34.7000113.8L93P91-L93 PolarHBondContact O-N 2.76Å
92E95Very high95.6Very high65 Ų6581.5 Ų81.530%0.30440%0.401SS..G310 helixtrans-68.6-18.3178.9-66172.8-115.600112.8Y89 G90 L94 D141Y89-E92 HydrophobicContact CD1-CB 4.18Å; Y89-E92 HydrophobicContact CE1-CB 3.83Å; G90-E92 VanDerWaalsContact C-N 3.32Å; G90-E92 PolarHBondContact O-N 3.08Å; E92-L94 PolarHBondContact O-N 2.74Å; E92-D141 PolarHBondContact O-N 2.84Å
93L96.8Very high95.6Very high2 Ų280 Ų801%0.0140%0.398CS..SBendtrans-79105.6175.9-172.763.6000110W80 Y89 P91 R95 V105 P108W80-L93 HydrophobicContact CD2-CD1 4.37Å; W80-L93 HydrophobicContact CD2-CD2 4.31Å; W80-L93 HydrophobicContact CE3-CD1 3.94Å; W80-L93 HydrophobicContact CE3-CD2 3.67Å; W80-L93 HydrophobicContact CE3-CG 4.49Å; W80-L93 HydrophobicContact CH2-CD1 3.84Å; W80-L93 HydrophobicContact CZ2-CD1 4.22Å; W80-L93 HydrophobicContact CZ3-CD1 3.65Å; W80-L93 HydrophobicContact CZ3-CD2 4.04Å; W80-L93 HydrophobicContact CZ3-CG 4.49Å; Y89-L93 HydrophobicContact CD1-CB 3.66Å; Y89-L93 HydrophobicContact CD1-CD1 4.47Å; Y89-L93 HydrophobicContact CE1-CB 4.49Å; Y89-L93 HydrophobicContact CG-CB 4.18Å; P91-L93 PolarHBondContact O-N 2.76Å; L93-R95 HydrophobicContact CG-CG 4.33Å; L93-R95 PolarHBondContact O-N 2.83Å; L93-R95 VanDerWaalsContact O-N 3.13Å; L93-R95 PolarHBondContact O-NH1 3.44Å; L93-V105 HydrophobicContact CD1-CB 3.91Å; L93-V105 HydrophobicContact CD1-CG1 3.94Å; L93-V105 HydrophobicContact CD1-CG2 4.18Å; L93-V105 HydrophobicContact CD2-CG1 3.97Å; L93-V105 HydrophobicContact CG-CB 4.29Å; L93-V105 HydrophobicContact CG-CG1 3.84Å; L93-P108 HydrophobicContact CD1-CG 3.85Å
94L97.8Very high95.8Very high50 Ų5080.8 Ų80.826%0.26240%0.399SS..  trans-72.6108.1177.3-168.383.9000110.4E92 V105 L106 F139 D141E92-L94 PolarHBondContact O-N 2.74Å; L94-V105 VanDerWaalsContact O-CA 3.27Å; L94-V105 WeakPolarHBondContact O-CA 3.45Å; L94-L106 HydrophobicContact CD2-CB 4.41Å; L94-L106 HydrophobicContact CD2-CD1 3.44Å; L94-L106 VanDerWaalsContact CD2-CD1 3.44Å; L94-L106 HydrophobicContact CD2-CG 3.89Å; L94-L106 PolarHBondContact O-N 3.46Å; L94-L106 VanDerWaalsContact O-N 3.1Å; L94-F139 HydrophobicContact CB-CD1 3.64Å; L94-F139 HydrophobicContact CB-CE1 3.7Å; L94-F139 HydrophobicContact CD1-CE1 3.97Å; L94-F139 HydrophobicContact CD1-CZ 4.48Å; L94-F139 HydrophobicContact CD2-CD1 3.96Å; L94-F139 HydrophobicContact CD2-CE1 3.68Å; L94-F139 HydrophobicContact CD2-CZ 3.98Å; L94-F139 HydrophobicContact CG-CD1 4.29Å; L94-F139 HydrophobicContact CG-CE1 3.97Å; L94-D141 HydrophobicContact CD1-CB 4.42Å
95R98Very high96Very high90 Ų9079.4 Ų79.434%0.3439%0.385SS..EExtended strand (participates in β ladder)trans-99.9140.5179.5-61.5167.5-170.786.4-8.8110.3W86 G90 L93 F104 V105W86-R95 HydrophobicContact CH2-CB 4.04Å; W86-R95 HydrophobicContact CH2-CG 3.66Å; W86-R95 HydrophobicContact CZ2-CG 4.19Å; W86-R95 HydrophobicContact CZ3-CG 3.87Å; W86-R95 PolarHBondContact O-NE 3.37Å; W86-R95 PolarHBondContact O-NH2 3.21Å; G90-R95 PolarHBondContact O-NH1 3.3Å; G90-R95 PolarHBondContact O-NH2 3.27Å; L93-R95 HydrophobicContact CG-CG 4.33Å; L93-R95 PolarHBondContact O-N 2.83Å; L93-R95 VanDerWaalsContact O-N 3.13Å; L93-R95 PolarHBondContact O-NH1 3.44Å; R95-F104 WeakPolarHBondContact CA-O 3.42Å; R95-V105 HydrophobicContact CG-CG1 4.1Å
96F98.1Very high96.2Very high75 Ų7580.4 Ų80.433%0.32939%0.392SS..EExtended strand (participates in β ladder)trans-148170.3173.869.4-80.9000110.9V74 F104 L106V74-F96 HydrophobicContact CB-CZ 4.38Å; V74-F96 HydrophobicContact CG1-CE1 4.46Å; V74-F96 HydrophobicContact CG1-CZ 3.67Å; V74-F96 HydrophobicContact CG2-CZ 3.98Å; F96-F104 HydrophobicContact CD1-CB 4.2Å; F96-F104 HydrophobicContact CD2-CB 4.39Å; F96-F104 HydrophobicContact CE1-CB 3.71Å; F96-F104 HydrophobicContact CE2-CB 3.93Å; F96-F104 HydrophobicContact CE2-CD2 4.5Å; F96-F104 HydrophobicContact CE2-CG 4.44Å; F96-F104 HydrophobicContact CZ-CB 3.58Å; F96-F104 HydrophobicContact CZ-CG 4.33Å; F96-F104 PolarHBondContact N-O 3.31Å; F96-F104 PolarHBondContact O-N 3.09Å; F96-F104 VanDerWaalsContact O-O 3.11Å; F96-L106 HydrophobicContact CD1-CG 4.44Å; F96-L106 HydrophobicContact CE1-CD2 3.69Å; F96-L106 HydrophobicContact CE1-CG 4.02Å; F96-L106 HydrophobicContact CZ-CD2 4.23Å
97V98.2Very high96.3Very high97 Ų9777.9 Ų77.959%0.58838%0.382SS*.EExtended strand (participates in β ladder)trans-118.7145.7175.1-650000110.2R102V97-R102 VanDerWaalsContact CA-O 3.29Å; V97-R102 WeakPolarHBondContact CA-O 3.45Å
98D97.7Very high96.5Very high37 Ų3770.2 Ų70.220%0.19835%0.346CS..  trans-79.7-179.4170.680.9-4.6000111.9G100 E101 R102 F104D98-G100 PolarHBondContact O-N 2.73Å; D98-G100 VanDerWaalsContact O-N 3.1Å; D98-G100 VanDerWaalsContact OD1-C 3.28Å; D98-G100 VanDerWaalsContact OD1-CA 3.27Å; D98-G100 WeakPolarHBondContact OD1-CA 3.25Å; D98-G100 PolarHBondContact OD1-N 2.63Å; D98-E101 PolarHBondContact O-N 2.64Å; D98-E101 PolarHBondContact OD1-N 2.73Å; D98-R102 PolarHBondContact N-O 3.09Å; D98-R102 WeakPolarHBondContact OD1-CB 3.31Å; D98-R102 PolarHBondContact OD1-N 3.02Å; D98-R102 IonicContact OD1-NE 3.66Å; D98-R102 IonicContact OD2-CZ 2.99Å; D98-R102 VanDerWaalsContact OD2-CZ 3.23Å; D98-R102 IonicContact OD2-NE 3.23Å; D98-R102 PolarHBondContact OD2-NE 3.41Å; D98-R102 IonicContact OD2-NH2 3.3Å; D98-R102 PolarHBondContact OD2-NH2 3.47Å; D98-F104 HydrophobicContact CB-CD2 4.08Å; D98-F104 HydrophobicContact CB-CE2 3.67Å
99R97.6Very high96.9Very high251 Ų25163.7 Ų63.795%0.94732%0.317SS*.THydrogen-bonded Turntrans-63.2-14178.268.5177-64.5174.42114.9
100G97.7Very high97.3Very high50 Ų5061.6 Ų61.652%0.51531%0.308SS..THydrogen-bonded Turntrans-103.116.1176.500000112.3D98 R102D98-G100 PolarHBondContact O-N 2.73Å; D98-G100 VanDerWaalsContact O-N 3.1Å; D98-G100 VanDerWaalsContact OD1-C 3.28Å; D98-G100 VanDerWaalsContact OD1-CA 3.27Å; D98-G100 WeakPolarHBondContact OD1-CA 3.25Å; D98-G100 PolarHBondContact OD1-N 2.63Å; G100-R102 PolarHBondContact O-N 2.93Å
101E97.1Very high97.5Very high170 Ų17060.7 Ų60.779%0.79430%0.298SS*.  trans60.622.4-178.8-55.4-172.9154.500113.9D98D98-E101 PolarHBondContact O-N 2.64Å; D98-E101 PolarHBondContact OD1-N 2.73Å
102R98.1Very high97.7Very high153 Ų15356 Ų5658%0.57727%0.268SS*.  trans-83.4131.8174.7-65.4178.1-65.4-178.31.3109.7V97 D98 G100 F104V97-R102 VanDerWaalsContact CA-O 3.29Å; V97-R102 WeakPolarHBondContact CA-O 3.45Å; D98-R102 PolarHBondContact N-O 3.09Å; D98-R102 WeakPolarHBondContact OD1-CB 3.31Å; D98-R102 PolarHBondContact OD1-N 3.02Å; D98-R102 IonicContact OD1-NE 3.66Å; D98-R102 IonicContact OD2-CZ 2.99Å; D98-R102 VanDerWaalsContact OD2-CZ 3.23Å; D98-R102 IonicContact OD2-NE 3.23Å; D98-R102 PolarHBondContact OD2-NE 3.41Å; D98-R102 IonicContact OD2-NH2 3.3Å; D98-R102 PolarHBondContact OD2-NH2 3.47Å; G100-R102 PolarHBondContact O-N 2.93Å; R102-F104 HydrophobicContact CB-CE2 3.67Å; R102-F104 HydrophobicContact CB-CZ 4.22Å; R102-F104 WeakPolarHBondContact O-CD2 3.49Å; R102-F104 VanDerWaalsContact O-CE2 3.31Å; R102-F104 WeakPolarHBondContact O-CE2 3.23Å
103P98.3Very high97.9Very high48 Ų4854 Ų5431%0.31226%0.259SS..EExtended strand (participates in β ladder)trans-78137.9-17930.1-33.7000112.3A77 W86A77-P103 HydrophobicContact CB-CB 3.71Å; A77-P103 HydrophobicContact CB-CG 3.71Å; A77-P103 WeakPolarHBondContact CB-O 3.41Å; A77-P103 PolarHBondContact N-O 3.3Å; W86-P103 HydrophobicContact CH2-CB 4.06Å
104F98.6Very high98Very high34 Ų3453.9 Ų53.915%0.14926%0.259CS..EExtended strand (participates in β ladder)trans-137.7166.8177.2-66.2-89.8000110.8V74 Q75 P76 R95 F96 D98 R102V74-F104 HydrophobicContact CG1-CB 4.15Å; V74-F104 HydrophobicContact CG1-CD1 3.66Å; V74-F104 HydrophobicContact CG1-CE1 4.36Å; V74-F104 HydrophobicContact CG1-CG 4.04Å; Q75-F104 CarbonylContact O-C 3.35Å; Q75-F104 VanDerWaalsContact O-CA 3.25Å; Q75-F104 WeakPolarHBondContact O-CA 3.39Å; Q75-F104 WeakPolarHBondContact O-CB 3.34Å; Q75-F104 WeakPolarHBondContact O-CD1 3.26Å; P76-F104 HydrophobicContact CB-CD1 4.38Å; P76-F104 HydrophobicContact CB-CE1 4.21Å; R95-F104 WeakPolarHBondContact CA-O 3.42Å; F96-F104 HydrophobicContact CD1-CB 4.2Å; F96-F104 HydrophobicContact CD2-CB 4.39Å; F96-F104 HydrophobicContact CE1-CB 3.71Å; F96-F104 HydrophobicContact CE2-CB 3.93Å; F96-F104 HydrophobicContact CE2-CD2 4.5Å; F96-F104 HydrophobicContact CE2-CG 4.44Å; F96-F104 HydrophobicContact CZ-CB 3.58Å; F96-F104 HydrophobicContact CZ-CG 4.33Å; F96-F104 PolarHBondContact N-O 3.31Å; F96-F104 PolarHBondContact O-N 3.09Å; F96-F104 VanDerWaalsContact O-O 3.11Å; D98-F104 HydrophobicContact CB-CD2 4.08Å; D98-F104 HydrophobicContact CB-CE2 3.67Å; R102-F104 HydrophobicContact CB-CE2 3.67Å; R102-F104 HydrophobicContact CB-CZ 4.22Å; R102-F104 WeakPolarHBondContact O-CD2 3.49Å; R102-F104 VanDerWaalsContact O-CE2 3.31Å; R102-F104 WeakPolarHBondContact O-CE2 3.23Å
105V98.5Very high98Very high0 Ų051.5 Ų51.50%025%0.246CC..EExtended strand (participates in β ladder)trans-124.9158166.6-53.40000111Q75 W80 W86 L93 L94 R95Q75-V105 HydrophobicContact CB-CG2 3.89Å; Q75-V105 PolarHBondContact N-O 3.06Å; Q75-V105 PolarHBondContact O-N 3.08Å; W80-V105 HydrophobicContact CD2-CG2 4.25Å; W80-V105 HydrophobicContact CG-CG2 4.35Å; W80-V105 HydrophobicContact CZ2-CG2 4.24Å; W86-V105 HydrophobicContact CE3-CG1 3.96Å; W86-V105 HydrophobicContact CH2-CG1 4.49Å; W86-V105 HydrophobicContact CZ3-CG1 3.47Å; W86-V105 VanDerWaalsContact CZ3-CG1 3.47Å; L93-V105 HydrophobicContact CD1-CB 3.91Å; L93-V105 HydrophobicContact CD1-CG1 3.94Å; L93-V105 HydrophobicContact CD1-CG2 4.18Å; L93-V105 HydrophobicContact CD2-CG1 3.97Å; L93-V105 HydrophobicContact CG-CB 4.29Å; L93-V105 HydrophobicContact CG-CG1 3.84Å; L94-V105 VanDerWaalsContact O-CA 3.27Å; L94-V105 WeakPolarHBondContact O-CA 3.45Å; R95-V105 HydrophobicContact CG-CG1 4.1Å
106L98.5Very high98Very high39 Ų3949.3 Ų49.320%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-86.8119156.4-61.9-173.3000108.1V73 V74 L94 F96 P108 F139V73-L106 HydrophobicContact CG1-CB 4.45Å; V73-L106 HydrophobicContact CG1-CD2 4.23Å; V74-L106 HydrophobicContact CG2-CD2 3.99Å; L94-L106 HydrophobicContact CD2-CB 4.41Å; L94-L106 HydrophobicContact CD2-CD1 3.44Å; L94-L106 VanDerWaalsContact CD2-CD1 3.44Å; L94-L106 HydrophobicContact CD2-CG 3.89Å; L94-L106 PolarHBondContact O-N 3.46Å; L94-L106 VanDerWaalsContact O-N 3.1Å; F96-L106 HydrophobicContact CD1-CG 4.44Å; F96-L106 HydrophobicContact CE1-CD2 3.69Å; F96-L106 HydrophobicContact CE1-CG 4.02Å; F96-L106 HydrophobicContact CZ-CD2 4.23Å; L106-P108 WeakPolarHBondContact O-CD 3.12Å; L106-F139 HydrophobicContact CB-CB 3.7Å; L106-F139 HydrophobicContact CB-CG 4.18Å; L106-F139 HydrophobicContact CD1-CB 4.17Å; L106-F139 HydrophobicContact CD1-CD1 4.49Å; L106-F139 HydrophobicContact CD1-CD2 3.95Å; L106-F139 HydrophobicContact CD1-CE2 4.49Å; L106-F139 HydrophobicContact CD1-CG 3.94Å
107G98Very high98Very high0 Ų048.9 Ų48.90%024%0.242CC..  trans-59.9115.3-172.500000113.1V73 T109 K138 F139V73-G107 PolarHBondContact O-N 3.29Å; G107-T109 VanDerWaalsContact C-N 3.27Å; G107-K138 WeakPolarHBondContact O-CA 3.49Å; G107-F139 PolarHBondContact O-N 3.15Å
108P97.3Very high98Very high0 Ų044.3 Ų44.30%021%0.214CC..SBendtrans-78-18.316933.5-35.7000112.1W80 Y89 L93 L106 F139 R140W80-P108 VanDerWaalsContact CH2-CD 3.49Å; W80-P108 HydrophobicContact CH2-CG 3.43Å; W80-P108 VanDerWaalsContact CH2-CG 3.43Å; W80-P108 HydrophobicContact CZ2-CG 4.08Å; W80-P108 HydrophobicContact CZ3-CG 4.24Å; Y89-P108 HydrophobicContact CE1-CB 4.14Å; Y89-P108 HydrophobicContact CE1-CG 3.93Å; Y89-P108 HydrophobicContact CE2-CB 4.47Å; Y89-P108 HydrophobicContact CE2-CG 3.89Å; Y89-P108 WeakPolarHBondContact OH-CB 3.44Å; L93-P108 HydrophobicContact CD1-CG 3.85Å; L106-P108 WeakPolarHBondContact O-CD 3.12Å; P108-F139 VanDerWaalsContact CA-O 3.23Å; P108-F139 WeakPolarHBondContact CA-O 3.49Å; P108-F139 VanDerWaalsContact CB-O 3.26Å; P108-F139 WeakPolarHBondContact CB-O 3.49Å; P108-R140 HydrophobicContact CB-CG 3.58Å
109T97Very high98Very high10 Ų1045.7 Ų45.76%0.06122%0.217CC..  trans-165.2-178.6176.1-176.90000108.1Q75 W80 G107 E111 Y161Q75-T109 PolarHBondContact NE2-O 3.43Å; Q75-T109 VanDerWaalsContact NE2-O 3.12Å; W80-T109 HydrophobicContact CH2-CG2 4.41Å; G107-T109 VanDerWaalsContact C-N 3.27Å; T109-E111 WeakPolarHBondContact CG2-OE2 3.46Å; T109-E111 VanDerWaalsContact OG1-CD 3.23Å; T109-E111 PolarHBondContact OG1-OE1 3.17Å; T109-E111 PolarHBondContact OG1-OE2 2.87Å; T109-E111 VanDerWaalsContact OG1-OE2 3.08Å; T109-Y161 PolarHBondContact OG1-OH 2.83Å
110H98.2Very high97.9Very high0 Ų039 Ų390%020%0.2CC..  trans-136.619.8-166.5-72.272.1000115M71 P72 Q75 E112 V113 I114 Q134 Q136 K138 D159 Y161M71-H110 VanDerWaalsContact CB-CD2 3.48Å; M71-H110 WeakPolarHBondContact CB-CD2 3.35Å; M71-H110 HydrophobicContact CE-CB 3.87Å; M71-H110 HydrophobicContact SD-CB 4.1Å; P72-H110 PolarHBondContact O-NE2 3.33Å; Q75-H110 PolarHBondContact NE2-CD2 2.84Å; Q75-H110 PolarHBondContact NE2-CE1 3.46Å; Q75-H110 PolarHBondContact NE2-NE2 3.43Å; H110-E112 VanDerWaalsContact C-N 3.26Å; H110-E112 PolarHBondContact O-N 2.83Å; H110-V113 HydrophobicContact CB-CB 4.43Å; H110-V113 PolarHBondContact O-N 2.72Å; H110-I114 WeakPolarHBondContact O-CG2 3.24Å; H110-I114 PolarHBondContact O-N 3.02Å; H110-Q134 PolarHBondContact CD2-NE2 2.75Å; H110-Q134 PolarHBondContact CE1-NE2 3.25Å; H110-Q134 PolarHBondContact ND1-NE2 3.32Å; H110-Q134 VanDerWaalsContact ND1-NE2 3.16Å; H110-Q136 PolarHBondContact CE1-NE2 3.02Å; H110-Q136 VanDerWaalsContact CE1-NE2 3.34Å; H110-Q136 PolarHBondContact CE1-OE1 3.24Å; H110-Q136 PolarHBondContact NE2-NE2 2.95Å; H110-K138 VanDerWaalsContact ND1-CE 3.29Å; H110-K138 WeakPolarHBondContact ND1-CE 3.14Å; H110-D159 IonicContact CG-OD2 3.62Å; H110-D159 IonicContact ND1-OD2 3.71Å; H110-Y161 WeakPolarHBondContact CA-OH 3.3Å; H110-Y161 HydrophobicContact CB-CE2 4.13Å; H110-Y161 WeakPolarHBondContact CB-OH 3.21Å; H110-Y161 PolarHBondContact N-OH 3.39Å
111E97.7Very high97.9Very high6 Ų643.1 Ų43.13%0.02821%0.206CC..Hα-helixtrans-54.7-42.6179.2-64.178.9-166.200112.1R85 T109 I114 T115 Y161 L417 Y421R85-E111 IonicContact CZ-OE2 3.77Å; R85-E111 IonicContact NH1-OE2 2.78Å; R85-E111 PolarHBondContact NH1-OE2 2.74Å; R85-E111 IonicContact NH2-OE2 3.38Å; T109-E111 WeakPolarHBondContact CG2-OE2 3.46Å; T109-E111 VanDerWaalsContact OG1-CD 3.23Å; T109-E111 PolarHBondContact OG1-OE1 3.17Å; T109-E111 PolarHBondContact OG1-OE2 2.87Å; T109-E111 VanDerWaalsContact OG1-OE2 3.08Å; E111-I114 WeakPolarHBondContact O-CG2 3.46Å; E111-T115 VanDerWaalsContact O-CB 3.23Å; E111-T115 WeakPolarHBondContact O-CB 3.37Å; E111-T115 PolarHBondContact O-N 3.4Å; E111-T115 VanDerWaalsContact O-N 3.08Å; E111-T115 PolarHBondContact O-OG1 3.06Å; E111-Y161 HydrophobicContact CB-CE1 4.38Å; E111-Y161 HydrophobicContact CG-CD1 4.29Å; E111-Y161 HydrophobicContact CG-CE1 3.77Å; E111-L417 HydrophobicContact CG-CD1 4.16Å; E111-Y421 HydrophobicContact CB-CD1 3.66Å; E111-Y421 HydrophobicContact CB-CD2 4.09Å; E111-Y421 HydrophobicContact CB-CE1 3.42Å; E111-Y421 VanDerWaalsContact CB-CE1 3.42Å; E111-Y421 HydrophobicContact CB-CE2 3.89Å; E111-Y421 HydrophobicContact CB-CG 3.97Å; E111-Y421 HydrophobicContact CG-CD2 4.28Å; E111-Y421 HydrophobicContact CG-CE1 4.04Å; E111-Y421 HydrophobicContact CG-CE2 3.74Å
112E97.9Very high97.9Very high0 Ų035.8 Ų35.80%017%0.172CC..Hα-helixtrans-66.7-45179-66.279.3-177.900112.2L79 S83 R85 H110 T115 D116 L425L79-E112 HydrophobicContact CB-CB 4.09Å; L79-E112 WeakPolarHBondContact O-CG 3.39Å; S83-E112 WeakPolarHBondContact CB-OE1 3.42Å; S83-E112 WeakPolarHBondContact OG-CG 3.3Å; S83-E112 PolarHBondContact OG-OE1 3.37Å; R85-E112 VanDerWaalsContact CD-OE1 3.25Å; R85-E112 WeakPolarHBondContact CD-OE1 3.31Å; R85-E112 IonicContact CZ-OE1 3.77Å; R85-E112 IonicContact NE-OE1 3.14Å; R85-E112 VanDerWaalsContact NH1-CD 3.34Å; R85-E112 IonicContact NH1-OE1 2.76Å; R85-E112 PolarHBondContact NH1-OE1 2.71Å; R85-E112 IonicContact NH1-OE2 3.86Å; R85-E112 PolarHBondContact NH1-OE2 3.13Å; H110-E112 VanDerWaalsContact C-N 3.26Å; H110-E112 PolarHBondContact O-N 2.83Å; E112-T115 PolarHBondContact O-N 3.23Å; E112-D116 WeakPolarHBondContact O-CB 3.43Å; E112-D116 PolarHBondContact O-N 3.34Å; E112-L425 HydrophobicContact CB-CD2 4.44Å
113V98.6Very high97.7Very high21 Ų2132.5 Ų32.513%0.12717%0.172CC..Hα-helixtrans-66.1-43.7-176.2179.80000111.1M71 Q75 L79 H110 D116 L117M71-V113 HydrophobicContact CB-CG1 4.09Å; M71-V113 HydrophobicContact CG-CG1 4.11Å; M71-V113 HydrophobicContact SD-CB 4.1Å; M71-V113 HydrophobicContact SD-CG1 3.75Å; Q75-V113 HydrophobicContact CB-CG2 4.33Å; Q75-V113 VanDerWaalsContact CD-CG2 3.44Å; Q75-V113 HydrophobicContact CG-CG2 3.68Å; L79-V113 HydrophobicContact CD1-CG2 4.29Å; H110-V113 HydrophobicContact CB-CB 4.43Å; H110-V113 PolarHBondContact O-N 2.72Å; V113-D116 PolarHBondContact O-N 3.14Å; V113-L117 PolarHBondContact O-N 3.02Å
114I98.5Very high97.6Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-71.2-34.9178.4-165.364.4000111.2M71 H110 E111 D116 L117 I118 F132 Y161 F163M71-I114 HydrophobicContact CE-CB 4.19Å; M71-I114 HydrophobicContact CE-CD1 4.17Å; M71-I114 HydrophobicContact SD-CB 3.87Å; M71-I114 HydrophobicContact SD-CD1 3.97Å; M71-I114 HydrophobicContact SD-CG1 4.47Å; H110-I114 WeakPolarHBondContact O-CG2 3.24Å; H110-I114 PolarHBondContact O-N 3.02Å; E111-I114 WeakPolarHBondContact O-CG2 3.46Å; I114-D116 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 3.13Å; I114-L117 WeakPolarHBondContact O-CB 3.38Å; I114-L117 PolarHBondContact O-N 3.06Å; I114-I118 WeakPolarHBondContact O-CG1 3.39Å; I114-I118 PolarHBondContact O-N 3.12Å; I114-F132 HydrophobicContact CD1-CB 4.03Å; I114-F132 HydrophobicContact CD1-CD2 4.38Å; I114-F132 HydrophobicContact CD1-CG 4.34Å; I114-Y161 HydrophobicContact CB-CD2 4.1Å; I114-Y161 HydrophobicContact CB-CG 4.33Å; I114-Y161 HydrophobicContact CG1-CD2 4.17Å; I114-Y161 HydrophobicContact CG1-CG 4.39Å; I114-Y161 HydrophobicContact CG2-CD1 3.9Å; I114-Y161 HydrophobicContact CG2-CD2 3.76Å; I114-Y161 HydrophobicContact CG2-CE1 4.41Å; I114-Y161 HydrophobicContact CG2-CE2 4.3Å; I114-Y161 HydrophobicContact CG2-CG 3.55Å; I114-F163 HydrophobicContact CB-CZ 4.45Å; I114-F163 HydrophobicContact CG1-CE2 3.87Å; I114-F163 HydrophobicContact CG1-CZ 3.86Å; I114-F163 HydrophobicContact CG2-CZ 3.96Å
115T98.3Very high97.5Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-66-38.7176.2-580000110.8E111 E112 I118 R119 L425 A427 M441E111-T115 VanDerWaalsContact O-CB 3.23Å; E111-T115 WeakPolarHBondContact O-CB 3.37Å; E111-T115 PolarHBondContact O-N 3.4Å; E111-T115 VanDerWaalsContact O-N 3.08Å; E111-T115 PolarHBondContact O-OG1 3.06Å; E112-T115 PolarHBondContact O-N 3.23Å; T115-I118 PolarHBondContact O-N 2.76Å; T115-R119 PolarHBondContact O-N 3.18Å; T115-L425 HydrophobicContact CG2-CB 3.75Å; T115-L425 HydrophobicContact CG2-CD2 4.16Å; T115-L425 HydrophobicContact CG2-CG 4.39Å; T115-A427 HydrophobicContact CG2-CB 3.59Å; T115-M441 HydrophobicContact CG2-SD 4.49Å; T115-M441 VanDerWaalsContact OG1-CE 3.31Å; T115-M441 WeakPolarHBondContact OG1-CE 3.07Å
116D98.4Very high97.4Very high44 Ų4440.4 Ų40.424%0.23520%0.204CC..Hα-helixtrans-62.8-40.8172.8-177.663.2000112.5L79 E112 V113 I114 I118 R119 N120 L425L79-D116 HydrophobicContact CD1-CB 4.26Å; L79-D116 HydrophobicContact CD2-CB 3.75Å; E112-D116 WeakPolarHBondContact O-CB 3.43Å; E112-D116 PolarHBondContact O-N 3.34Å; V113-D116 PolarHBondContact O-N 3.14Å; I114-D116 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 3.13Å; D116-I118 PolarHBondContact O-N 2.81Å; D116-R119 VanDerWaalsContact O-CG 3.27Å; D116-R119 WeakPolarHBondContact O-CG 3.46Å; D116-R119 IonicContact OD1-CZ 3.57Å; D116-R119 IonicContact OD1-NE 2.76Å; D116-R119 PolarHBondContact OD1-NE 3.22Å; D116-R119 IonicContact OD1-NH2 3.55Å; D116-R119 PolarHBondContact OD1-NH2 3.17Å; D116-N120 PolarHBondContact O-N 2.89Å; D116-N120 PolarHBondContact O-ND2 2.82Å; D116-N120 PolarHBondContact OD1-ND2 3.26Å; D116-L425 HydrophobicContact CB-CD2 4.48Å
117L98.3Very high97.3Very high66 Ų6642.1 Ų42.135%0.34621%0.211SC..Hα-helixtrans-59.9-48.6172.3-177.7154.5000110.6V113 I114 R119 N120 E121V113-L117 PolarHBondContact O-N 3.02Å; I114-L117 WeakPolarHBondContact O-CB 3.38Å; I114-L117 PolarHBondContact O-N 3.06Å; L117-R119 PolarHBondContact O-N 3.29Å; L117-N120 PolarHBondContact O-N 3.28Å; L117-E121 HydrophobicContact CD2-CB 4.44Å; L117-E121 HydrophobicContact CD2-CG 4.16Å; L117-E121 HydrophobicContact CG-CG 4.32Å; L117-E121 WeakPolarHBondContact O-CB 3.34Å; L117-E121 WeakPolarHBondContact O-CG 2.97Å; L117-E121 PolarHBondContact O-N 2.67Å
118I97.9Very high97.3Very high1 Ų143.3 Ų43.31%0.00522%0.217CC..Hα-helixtrans-67.5-40-173.5-67.9-67.4000112.8I114 T115 D116 N120 E121 L122 F132 F163 L439I114-I118 WeakPolarHBondContact O-CG1 3.39Å; I114-I118 PolarHBondContact O-N 3.12Å; T115-I118 PolarHBondContact O-N 2.76Å; D116-I118 PolarHBondContact O-N 2.81Å; I118-N120 PolarHBondContact O-N 3.11Å; I118-E121 PolarHBondContact O-N 3.07Å; I118-L122 HydrophobicContact CD1-CD1 3.89Å; I118-L122 HydrophobicContact CD1-CG 4.09Å; I118-L122 HydrophobicContact CG2-CB 4.32Å; I118-L122 HydrophobicContact CG2-CD1 3.65Å; I118-L122 HydrophobicContact CG2-CG 3.95Å; I118-L122 WeakPolarHBondContact O-CB 3.42Å; I118-L122 PolarHBondContact O-N 2.73Å; I118-F132 HydrophobicContact CD1-CD2 3.95Å; I118-F132 HydrophobicContact CD1-CE2 3.46Å; I118-F132 VanDerWaalsContact CD1-CE2 3.46Å; I118-F132 HydrophobicContact CD1-CZ 4.41Å; I118-F163 HydrophobicContact CB-CD1 4.25Å; I118-F163 HydrophobicContact CB-CE1 3.96Å; I118-F163 HydrophobicContact CB-CZ 4.18Å; I118-F163 HydrophobicContact CD1-CD2 4.01Å; I118-F163 HydrophobicContact CD1-CE2 4.03Å; I118-F163 HydrophobicContact CD1-CG 4.45Å; I118-F163 HydrophobicContact CD1-CZ 4.44Å; I118-F163 HydrophobicContact CG1-CD1 4.11Å; I118-F163 HydrophobicContact CG1-CD2 3.9Å; I118-F163 HydrophobicContact CG1-CE1 3.76Å; I118-F163 HydrophobicContact CG1-CE2 3.56Å; I118-F163 HydrophobicContact CG1-CG 4.18Å; I118-F163 HydrophobicContact CG1-CZ 3.49Å; I118-F163 VanDerWaalsContact CG1-CZ 3.49Å; I118-F163 HydrophobicContact CG2-CD1 3.77Å; I118-F163 HydrophobicContact CG2-CE1 3.99Å; I118-F163 HydrophobicContact CG2-CG 4.16Å; I118-L439 HydrophobicContact CG2-CD1 3.48Å; I118-L439 VanDerWaalsContact CG2-CD1 3.48Å
119R96.8Very high97.3Very high66 Ų6646.7 Ų46.725%0.24924%0.239CC..Hα-helixtrans-64-22.817772.6-178.9177.4179.5-3.4113.2E82 T115 D116 L117 L425 A427E82-R119 IonicContact OE1-CZ 2.72Å; E82-R119 IonicContact OE1-NH1 2.72Å; E82-R119 IonicContact OE1-NH2 2.67Å; E82-R119 PolarHBondContact OE1-NH2 3.28Å; E82-R119 IonicContact OE2-CZ 2.69Å; E82-R119 IonicContact OE2-NH1 2.93Å; E82-R119 PolarHBondContact OE2-NH1 2.9Å; E82-R119 IonicContact OE2-NH2 3.03Å; T115-R119 PolarHBondContact O-N 3.18Å; D116-R119 VanDerWaalsContact O-CG 3.27Å; D116-R119 WeakPolarHBondContact O-CG 3.46Å; D116-R119 IonicContact OD1-CZ 3.57Å; D116-R119 IonicContact OD1-NE 2.76Å; D116-R119 PolarHBondContact OD1-NE 3.22Å; D116-R119 IonicContact OD1-NH2 3.55Å; D116-R119 PolarHBondContact OD1-NH2 3.17Å; L117-R119 PolarHBondContact O-N 3.29Å; R119-L425 WeakPolarHBondContact CD-O 3.42Å; R119-L425 PolarHBondContact NH1-O 2.77Å; R119-A427 HydrophobicContact CB-CB 3.89Å
120N97.4Very high97.4Very high111 Ų11148 Ų4859%0.59425%0.245SC*.Hα-helixtrans-94.4-28.7179.7-72.3-59.3000112.9D116 L117 I118D116-N120 PolarHBondContact O-N 2.89Å; D116-N120 PolarHBondContact O-ND2 2.82Å; D116-N120 PolarHBondContact OD1-ND2 3.26Å; L117-N120 PolarHBondContact O-N 3.28Å; I118-N120 PolarHBondContact O-N 3.11Å
121E97.3Very high97.4Very high137 Ų13748.6 Ų48.664%0.6425%0.249SC*.Hα-helixtrans-102.3-25.7-173.5-63.5-61.4151.900114.3L117 I118L117-E121 HydrophobicContact CD2-CB 4.44Å; L117-E121 HydrophobicContact CD2-CG 4.16Å; L117-E121 HydrophobicContact CG-CG 4.32Å; L117-E121 WeakPolarHBondContact O-CB 3.34Å; L117-E121 WeakPolarHBondContact O-CG 2.97Å; L117-E121 PolarHBondContact O-N 2.67Å; I118-E121 PolarHBondContact O-N 3.07Å
122L95.6Very high97.4Very high16 Ų1649.7 Ų49.78%0.08425%0.253CS..  trans-101.8136.7179.4-55.4-167.3000111.3I118 Q127 L128 L130 V429I118-L122 HydrophobicContact CD1-CD1 3.89Å; I118-L122 HydrophobicContact CD1-CG 4.09Å; I118-L122 HydrophobicContact CG2-CB 4.32Å; I118-L122 HydrophobicContact CG2-CD1 3.65Å; I118-L122 HydrophobicContact CG2-CG 3.95Å; I118-L122 WeakPolarHBondContact O-CB 3.42Å; I118-L122 PolarHBondContact O-N 2.73Å; L122-Q127 HydrophobicContact CD2-CB 4.07Å; L122-L128 HydrophobicContact CD1-CD2 3.58Å; L122-L128 HydrophobicContact CD1-CG 4.31Å; L122-L130 HydrophobicContact CD1-CD1 3.77Å; L122-L130 HydrophobicContact CD2-CD1 3.7Å; L122-L130 HydrophobicContact CG-CD1 4.38Å; L122-V429 HydrophobicContact CB-CG1 3.95Å
123S94.9Very high97.5Very high84 Ų8449.7 Ų49.759%0.58725%0.253SS*.  trans-132.6-14.8178.8590000114Q430S123-Q430 WeakPolarHBondContact O-CB 3.12Å; S123-Q430 PolarHBondContact O-N 3.45Å
124S96.5Very high97.5Very high26 Ų2648.7 Ų48.718%0.18225%0.247CC..BIsolated β-bridgetrans-135.7143.9-175.9-177.40000112.5K126 Q127S124-K126 PolarHBondContact O-N 2.92Å; S124-K126 PolarHBondContact OG-N 3Å; S124-Q127 VanDerWaalsContact N-OE1 3.16Å; S124-Q127 PolarHBondContact O-N 2.93Å; S124-Q127 VanDerWaalsContact O-N 3.09Å
125Y95.7Very high97.5Very high63 Ų6349.9 Ų49.925%0.24725%0.253CS..G310 helixtrans-52.4-2717279.5-88.5000113.6Q127 L128 Q430 E432Y125-Q127 PolarHBondContact O-N 3.46Å; Y125-Q127 VanDerWaalsContact O-N 3.16Å; Y125-L128 PolarHBondContact O-N 3.48Å; Y125-Q430 WeakPolarHBondContact CD1-O 3.26Å; Y125-Q430 PolarHBondContact N-O 3.08Å; Y125-E432 HydrophobicContact CD1-CG 4.03Å; Y125-E432 HydrophobicContact CD2-CG 3.61Å; Y125-E432 HydrophobicContact CE1-CB 4.35Å; Y125-E432 HydrophobicContact CE1-CG 3.66Å; Y125-E432 HydrophobicContact CE2-CG 3.17Å; Y125-E432 WeakPolarHBondContact CE2-OE1 3.33Å; Y125-E432 HydrophobicContact CG-CG 4.01Å
126K96.7Very high97.5Very high158 Ų15850.7 Ų50.769%0.68726%0.257SS*.G310 helixtrans-65.6-15.7-179.5-64.5-178.3180177.80113.9S124 L128S124-K126 PolarHBondContact O-N 2.92Å; S124-K126 PolarHBondContact OG-N 3Å; K126-L128 VanDerWaalsContact C-N 3.31Å
127Q97Very high97.5Very high76 Ų7651.1 Ų51.136%0.35526%0.261SS..G310 helixtrans-86.2-4.4177.2-61.6172.9-9600112.1L122 S124 Y125 L130L122-Q127 HydrophobicContact CD2-CB 4.07Å; S124-Q127 VanDerWaalsContact N-OE1 3.16Å; S124-Q127 PolarHBondContact O-N 2.93Å; S124-Q127 VanDerWaalsContact O-N 3.09Å; Y125-Q127 PolarHBondContact O-N 3.46Å; Y125-Q127 VanDerWaalsContact O-N 3.16Å; Q127-L130 WeakPolarHBondContact O-CD1 3.37Å; Q127-L130 WeakPolarHBondContact O-CG 3.33Å
128L97.4Very high97.5Very high24 Ų2448 Ų4813%0.12625%0.245CC..  trans-113154-171.3-64.5168.7000111.6L122 Y125 K126 L130 F163 T165 V429 L439L122-L128 HydrophobicContact CD1-CD2 3.58Å; L122-L128 HydrophobicContact CD1-CG 4.31Å; Y125-L128 PolarHBondContact O-N 3.48Å; K126-L128 VanDerWaalsContact C-N 3.31Å; L128-L130 HydrophobicContact CD2-CB 4.44Å; L128-L130 HydrophobicContact CD2-CD1 4.47Å; L128-L130 HydrophobicContact CD2-CG 4.47Å; L128-F163 HydrophobicContact CD2-CB 3.77Å; L128-F163 WeakPolarHBondContact CD2-O 3.43Å; L128-T165 HydrophobicContact CB-CG2 4.21Å; L128-T165 HydrophobicContact CD1-CG2 3.59Å; L128-V429 HydrophobicContact CD1-CG1 4.29Å; L128-V429 HydrophobicContact CD1-CG2 4.01Å; L128-L439 HydrophobicContact CD1-CD2 3.39Å
129P97.8Very high97.6Very high71 Ų7148.8 Ų48.846%0.46125%0.248SC..  cis-76154.41.631.9-35.6000113.7F163P129-F163 WeakPolarHBondContact CA-O 3.05Å
130L98.1Very high97.6Very high38 Ų3848.5 Ų48.520%0.19925%0.247CC..EExtended strand (participates in β ladder)trans-128.4145.2169.3-72.8167.5000109.8I67 L122 Q127 L128 F132 S162 F163I67-L130 HydrophobicContact CD1-CD2 4.29Å; L122-L130 HydrophobicContact CD1-CD1 3.77Å; L122-L130 HydrophobicContact CD2-CD1 3.7Å; L122-L130 HydrophobicContact CG-CD1 4.38Å; Q127-L130 WeakPolarHBondContact O-CD1 3.37Å; Q127-L130 WeakPolarHBondContact O-CG 3.33Å; L128-L130 HydrophobicContact CD2-CB 4.44Å; L128-L130 HydrophobicContact CD2-CD1 4.47Å; L128-L130 HydrophobicContact CD2-CG 4.47Å; L130-F132 HydrophobicContact CB-CD2 4.33Å; L130-F132 HydrophobicContact CB-CE2 3.66Å; L130-F132 HydrophobicContact CB-CZ 4.18Å; L130-F132 HydrophobicContact CD1-CE2 3.91Å; L130-F132 HydrophobicContact CD1-CZ 3.96Å; L130-F132 HydrophobicContact CD2-CZ 4.33Å; L130-F132 HydrophobicContact CG-CE2 4.27Å; L130-F132 HydrophobicContact CG-CZ 4.38Å; L130-S162 CarbonylContact O-C 3.5Å; L130-S162 WeakPolarHBondContact O-CA 3.37Å; L130-S162 WeakPolarHBondContact O-CB 3.32Å; L130-F163 PolarHBondContact N-O 3.3Å; L130-F163 PolarHBondContact O-N 2.67Å
131N98.6Very high97.6Very high13 Ų1345.7 Ų45.77%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-133.3110.3176.5-174.27.4000109A66 I67 T173 M177A66-N131 CarbonylContact C-O 3.52Å; A66-N131 WeakPolarHBondContact CA-O 3.43Å; A66-N131 HydrophobicContact CB-CB 4.34Å; I67-N131 PolarHBondContact N-O 3.31Å; N131-T173 HydrophobicContact CB-CG2 4.41Å; N131-M177 PolarHBondContact ND2-SD 3.32Å
132F98.8Very high97.4Very high28 Ų2840.3 Ų40.312%0.12321%0.207CC..EExtended strand (participates in β ladder)trans-105.2144.4179.7-65.2-74.7000110I67 V69 I114 I118 L130 A160 Y161 F163I67-F132 HydrophobicContact CB-CD1 3.99Å; I67-F132 HydrophobicContact CB-CE1 4.23Å; I67-F132 HydrophobicContact CD1-CE1 4.24Å; I67-F132 HydrophobicContact CG2-CD1 4.26Å; I67-F132 HydrophobicContact CG2-CE1 4.29Å; I67-F132 CarbonylContact O-C 3.59Å; I67-F132 WeakPolarHBondContact O-CA 3.47Å; V69-F132 HydrophobicContact CG1-CD1 3.72Å; V69-F132 HydrophobicContact CG1-CE1 4.39Å; V69-F132 HydrophobicContact CG1-CG 4.47Å; V69-F132 HydrophobicContact CG2-CB 4.24Å; I114-F132 HydrophobicContact CD1-CB 4.03Å; I114-F132 HydrophobicContact CD1-CD2 4.38Å; I114-F132 HydrophobicContact CD1-CG 4.34Å; I118-F132 HydrophobicContact CD1-CD2 3.95Å; I118-F132 HydrophobicContact CD1-CE2 3.46Å; I118-F132 VanDerWaalsContact CD1-CE2 3.46Å; I118-F132 HydrophobicContact CD1-CZ 4.41Å; L130-F132 HydrophobicContact CB-CD2 4.33Å; L130-F132 HydrophobicContact CB-CE2 3.66Å; L130-F132 HydrophobicContact CB-CZ 4.18Å; L130-F132 HydrophobicContact CD1-CE2 3.91Å; L130-F132 HydrophobicContact CD1-CZ 3.96Å; L130-F132 HydrophobicContact CD2-CZ 4.33Å; L130-F132 HydrophobicContact CG-CE2 4.27Å; L130-F132 HydrophobicContact CG-CZ 4.38Å; F132-A160 CarbonylContact O-C 3.5Å; F132-A160 WeakPolarHBondContact O-CA 3.38Å; F132-A160 WeakPolarHBondContact O-CB 3.24Å; F132-Y161 PolarHBondContact N-O 2.85Å; F132-Y161 PolarHBondContact O-N 3.32Å; F132-F163 HydrophobicContact CD2-CD2 4.42Å; F132-F163 HydrophobicContact CD2-CE2 4.33Å
133Y98.9Very high97.1Very high0 Ų044.9 Ų44.90%024%0.235CC..EExtended strand (participates in β ladder)trans-140.1161.6172.180.1-80.6000112.4R58 M61 N62 A66 I67 E68 V69 I135 K158 D159R58-Y133 WeakPolarHBondContact CG-OH 3.28Å; R58-Y133 PolarHBondContact O-OH 3.13Å; M61-Y133 HydrophobicContact CB-CD1 4.05Å; M61-Y133 HydrophobicContact CB-CD2 4.34Å; M61-Y133 HydrophobicContact CB-CE1 3.67Å; M61-Y133 HydrophobicContact CB-CE2 4Å; M61-Y133 HydrophobicContact CB-CG 4.34Å; M61-Y133 HydrophobicContact CE-CD1 4.19Å; M61-Y133 HydrophobicContact CE-CG 4.04Å; M61-Y133 HydrophobicContact CG-CD2 4.19Å; M61-Y133 HydrophobicContact CG-CE2 4.13Å; M61-Y133 HydrophobicContact CG-CG 4.39Å; N62-Y133 WeakPolarHBondContact OD1-CE1 3.4Å; N62-Y133 PolarHBondContact OD1-OH 3.25Å; A66-Y133 HydrophobicContact CB-CD1 3.69Å; A66-Y133 HydrophobicContact CB-CE1 4.16Å; I67-Y133 PolarHBondContact O-N 2.8Å; E68-Y133 CarbonylContact C-O 3.58Å; E68-Y133 VanDerWaalsContact CA-O 3.26Å; E68-Y133 WeakPolarHBondContact CA-O 3.42Å; E68-Y133 HydrophobicContact CB-CD1 4.32Å; E68-Y133 HydrophobicContact CB-CE1 3.69Å; E68-Y133 HydrophobicContact CB-CE2 4.12Å; E68-Y133 HydrophobicContact CG-CD2 4.36Å; E68-Y133 HydrophobicContact CG-CE1 4.32Å; E68-Y133 HydrophobicContact CG-CE2 3.82Å; V69-Y133 WeakPolarHBondContact CG2-O 3.5Å; V69-Y133 PolarHBondContact N-O 3.37Å; Y133-I135 HydrophobicContact CD2-CG1 4.44Å; Y133-I135 HydrophobicContact CE2-CD1 4.45Å; Y133-I135 HydrophobicContact CE2-CG1 4.26Å; Y133-K158 HydrophobicContact CD2-CD 4.12Å; Y133-K158 HydrophobicContact CD2-CG 3.91Å; Y133-D159 CarbonylContact C-O 3.48Å; Y133-D159 VanDerWaalsContact CA-O 3.23Å; Y133-D159 WeakPolarHBondContact CA-O 3.4Å
134Q98.8Very high96.9Very high1 Ų149.4 Ų49.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-136.7159.7169.266.6177.2-18.400109.9V69 M71 H110 Q136 K158 D159V69-Q134 WeakPolarHBondContact O-CA 3.25Å; V69-Q134 WeakPolarHBondContact O-CB 3.17Å; M71-Q134 HydrophobicContact CE-CG 4.1Å; H110-Q134 PolarHBondContact CD2-NE2 2.75Å; H110-Q134 PolarHBondContact CE1-NE2 3.25Å; H110-Q134 PolarHBondContact ND1-NE2 3.32Å; H110-Q134 VanDerWaalsContact ND1-NE2 3.16Å; Q134-Q136 HydrophobicContact CB-CB 4.31Å; Q134-Q136 HydrophobicContact CG-CB 3.87Å; Q134-K158 WeakPolarHBondContact O-CA 3.14Å; Q134-D159 WeakPolarHBondContact CG-OD1 3.29Å; Q134-D159 PolarHBondContact N-O 3.21Å; Q134-D159 PolarHBondContact NE2-OD1 3.35Å; Q134-D159 PolarHBondContact NE2-OD2 3.08Å; Q134-D159 PolarHBondContact O-N 2.94Å; Q134-D159 VanDerWaalsContact O-N 3.07Å
135I98.8Very high96.7Very high25 Ų2549.6 Ų49.613%0.12824%0.241CC..EExtended strand (participates in β ladder)trans-116.499.3166-62.9-176.5000106.8E54 V57 R58 Y133 L156 K158E54-I135 HydrophobicContact CB-CD1 4.25Å; E54-I135 HydrophobicContact CG-CG2 3.85Å; V57-I135 HydrophobicContact CB-CD1 4.46Å; V57-I135 HydrophobicContact CG1-CD1 4.2Å; R58-I135 HydrophobicContact CB-CD1 4.38Å; Y133-I135 HydrophobicContact CD2-CG1 4.44Å; Y133-I135 HydrophobicContact CE2-CD1 4.45Å; Y133-I135 HydrophobicContact CE2-CG1 4.26Å; I135-L156 HydrophobicContact CG2-CD1 4.16Å; I135-L156 HydrophobicContact CG2-CD2 3.75Å; I135-L156 HydrophobicContact CG2-CG 3.92Å; I135-K158 HydrophobicContact CD1-CG 4.48Å; I135-K158 HydrophobicContact CG1-CB 3.97Å; I135-K158 HydrophobicContact CG1-CG 3.83Å
136Q98.6Very high96.5Very high16 Ų1650.3 Ų50.38%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-147.9149-162.9-171.3-97.52800112.5M71 P72 V73 H110 Q134 K138 M157M71-Q136 PolarHBondContact O-NE2 3.07Å; P72-Q136 PolarHBondContact O-NE2 3.47Å; V73-Q136 HydrophobicContact CG2-CG 4.49Å; H110-Q136 PolarHBondContact CE1-NE2 3.02Å; H110-Q136 VanDerWaalsContact CE1-NE2 3.34Å; H110-Q136 PolarHBondContact CE1-OE1 3.24Å; H110-Q136 PolarHBondContact NE2-NE2 2.95Å; Q134-Q136 HydrophobicContact CB-CB 4.31Å; Q134-Q136 HydrophobicContact CG-CB 3.87Å; Q136-K138 PolarHBondContact O-N 3.09Å; Q136-K138 PolarHBondContact O-NZ 3.45Å; Q136-M157 PolarHBondContact N-O 3.41Å; Q136-M157 PolarHBondContact O-N 3Å
137T98.5Very high96.3Very high53 Ų5344.7 Ų44.733%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-70.1122.6-177-56.80000112.1E154 F155T137-E154 HydrophobicContact CG2-CG 3.36Å; T137-F155 WeakPolarHBondContact CA-O 3.44Å
138K98.4Very high96.1Very high0 Ų041 Ų410%020%0.201CC..EExtended strand (participates in β ladder)trans-102.3157.7175-55.2-61.1-178.7-81.30110.9G107 H110 Q136 E154 F155 M157 D159G107-K138 WeakPolarHBondContact O-CA 3.49Å; H110-K138 VanDerWaalsContact ND1-CE 3.29Å; H110-K138 WeakPolarHBondContact ND1-CE 3.14Å; Q136-K138 PolarHBondContact O-N 3.09Å; Q136-K138 PolarHBondContact O-NZ 3.45Å; K138-E154 WeakPolarHBondContact O-CA 3.13Å; K138-F155 HydrophobicContact CB-CD2 4.07Å; K138-F155 HydrophobicContact CB-CE1 4.2Å; K138-F155 HydrophobicContact CB-CE2 3.53Å; K138-F155 HydrophobicContact CB-CZ 3.59Å; K138-F155 HydrophobicContact CG-CE2 3.91Å; K138-F155 HydrophobicContact CG-CZ 4.36Å; K138-F155 PolarHBondContact N-O 2.81Å; K138-F155 PolarHBondContact O-N 2.68Å; K138-F155 VanDerWaalsContact O-N 3.14Å; K138-M157 HydrophobicContact CG-CB 3.68Å; K138-M157 HydrophobicContact CG-SD 4.24Å; K138-D159 VanDerWaalsContact CE-OD1 3.25Å; K138-D159 WeakPolarHBondContact CE-OD1 3.21Å; K138-D159 IonicContact NZ-OD1 2.78Å; K138-D159 PolarHBondContact NZ-OD1 3.28Å; K138-D159 IonicContact NZ-OD2 3.12Å
139F98.5Very high96Very high18 Ų1840.1 Ų40.18%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-129.3123172.6-163.8-77.5000111L39 L94 L106 G107 P108 D141 R153 E154L39-F139 HydrophobicContact CD2-CE2 4.19Å; L94-F139 HydrophobicContact CB-CD1 3.64Å; L94-F139 HydrophobicContact CB-CE1 3.7Å; L94-F139 HydrophobicContact CD1-CE1 3.97Å; L94-F139 HydrophobicContact CD1-CZ 4.48Å; L94-F139 HydrophobicContact CD2-CD1 3.96Å; L94-F139 HydrophobicContact CD2-CE1 3.68Å; L94-F139 HydrophobicContact CD2-CZ 3.98Å; L94-F139 HydrophobicContact CG-CD1 4.29Å; L94-F139 HydrophobicContact CG-CE1 3.97Å; L106-F139 HydrophobicContact CB-CB 3.7Å; L106-F139 HydrophobicContact CB-CG 4.18Å; L106-F139 HydrophobicContact CD1-CB 4.17Å; L106-F139 HydrophobicContact CD1-CD1 4.49Å; L106-F139 HydrophobicContact CD1-CD2 3.95Å; L106-F139 HydrophobicContact CD1-CE2 4.49Å; L106-F139 HydrophobicContact CD1-CG 3.94Å; G107-F139 PolarHBondContact O-N 3.15Å; P108-F139 VanDerWaalsContact CA-O 3.23Å; P108-F139 WeakPolarHBondContact CA-O 3.49Å; P108-F139 VanDerWaalsContact CB-O 3.26Å; P108-F139 WeakPolarHBondContact CB-O 3.49Å; F139-D141 HydrophobicContact CE1-CB 4.02Å; F139-R153 CarbonylContact C-O 3.55Å; F139-R153 VanDerWaalsContact CA-O 3.27Å; F139-R153 WeakPolarHBondContact CA-O 3.33Å; F139-R153 HydrophobicContact CE2-CB 4.4Å; F139-R153 HydrophobicContact CZ-CB 4.17Å; F139-E154 HydrophobicContact CD2-CB 4.28Å
140R97.9Very high95.8Very high60 Ų6037.3 Ų37.323%0.22618%0.178CC..  trans-125.8124.2169-65.7178.1-174.2174.32.1108.1P108 E142 R153 F155P108-R140 HydrophobicContact CB-CG 3.58Å; R140-E142 HydrophobicContact CB-CG 4.46Å; R140-E142 PolarHBondContact O-N 2.8Å; R140-R153 PolarHBondContact N-O 2.81Å; R140-R153 WeakPolarHBondContact O-CA 3.43Å; R140-R153 VanDerWaalsContact O-CB 3.24Å; R140-R153 WeakPolarHBondContact O-CB 2.93Å; R140-R153 WeakPolarHBondContact O-CG 3.47Å; R140-F155 HydrophobicContact CB-CE1 4.09Å; R140-F155 HydrophobicContact CG-CE1 3.83Å; R140-F155 HydrophobicContact CG-CZ 3.95Å
141D96.7Very high95.5Very high52 Ų5238.8 Ų38.828%0.27818%0.18SC..  trans-79.563.4178.7-154.417.5000110.8E92 L94 F139 V143 R153E92-D141 PolarHBondContact O-N 2.84Å; L94-D141 HydrophobicContact CD1-CB 4.42Å; F139-D141 HydrophobicContact CE1-CB 4.02Å; D141-V143 PolarHBondContact O-N 3Å; D141-R153 WeakPolarHBondContact OD1-CD 3.36Å; D141-R153 IonicContact OD1-CZ 3.41Å; D141-R153 IonicContact OD1-NE 3.37Å; D141-R153 IonicContact OD1-NH1 2.72Å; D141-R153 PolarHBondContact OD1-NH1 3.09Å
142E93.2Very high95.4Very high24 Ų2438.5 Ų38.511%0.11218%0.179CC..  trans-49.4126.1179.7-80-76.9172.100110.9R140 R144 P145 R151 R153R140-E142 HydrophobicContact CB-CG 4.46Å; R140-E142 PolarHBondContact O-N 2.8Å; E142-R144 PolarHBondContact O-N 2.94Å; E142-P145 HydrophobicContact CB-CG 4.15Å; E142-P145 VanDerWaalsContact O-CD 3.23Å; E142-P145 WeakPolarHBondContact O-CD 3.03Å; E142-P145 WeakPolarHBondContact O-CG 2.93Å; E142-R151 HydrophobicContact CG-CG 4.3Å; E142-R151 IonicContact OE1-NE 2.69Å; E142-R151 IonicContact OE1-NH2 3.16Å; E142-R151 IonicContact OE2-CZ 2.72Å; E142-R151 IonicContact OE2-NE 3.58Å; E142-R151 PolarHBondContact OE2-NE 3.21Å; E142-R151 IonicContact OE2-NH2 2.91Å; E142-R151 PolarHBondContact OE2-NH2 2.97Å; E142-R153 HydrophobicContact CB-CG 4.23Å
143V90.3Very high95.3Very high112 Ų11239.7 Ų39.768%0.67918%0.183SC*.SBendtrans-59.2-35-177.1179.70000111.4D141D141-V143 PolarHBondContact O-N 3Å
144R90.3Very high95.3Very high179 Ų17944.3 Ų44.368%0.67521%0.205SC*.SBendtrans-136.882.7177.5-75.9-174.4-90.2170.5-6.4110.5E142 R146E142-R144 PolarHBondContact O-N 2.94Å; R144-R146 PolarHBondContact O-N 3.44Å
145P91.4Very high95.3Very high31 Ų3145.4 Ų45.420%0.20121%0.209CC..  trans-63.8122.8174.3-15.731000109.1E142 R151 R153E142-P145 HydrophobicContact CB-CG 4.15Å; E142-P145 VanDerWaalsContact O-CD 3.23Å; E142-P145 WeakPolarHBondContact O-CD 3.03Å; E142-P145 WeakPolarHBondContact O-CG 2.93Å; P145-R151 CarbonylContact C-O 3.58Å; P145-R151 VanDerWaalsContact CA-O 3.27Å; P145-R151 WeakPolarHBondContact CA-O 3.47Å; P145-R153 HydrophobicContact CB-CG 4.28Å; P145-R153 HydrophobicContact CG-CG 3.65Å
146R90.8Very high95.3Very high78 Ų7845.1 Ų45.129%0.29421%0.208SC..BIsolated β-bridgetrans-145168.6-174.160.8178.3178.3-104.411.1110.8R144 G148 R151 E218R144-R146 PolarHBondContact O-N 3.44Å; R146-G148 VanDerWaalsContact C-N 3.29Å; R146-G148 PolarHBondContact O-N 2.67Å; R146-R151 HydrophobicContact CG-CB 4.46Å; R146-R151 PolarHBondContact N-O 3.17Å; R146-R151 VanDerWaalsContact N-O 3.12Å; R146-R151 WeakPolarHBondContact O-CB 3.36Å; R146-R151 PolarHBondContact O-N 2.92Å; R146-E218 IonicContact CZ-OE1 2.83Å; R146-E218 VanDerWaalsContact CZ-OE1 3.23Å; R146-E218 IonicContact NE-OE1 3.63Å; R146-E218 PolarHBondContact NE-OE1 3.18Å; R146-E218 IonicContact NH2-OE1 2.67Å; R146-E218 PolarHBondContact NH2-OE1 2.73Å
147F92.7Very high95.3Very high39 Ų3945.5 Ų45.517%0.17121%0.21CC..THydrogen-bonded Turntrans60.834.6173.4-49.4-30.3000114.6V20 V149 M150 E218V20-F147 HydrophobicContact CG1-CB 4.22Å; V20-F147 HydrophobicContact CG1-CD1 3.48Å; V20-F147 VanDerWaalsContact CG1-CD1 3.48Å; V20-F147 HydrophobicContact CG1-CE1 3.96Å; V20-F147 HydrophobicContact CG1-CG 3.88Å; V20-F147 HydrophobicContact CG2-CB 3.83Å; V20-F147 HydrophobicContact CG2-CD1 4.31Å; V20-F147 HydrophobicContact CG2-CG 4.39Å; F147-V149 PolarHBondContact O-N 3.04Å; F147-M150 HydrophobicContact CB-CB 4.2Å; F147-M150 HydrophobicContact CB-CE 3.76Å; F147-M150 WeakPolarHBondContact O-CB 3.47Å; F147-M150 PolarHBondContact O-N 3.13Å; F147-E218 HydrophobicContact CD2-CG 4.47Å; F147-E218 HydrophobicContact CE2-CG 4.04Å; F147-E218 WeakPolarHBondContact CE2-OE1 3.39Å
148G93.9Very high95.3Very high0 Ų043 Ų430%019%0.194CC..THydrogen-bonded Turntrans69.4-126.717600000112.5H23 Y40 R146 M150H23-G148 WeakPolarHBondContact CD2-CA 3.39Å; H23-G148 VanDerWaalsContact CG-CA 3.45Å; Y40-G148 VanDerWaalsContact CE2-O 3.25Å; Y40-G148 WeakPolarHBondContact CE2-O 3.48Å; Y40-G148 WeakPolarHBondContact OH-CA 3.31Å; R146-G148 VanDerWaalsContact C-N 3.29Å; R146-G148 PolarHBondContact O-N 2.67Å; G148-M150 VanDerWaalsContact C-N 3.3Å
149V94.9Very high95.3Very high4 Ų443.1 Ų43.12%0.02420%0.195CC..THydrogen-bonded Turntrans-83.8-2.4178.8-57.10000113.3M26 I32 Y40 W42 F147 A453M26-V149 HydrophobicContact CE-CG1 4.35Å; M26-V149 HydrophobicContact CE-CG2 3.77Å; M26-V149 HydrophobicContact SD-CG2 3.8Å; I32-V149 HydrophobicContact CD1-CG1 3.83Å; I32-V149 HydrophobicContact CG2-CG1 4.38Å; Y40-V149 HydrophobicContact CD2-CG1 4.1Å; Y40-V149 HydrophobicContact CG-CG1 4.2Å; W42-V149 HydrophobicContact CZ2-CB 4.29Å; W42-V149 HydrophobicContact CZ2-CG1 3.89Å; W42-V149 HydrophobicContact CZ2-CG2 4.34Å; F147-V149 PolarHBondContact O-N 3.04Å; V149-A453 HydrophobicContact CG2-CB 3.73Å
150M93.6Very high95.3Very high13 Ų1342.3 Ų42.36%0.06419%0.192CC..THydrogen-bonded Turntrans-71.1-38.9177-67.3-164.7-70.900111.7V20 F147 G148 I409 R450 A453 E457V20-M150 HydrophobicContact CB-CE 4.13Å; V20-M150 HydrophobicContact CG1-CE 4.29Å; V20-M150 HydrophobicContact CG2-CE 3.62Å; F147-M150 HydrophobicContact CB-CB 4.2Å; F147-M150 HydrophobicContact CB-CE 3.76Å; F147-M150 WeakPolarHBondContact O-CB 3.47Å; F147-M150 PolarHBondContact O-N 3.13Å; G148-M150 VanDerWaalsContact C-N 3.3Å; M150-I409 HydrophobicContact SD-CD1 3.82Å; M150-I409 HydrophobicContact SD-CG1 4.46Å; M150-I409 HydrophobicContact SD-CG2 4.3Å; M150-R450 HydrophobicContact CB-CG 4.39Å; M150-R450 HydrophobicContact CG-CG 4.35Å; M150-R450 PolarHBondContact O-NE 2.94Å; M150-R450 PolarHBondContact O-NH2 2.92Å; M150-A453 HydrophobicContact CG-CB 3.43Å; M150-A453 VanDerWaalsContact CG-CB 3.43Å; M150-A453 HydrophobicContact SD-CB 4.07Å; M150-E457 HydrophobicContact CE-CG 4.24Å; M150-E457 HydrophobicContact SD-CG 4.18Å
151R92.8Very high95.3Very high69 Ų6939.5 Ų39.526%0.2618%0.181SC..BIsolated β-bridgetrans-134.865.7176.7-163.1171.4-176.5147.16.5110.8E142 P145 R146 E218E142-R151 HydrophobicContact CG-CG 4.3Å; E142-R151 IonicContact OE1-NE 2.69Å; E142-R151 IonicContact OE1-NH2 3.16Å; E142-R151 IonicContact OE2-CZ 2.72Å; E142-R151 IonicContact OE2-NE 3.58Å; E142-R151 PolarHBondContact OE2-NE 3.21Å; E142-R151 IonicContact OE2-NH2 2.91Å; E142-R151 PolarHBondContact OE2-NH2 2.97Å; P145-R151 CarbonylContact C-O 3.58Å; P145-R151 VanDerWaalsContact CA-O 3.27Å; P145-R151 WeakPolarHBondContact CA-O 3.47Å; R146-R151 HydrophobicContact CG-CB 4.46Å; R146-R151 PolarHBondContact N-O 3.17Å; R146-R151 VanDerWaalsContact N-O 3.12Å; R146-R151 WeakPolarHBondContact O-CB 3.36Å; R146-R151 PolarHBondContact O-N 2.92Å; R151-E218 IonicContact NH1-OE1 3.29Å; R151-E218 IonicContact NH1-OE2 2.87Å; R151-E218 PolarHBondContact NH1-OE2 3.32Å
152S95.4Very high95.4Very high6 Ų637 Ų374%0.04217%0.168CC..  trans-93.7167.1175.562.50000111.6G38 E154G38-S152 WeakPolarHBondContact O-CB 3.06Å; S152-E154 PolarHBondContact OG-O 3.35Å
153R97.7Very high95.7Very high53 Ų5335.9 Ų35.920%0.216%0.163CC..SBendtrans-83-41.7176.8-67.6-167.8-70.1163.61.8112.4S37 G38 L39 F139 R140 D141 E142 P145S37-R153 PolarHBondContact O-NE 3.35Å; S37-R153 PolarHBondContact O-NH2 2.87Å; G38-R153 PolarHBondContact O-N 3.03Å; L39-R153 HydrophobicContact CD2-CB 4.25Å; F139-R153 CarbonylContact C-O 3.55Å; F139-R153 VanDerWaalsContact CA-O 3.27Å; F139-R153 WeakPolarHBondContact CA-O 3.33Å; F139-R153 HydrophobicContact CE2-CB 4.4Å; F139-R153 HydrophobicContact CZ-CB 4.17Å; R140-R153 PolarHBondContact N-O 2.81Å; R140-R153 WeakPolarHBondContact O-CA 3.43Å; R140-R153 VanDerWaalsContact O-CB 3.24Å; R140-R153 WeakPolarHBondContact O-CB 2.93Å; R140-R153 WeakPolarHBondContact O-CG 3.47Å; D141-R153 WeakPolarHBondContact OD1-CD 3.36Å; D141-R153 IonicContact OD1-CZ 3.41Å; D141-R153 IonicContact OD1-NE 3.37Å; D141-R153 IonicContact OD1-NH1 2.72Å; D141-R153 PolarHBondContact OD1-NH1 3.09Å; E142-R153 HydrophobicContact CB-CG 4.23Å; P145-R153 HydrophobicContact CB-CG 4.28Å; P145-R153 HydrophobicContact CG-CG 3.65Å
154E98.4Very high96Very high98 Ų9830.6 Ų30.646%0.45813%0.13SC..EExtended strand (participates in β ladder)trans-104.4128.9171.3-171.4-179.1107.800108.8G38 L39 T137 K138 F139 S152G38-E154 PolarHBondContact O-N 3.02Å; L39-E154 HydrophobicContact CD2-CB 3.4Å; T137-E154 HydrophobicContact CG2-CG 3.36Å; K138-E154 WeakPolarHBondContact O-CA 3.13Å; F139-E154 HydrophobicContact CD2-CB 4.28Å; S152-E154 PolarHBondContact OG-O 3.35Å
155F98.3Very high96.3Very high23 Ų2323.9 Ų23.910%0.10111%0.109CC..EExtended strand (participates in β ladder)trans-153153.3-177.557.1-89.5000111.5T137 K138 R140 M157 T449T137-F155 WeakPolarHBondContact CA-O 3.44Å; K138-F155 HydrophobicContact CB-CD2 4.07Å; K138-F155 HydrophobicContact CB-CE1 4.2Å; K138-F155 HydrophobicContact CB-CE2 3.53Å; K138-F155 HydrophobicContact CB-CZ 3.59Å; K138-F155 HydrophobicContact CG-CE2 3.91Å; K138-F155 HydrophobicContact CG-CZ 4.36Å; K138-F155 PolarHBondContact N-O 2.81Å; K138-F155 PolarHBondContact O-N 2.68Å; K138-F155 VanDerWaalsContact O-N 3.14Å; R140-F155 HydrophobicContact CB-CE1 4.09Å; R140-F155 HydrophobicContact CG-CE1 3.83Å; R140-F155 HydrophobicContact CG-CZ 3.95Å; F155-M157 HydrophobicContact CD2-CB 4.22Å; F155-M157 HydrophobicContact CD2-CE 4.46Å; F155-M157 HydrophobicContact CE2-CB 4.09Å; F155-M157 HydrophobicContact CE2-CE 3.58Å; F155-M157 HydrophobicContact CE2-SD 4.28Å; F155-M157 HydrophobicContact CZ-CE 4.36Å; F155-T449 WeakPolarHBondContact CB-OG1 3.42Å
156L98.3Very high96.5Very high19 Ų1924.5 Ų24.510%0.09911%0.114CC..EExtended strand (participates in β ladder)trans-86.6129.6172.6-16369.9000109.4L50 E54 I135 V448 T449L50-L156 HydrophobicContact CD1-CD2 4.21Å; L50-L156 HydrophobicContact CD2-CD2 4.26Å; L50-L156 HydrophobicContact CG-CD2 4.27Å; E54-L156 HydrophobicContact CG-CD2 3.79Å; E54-L156 WeakPolarHBondContact OE1-CD2 3.16Å; I135-L156 HydrophobicContact CG2-CD1 4.16Å; I135-L156 HydrophobicContact CG2-CD2 3.75Å; I135-L156 HydrophobicContact CG2-CG 3.92Å; L156-V448 HydrophobicContact CB-CB 4.31Å; L156-V448 HydrophobicContact CD2-CB 4.17Å; L156-V448 HydrophobicContact CD2-CG1 3.83Å; L156-V448 HydrophobicContact CG-CB 4.27Å; L156-V448 HydrophobicContact CG-CG1 4.46Å; L156-V448 PolarHBondContact O-N 3.49Å; L156-T449 HydrophobicContact CB-CG2 3.67Å; L156-T449 PolarHBondContact N-OG1 2.83Å; L156-T449 PolarHBondContact O-N 3.43Å; L156-T449 PolarHBondContact O-OG1 3.49Å
157M98.6Very high96.7Very high24 Ų2424.9 Ų24.912%0.11812%0.12CC..EExtended strand (participates in β ladder)trans-127.1140175.4-176.9172.8-87.800109Q136 K138 F155 D159 I446Q136-M157 PolarHBondContact N-O 3.41Å; Q136-M157 PolarHBondContact O-N 3Å; K138-M157 HydrophobicContact CG-CB 3.68Å; K138-M157 HydrophobicContact CG-SD 4.24Å; F155-M157 HydrophobicContact CD2-CB 4.22Å; F155-M157 HydrophobicContact CD2-CE 4.46Å; F155-M157 HydrophobicContact CE2-CB 4.09Å; F155-M157 HydrophobicContact CE2-CE 3.58Å; F155-M157 HydrophobicContact CE2-SD 4.28Å; F155-M157 HydrophobicContact CZ-CE 4.36Å; M157-D159 HydrophobicContact CG-CB 4.38Å; M157-D159 HydrophobicContact SD-CB 4.5Å; M157-I446 WeakPolarHBondContact CA-O 3.39Å; M157-I446 WeakPolarHBondContact CG-O 3.25Å
158K98.7Very high96.9Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-88.2121.9157.4-175.1-82.4-49.4106.10106.7V57 M61 Y133 Q134 I135 A160 Y181 Y444 G445 I446 V448V57-K158 HydrophobicContact CG1-CB 3.93Å; V57-K158 HydrophobicContact CG1-CD 4.32Å; V57-K158 HydrophobicContact CG1-CG 3.62Å; M61-K158 HydrophobicContact CE-CD 4.25Å; M61-K158 HydrophobicContact CG-CD 4.17Å; M61-K158 HydrophobicContact SD-CD 3.9Å; Y133-K158 HydrophobicContact CD2-CD 4.12Å; Y133-K158 HydrophobicContact CD2-CG 3.91Å; Q134-K158 WeakPolarHBondContact O-CA 3.14Å; I135-K158 HydrophobicContact CD1-CG 4.48Å; I135-K158 HydrophobicContact CG1-CB 3.97Å; I135-K158 HydrophobicContact CG1-CG 3.83Å; K158-A160 HydrophobicContact CD-CB 4.38Å; K158-Y181 WeakPolarHBondContact CE-OH 3.36Å; K158-Y181 PolarHBondContact NZ-OH 2.82Å; K158-Y444 PolarHBondContact NZ-O 3.27Å; K158-G445 CarbonylContact O-C 3.59Å; K158-G445 WeakPolarHBondContact O-CA 3.18Å; K158-I446 HydrophobicContact CB-CB 4.3Å; K158-I446 PolarHBondContact N-O 2.85Å; K158-I446 PolarHBondContact O-N 3.42Å; K158-V448 HydrophobicContact CB-CG2 3.89Å
159D98.5Very high97.1Very high4 Ų430.6 Ų30.62%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-126.6131.8175.553.3-55.3000108.7H110 Y133 Q134 K138 M157 Y161 Y444H110-D159 IonicContact CG-OD2 3.62Å; H110-D159 IonicContact ND1-OD2 3.71Å; Y133-D159 CarbonylContact C-O 3.48Å; Y133-D159 VanDerWaalsContact CA-O 3.23Å; Y133-D159 WeakPolarHBondContact CA-O 3.4Å; Q134-D159 WeakPolarHBondContact CG-OD1 3.29Å; Q134-D159 PolarHBondContact N-O 3.21Å; Q134-D159 PolarHBondContact NE2-OD1 3.35Å; Q134-D159 PolarHBondContact NE2-OD2 3.08Å; Q134-D159 PolarHBondContact O-N 2.94Å; Q134-D159 VanDerWaalsContact O-N 3.07Å; K138-D159 VanDerWaalsContact CE-OD1 3.25Å; K138-D159 WeakPolarHBondContact CE-OD1 3.21Å; K138-D159 IonicContact NZ-OD1 2.78Å; K138-D159 PolarHBondContact NZ-OD1 3.28Å; K138-D159 IonicContact NZ-OD2 3.12Å; M157-D159 HydrophobicContact CG-CB 4.38Å; M157-D159 HydrophobicContact SD-CB 4.5Å; D159-Y161 HydrophobicContact CB-CE2 4.05Å; D159-Y161 WeakPolarHBondContact CB-OH 3.37Å; D159-Y161 VanDerWaalsContact OD2-CE2 3.26Å; D159-Y161 WeakPolarHBondContact OD2-CE2 3.27Å; D159-Y161 PolarHBondContact OD2-OH 3.03Å; D159-Y444 CarbonylContact C-O 3.43Å; D159-Y444 WeakPolarHBondContact CA-O 3.4Å
160A98.8Very high97.2Very high0 Ų030.4 Ų30.40%015%0.147CC..EExtended strand (participates in β ladder)trans-128.1151.2-179.100000110.6M61 F132 K158 C443 Y444M61-A160 HydrophobicContact CE-CB 3.77Å; F132-A160 CarbonylContact O-C 3.5Å; F132-A160 WeakPolarHBondContact O-CA 3.38Å; F132-A160 WeakPolarHBondContact O-CB 3.24Å; K158-A160 HydrophobicContact CD-CB 4.38Å; A160-C443 CarbonylContact O-C 3.25Å; A160-C443 WeakPolarHBondContact O-CA 3.42Å; A160-Y444 HydrophobicContact CB-CD2 3.88Å; A160-Y444 HydrophobicContact CB-CG 4.49Å; A160-Y444 PolarHBondContact N-O 3.45Å; A160-Y444 PolarHBondContact O-N 2.72Å
161Y98.6Very high97.4Very high2 Ų233.1 Ų33.11%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-143.4124.7-174.2-49.1-88.4000109.2M71 T109 H110 E111 I114 F132 D159 G442 C443M71-Y161 HydrophobicContact CE-CD2 4.28Å; M71-Y161 HydrophobicContact CE-CE2 3.9Å; T109-Y161 PolarHBondContact OG1-OH 2.83Å; H110-Y161 WeakPolarHBondContact CA-OH 3.3Å; H110-Y161 HydrophobicContact CB-CE2 4.13Å; H110-Y161 WeakPolarHBondContact CB-OH 3.21Å; H110-Y161 PolarHBondContact N-OH 3.39Å; E111-Y161 HydrophobicContact CB-CE1 4.38Å; E111-Y161 HydrophobicContact CG-CD1 4.29Å; E111-Y161 HydrophobicContact CG-CE1 3.77Å; I114-Y161 HydrophobicContact CB-CD2 4.1Å; I114-Y161 HydrophobicContact CB-CG 4.33Å; I114-Y161 HydrophobicContact CG1-CD2 4.17Å; I114-Y161 HydrophobicContact CG1-CG 4.39Å; I114-Y161 HydrophobicContact CG2-CD1 3.9Å; I114-Y161 HydrophobicContact CG2-CD2 3.76Å; I114-Y161 HydrophobicContact CG2-CE1 4.41Å; I114-Y161 HydrophobicContact CG2-CE2 4.3Å; I114-Y161 HydrophobicContact CG2-CG 3.55Å; F132-Y161 PolarHBondContact N-O 2.85Å; F132-Y161 PolarHBondContact O-N 3.32Å; D159-Y161 HydrophobicContact CB-CE2 4.05Å; D159-Y161 WeakPolarHBondContact CB-OH 3.37Å; D159-Y161 VanDerWaalsContact OD2-CE2 3.26Å; D159-Y161 WeakPolarHBondContact OD2-CE2 3.27Å; D159-Y161 PolarHBondContact OD2-OH 3.03Å; Y161-G442 VanDerWaalsContact CA-O 3.29Å; Y161-G442 WeakPolarHBondContact CA-O 3.06Å; Y161-C443 HydrophobicContact CD1-CB 3.66Å; Y161-C443 HydrophobicContact CE1-CB 3.94Å
162S98.6Very high97.6Very high0 Ų035.7 Ų35.70%018%0.175CC..EExtended strand (participates in β ladder)trans-114148.4178.767.80000111.9L130 H164 M441 G442 Y444L130-S162 CarbonylContact O-C 3.5Å; L130-S162 WeakPolarHBondContact O-CA 3.37Å; L130-S162 WeakPolarHBondContact O-CB 3.32Å; S162-H164 WeakPolarHBondContact CB-NE2 3.43Å; S162-H164 PolarHBondContact OG-NE2 3.16Å; S162-M441 CarbonylContact O-C 3.57Å; S162-M441 VanDerWaalsContact O-CA 3.22Å; S162-M441 WeakPolarHBondContact O-CA 3.46Å; S162-G442 PolarHBondContact N-O 3.08Å; S162-G442 PolarHBondContact O-N 2.67Å; S162-Y444 WeakPolarHBondContact OG-CE2 3.5Å; S162-Y444 PolarHBondContact OG-OH 3.43Å
163F98.5Very high97.7Very high0 Ų036.5 Ų36.50%018%0.179CC..EExtended strand (participates in β ladder)trans-126.6132.9-173.9-61.1-92.4000109.7I114 I118 L128 P129 L130 F132 L439 M441I114-F163 HydrophobicContact CB-CZ 4.45Å; I114-F163 HydrophobicContact CG1-CE2 3.87Å; I114-F163 HydrophobicContact CG1-CZ 3.86Å; I114-F163 HydrophobicContact CG2-CZ 3.96Å; I118-F163 HydrophobicContact CB-CD1 4.25Å; I118-F163 HydrophobicContact CB-CE1 3.96Å; I118-F163 HydrophobicContact CB-CZ 4.18Å; I118-F163 HydrophobicContact CD1-CD2 4.01Å; I118-F163 HydrophobicContact CD1-CE2 4.03Å; I118-F163 HydrophobicContact CD1-CG 4.45Å; I118-F163 HydrophobicContact CD1-CZ 4.44Å; I118-F163 HydrophobicContact CG1-CD1 4.11Å; I118-F163 HydrophobicContact CG1-CD2 3.9Å; I118-F163 HydrophobicContact CG1-CE1 3.76Å; I118-F163 HydrophobicContact CG1-CE2 3.56Å; I118-F163 HydrophobicContact CG1-CG 4.18Å; I118-F163 HydrophobicContact CG1-CZ 3.49Å; I118-F163 VanDerWaalsContact CG1-CZ 3.49Å; I118-F163 HydrophobicContact CG2-CD1 3.77Å; I118-F163 HydrophobicContact CG2-CE1 3.99Å; I118-F163 HydrophobicContact CG2-CG 4.16Å; L128-F163 HydrophobicContact CD2-CB 3.77Å; L128-F163 WeakPolarHBondContact CD2-O 3.43Å; P129-F163 WeakPolarHBondContact CA-O 3.05Å; L130-F163 PolarHBondContact N-O 3.3Å; L130-F163 PolarHBondContact O-N 2.67Å; F132-F163 HydrophobicContact CD2-CD2 4.42Å; F132-F163 HydrophobicContact CD2-CE2 4.33Å; F163-L439 HydrophobicContact CB-CD1 4.32Å; F163-L439 HydrophobicContact CD1-CD1 4Å; F163-M441 HydrophobicContact CD1-CE 4.43Å; F163-M441 HydrophobicContact CD1-CG 3.79Å; F163-M441 HydrophobicContact CD1-SD 4.22Å; F163-M441 HydrophobicContact CE1-CE 3.54Å; F163-M441 HydrophobicContact CE1-CG 3.83Å; F163-M441 HydrophobicContact CE1-SD 3.69Å; F163-M441 HydrophobicContact CZ-CE 3.8Å
164H98Very high97.7Very high0 Ų034.1 Ų34.10%017%0.171CC..EExtended strand (participates in β ladder)trans-141.1153.7-168-54.6-76.8000112.2S162 S169 L170 T173 T440S162-H164 WeakPolarHBondContact CB-NE2 3.43Å; S162-H164 PolarHBondContact OG-NE2 3.16Å; H164-S169 PolarHBondContact CE1-O 3.22Å; H164-S169 VanDerWaalsContact ND1-C 3.31Å; H164-S169 PolarHBondContact ND1-O 3.02Å; H164-S169 PolarHBondContact ND1-OG 2.84Å; H164-L170 HydrophobicContact CB-CB 4.22Å; H164-L170 PolarHBondContact ND1-N 3.33Å; H164-T173 PolarHBondContact CE1-OG1 3.2Å; H164-T440 PolarHBondContact N-O 3.23Å; H164-T440 PolarHBondContact O-N 2.77Å
165T96.3Very high97.7Very high38 Ų3833.5 Ų33.523%0.23317%0.17CC..SBendtrans-95.5-6.2171.953.30000112.4L128 Q437L128-T165 HydrophobicContact CB-CG2 4.21Å; L128-T165 HydrophobicContact CD1-CG2 3.59Å; T165-Q437 PolarHBondContact O-NE2 2.86Å
166S95Very high97.7Very high44 Ų4434.4 Ų34.431%0.30818%0.182SC..SBendtrans-152.7158.1178.570.70000111.2E168 S169 L170S166-E168 PolarHBondContact O-N 2.78Å; S166-S169 PolarHBondContact O-N 3.01Å; S166-S169 WeakPolarHBondContact OG-CB 3.2Å; S166-S169 PolarHBondContact OG-N 3.48Å; S166-S169 VanDerWaalsContact OG-N 3.12Å; S166-L170 PolarHBondContact O-N 2.93Å; S166-L170 VanDerWaalsContact O-N 3.12Å
167Q95.5Very high97.7Very high86 Ų8633.5 Ų33.540%0.40218%0.177SC..Hα-helixtrans-62.7-33.3173.1-176.756.946.900112L170 Q171Q167-L170 PolarHBondContact O-N 2.71Å; Q167-Q171 WeakPolarHBondContact O-CB 3.44Å; Q167-Q171 PolarHBondContact O-N 3.37Å
168E96.7Very high97.6Very high146 Ų14636.3 Ų36.368%0.68219%0.187SC*.Hα-helixtrans-63.8-46.9176-174.7176.1-165.200111.3S166 L170 Q171 E172S166-E168 PolarHBondContact O-N 2.78Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 3.27Å; E168-Q171 WeakPolarHBondContact O-CB 3.45Å; E168-Q171 PolarHBondContact O-N 3.43Å; E168-Q171 VanDerWaalsContact O-N 3.12Å; E168-E172 PolarHBondContact O-N 3.39Å
169S97.4Very high97.6Very high14 Ų1438.4 Ų38.410%0.09820%0.204CC..Hα-helixtrans-63.6-36.1176.31790000112.5H164 S166 T173H164-S169 PolarHBondContact CE1-O 3.22Å; H164-S169 VanDerWaalsContact ND1-C 3.31Å; H164-S169 PolarHBondContact ND1-O 3.02Å; H164-S169 PolarHBondContact ND1-OG 2.84Å; S166-S169 PolarHBondContact O-N 3.01Å; S166-S169 WeakPolarHBondContact OG-CB 3.2Å; S166-S169 PolarHBondContact OG-N 3.48Å; S166-S169 VanDerWaalsContact OG-N 3.12Å; S169-T173 PolarHBondContact O-N 3.31Å; S169-T173 PolarHBondContact O-OG1 3.37Å
170L97.3Very high97.6Very high0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-63.3-45.3172.317259000111H164 S166 Q167 E168 E172 T173 Y174 Q416 T440 M441H164-L170 HydrophobicContact CB-CB 4.22Å; H164-L170 PolarHBondContact ND1-N 3.33Å; S166-L170 PolarHBondContact O-N 2.93Å; S166-L170 VanDerWaalsContact O-N 3.12Å; Q167-L170 PolarHBondContact O-N 2.71Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 3.27Å; L170-E172 PolarHBondContact O-N 3.06Å; L170-T173 PolarHBondContact O-N 3.41Å; L170-Y174 VanDerWaalsContact O-CB 3.31Å; L170-Y174 WeakPolarHBondContact O-CB 3.19Å; L170-Y174 PolarHBondContact O-N 3.18Å; L170-Q416 HydrophobicContact CD2-CB 3.9Å; L170-Q416 HydrophobicContact CD2-CG 4.07Å; L170-Q416 HydrophobicContact CG-CG 4.18Å; L170-T440 HydrophobicContact CB-CG2 4.46Å; L170-T440 HydrophobicContact CD2-CG2 3.55Å; L170-M441 WeakPolarHBondContact CD2-O 3.17Å
171Q97.3Very high97.6Very high70 Ų7038.4 Ų38.433%0.32721%0.205SC..Hα-helixtrans-60.1-44.9179.7-171.963.554.600111.8Q167 E168 T173 Y174 D175Q167-Q171 WeakPolarHBondContact O-CB 3.44Å; Q167-Q171 PolarHBondContact O-N 3.37Å; E168-Q171 WeakPolarHBondContact O-CB 3.45Å; E168-Q171 PolarHBondContact O-N 3.43Å; E168-Q171 VanDerWaalsContact O-N 3.12Å; Q171-T173 VanDerWaalsContact C-N 3.3Å; Q171-T173 PolarHBondContact O-N 2.86Å; Q171-Y174 WeakPolarHBondContact O-CB 3.32Å; Q171-Y174 PolarHBondContact O-N 2.97Å; Q171-D175 PolarHBondContact NE2-OD1 2.96Å; Q171-D175 VanDerWaalsContact O-CG 3.23Å; Q171-D175 PolarHBondContact O-N 3.45Å
172E97.9Very high97.6Very high123 Ų12339.6 Ų39.658%0.57521%0.214SC*.Hα-helixtrans-58-42.6177.2-69.8177.8171.600112.4E168 L170 A176E168-E172 PolarHBondContact O-N 3.39Å; L170-E172 PolarHBondContact O-N 3.06Å; E172-A176 WeakPolarHBondContact O-CB 3.4Å; E172-A176 PolarHBondContact O-N 3.15Å
173T98.2Very high97.6Very high22 Ų2245.2 Ų45.214%0.13524%0.238CC..Hα-helixtrans-73-36.4178.6-60.30000111.7N131 H164 S169 L170 Q171 D175 A176 M177N131-T173 HydrophobicContact CB-CG2 4.41Å; H164-T173 PolarHBondContact CE1-OG1 3.2Å; S169-T173 PolarHBondContact O-N 3.31Å; S169-T173 PolarHBondContact O-OG1 3.37Å; L170-T173 PolarHBondContact O-N 3.41Å; Q171-T173 VanDerWaalsContact C-N 3.3Å; Q171-T173 PolarHBondContact O-N 2.86Å; T173-D175 VanDerWaalsContact C-N 3.35Å; T173-A176 PolarHBondContact O-N 2.54Å; T173-M177 WeakPolarHBondContact O-CB 3.12Å; T173-M177 WeakPolarHBondContact O-CG 3.43Å; T173-M177 PolarHBondContact O-N 2.57Å
174Y97.5Very high97.6Very high4 Ų445.2 Ų45.22%0.01624%0.238CC..Hα-helixtrans-59.8-45.2173.9-174.2-88000111.5L170 Q171 M177 Y178 S207 H208 I414 Q416 Y444L170-Y174 VanDerWaalsContact O-CB 3.31Å; L170-Y174 WeakPolarHBondContact O-CB 3.19Å; L170-Y174 PolarHBondContact O-N 3.18Å; Q171-Y174 WeakPolarHBondContact O-CB 3.32Å; Q171-Y174 PolarHBondContact O-N 2.97Å; Y174-M177 PolarHBondContact O-N 2.77Å; Y174-Y178 PolarHBondContact O-N 3.38Å; Y174-S207 VanDerWaalsContact OH-C 3.3Å; Y174-S207 WeakPolarHBondContact OH-CA 3.43Å; Y174-H208 AromaticContact CE1-ND1 3.68Å; Y174-H208 AromaticContact CZ-ND1 3.68Å; Y174-H208 PolarHBondContact OH-N 2.9Å; Y174-H208 VanDerWaalsContact OH-N 3.08Å; Y174-H208 PolarHBondContact OH-ND1 3.16Å; Y174-I414 HydrophobicContact CD1-CD1 4.22Å; Y174-I414 HydrophobicContact CD2-CD1 4.34Å; Y174-I414 HydrophobicContact CE1-CD1 3.67Å; Y174-I414 HydrophobicContact CE1-CG1 4.36Å; Y174-I414 HydrophobicContact CE2-CB 3.97Å; Y174-I414 HydrophobicContact CE2-CD1 3.81Å; Y174-I414 HydrophobicContact CE2-CG1 3.78Å; Y174-I414 VanDerWaalsContact CZ-CD1 3.45Å; Y174-I414 WeakPolarHBondContact OH-CG1 3.23Å; Y174-I414 PolarHBondContact OH-O 3.02Å; Y174-Q416 HydrophobicContact CD2-CG 3.45Å; Y174-Q416 VanDerWaalsContact CD2-CG 3.45Å; Y174-Q416 HydrophobicContact CE2-CG 3.77Å; Y174-Q416 HydrophobicContact CG-CG 4.02Å; Y174-Y444 AromaticContact CD2-CE1 3.99Å; Y174-Y444 HydrophobicContact CD2-CE1 3.99Å
175D97.3Very high97.6Very high85 Ų8545.2 Ų45.246%0.45524%0.238SC..Hα-helixtrans-66.4-40.5177.4-64.6-17.3000111.5Q171 T173 M177 Y178 A179Q171-D175 PolarHBondContact NE2-OD1 2.96Å; Q171-D175 VanDerWaalsContact O-CG 3.23Å; Q171-D175 PolarHBondContact O-N 3.45Å; T173-D175 VanDerWaalsContact C-N 3.35Å; D175-M177 VanDerWaalsContact C-N 3.27Å; D175-M177 PolarHBondContact O-N 3.39Å; D175-Y178 PolarHBondContact O-N 3.22Å; D175-A179 PolarHBondContact O-N 3.16Å
176A98.2Very high97.7Very high41 Ų4146.9 Ų46.934%0.33925%0.251SS..Hα-helixtrans-60.8-39172.500000111.6E172 T173 A179 A180E172-A176 WeakPolarHBondContact O-CB 3.4Å; E172-A176 PolarHBondContact O-N 3.15Å; T173-A176 PolarHBondContact O-N 2.54Å; A176-A179 PolarHBondContact O-N 3.33Å; A176-A180 WeakPolarHBondContact O-CB 3.07Å; A176-A180 PolarHBondContact O-N 3.28Å
177M98.5Very high97.8Very high1 Ų149.4 Ų49.41%0.00525%0.254CS..Hα-helixtrans-69.4-40.7176.6-73.8-39.1-44.800113M61 N131 T173 Y174 D175 A179 A180 Y181 Y444M61-M177 HydrophobicContact CE-CE 3.41Å; M61-M177 VanDerWaalsContact CE-CE 3.41Å; M61-M177 HydrophobicContact CE-SD 3.9Å; M61-M177 HydrophobicContact SD-CE 3.32Å; M61-M177 WeakPolarHBondContact SD-CE 3.25Å; N131-M177 PolarHBondContact ND2-SD 3.32Å; T173-M177 WeakPolarHBondContact O-CB 3.12Å; T173-M177 WeakPolarHBondContact O-CG 3.43Å; T173-M177 PolarHBondContact O-N 2.57Å; Y174-M177 PolarHBondContact O-N 2.77Å; D175-M177 VanDerWaalsContact C-N 3.27Å; D175-M177 PolarHBondContact O-N 3.39Å; M177-A179 VanDerWaalsContact C-N 3.31Å; M177-A179 PolarHBondContact O-N 3.08Å; M177-A180 HydrophobicContact CE-CB 3.99Å; M177-A180 PolarHBondContact O-N 2.87Å; M177-Y181 HydrophobicContact CE-CD1 3.77Å; M177-Y181 HydrophobicContact CE-CE1 3.37Å; M177-Y181 VanDerWaalsContact O-CD1 3.25Å; M177-Y181 WeakPolarHBondContact O-CD1 3.21Å; M177-Y181 PolarHBondContact O-N 3.07Å; M177-Y444 HydrophobicContact CB-CD1 3.74Å; M177-Y444 HydrophobicContact CB-CE1 3.86Å; M177-Y444 HydrophobicContact CB-CG 4.19Å; M177-Y444 HydrophobicContact CG-CD1 3.69Å; M177-Y444 HydrophobicContact CG-CD2 3.81Å; M177-Y444 HydrophobicContact CG-CE1 3.71Å; M177-Y444 HydrophobicContact CG-CE2 3.82Å; M177-Y444 HydrophobicContact CG-CG 3.75Å
178Y97.9Very high98Very high83 Ų8345.3 Ų45.333%0.32524%0.235SC..Hα-helixtrans-56.8-46.5172.4-177.4-78.7000111.2Y174 D175 Y181 S182 A194 H208 F210 I414Y174-Y178 PolarHBondContact O-N 3.38Å; D175-Y178 PolarHBondContact O-N 3.22Å; Y178-Y181 PolarHBondContact O-N 2.88Å; Y178-S182 WeakPolarHBondContact O-CB 3.44Å; Y178-S182 PolarHBondContact O-N 2.93Å; Y178-S182 PolarHBondContact O-OG 3.12Å; Y178-A194 HydrophobicContact CD2-CB 4.42Å; Y178-A194 HydrophobicContact CE2-CB 3.44Å; Y178-A194 VanDerWaalsContact CE2-CB 3.44Å; Y178-A194 WeakPolarHBondContact OH-CB 3.39Å; Y178-H208 HydrophobicContact CD2-CB 4.47Å; Y178-H208 AromaticContact CE2-CD2 3.95Å; Y178-F210 HydrophobicContact CD2-CE2 4.36Å; Y178-F210 AromaticContact CD2-CZ 3.88Å; Y178-F210 HydrophobicContact CD2-CZ 3.88Å; Y178-F210 HydrophobicContact CE2-CZ 4.2Å; Y178-F210 HydrophobicContact CG-CZ 4.12Å; Y178-I414 HydrophobicContact CD2-CD1 4Å; Y178-I414 HydrophobicContact CG-CD1 4.42Å
179A98.3Very high98Very high44 Ų4440.4 Ų40.436%0.36422%0.223SC..Hα-helixtrans-66-41.2178.100000112.3D175 A176 M177 S182 K183D175-A179 PolarHBondContact O-N 3.16Å; A176-A179 PolarHBondContact O-N 3.33Å; M177-A179 VanDerWaalsContact C-N 3.31Å; M177-A179 PolarHBondContact O-N 3.08Å; A179-S182 PolarHBondContact O-N 3.45Å; A179-K183 WeakPolarHBondContact O-CG 3.46Å; A179-K183 PolarHBondContact O-N 3.33Å
180A98.6Very high98Very high4 Ų440.3 Ų40.33%0.03322%0.222CC..Hα-helixtrans-61.9-44.8176.700000111.4A64 A176 M177 S182 K183 I184A64-A180 HydrophobicContact CB-CB 3.94Å; A176-A180 WeakPolarHBondContact O-CB 3.07Å; A176-A180 PolarHBondContact O-N 3.28Å; M177-A180 HydrophobicContact CE-CB 3.99Å; M177-A180 PolarHBondContact O-N 2.87Å; A180-S182 VanDerWaalsContact C-N 3.35Å; A180-S182 PolarHBondContact O-N 3.49Å; A180-K183 WeakPolarHBondContact O-CB 3.39Å; A180-K183 PolarHBondContact O-N 3.09Å; A180-I184 VanDerWaalsContact O-CG1 3.27Å; A180-I184 WeakPolarHBondContact O-CG1 3.24Å; A180-I184 PolarHBondContact O-N 2.74Å
181Y98.6Very high97.8Very high0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-64.7-42.9178.9-81.433000111.2M61 K158 M177 Y178 K183 I184 F185 F210 I414 Y444 G445 I446M61-Y181 HydrophobicContact SD-CE1 4.12Å; K158-Y181 WeakPolarHBondContact CE-OH 3.36Å; K158-Y181 PolarHBondContact NZ-OH 2.82Å; M177-Y181 HydrophobicContact CE-CD1 3.77Å; M177-Y181 HydrophobicContact CE-CE1 3.37Å; M177-Y181 VanDerWaalsContact O-CD1 3.25Å; M177-Y181 WeakPolarHBondContact O-CD1 3.21Å; M177-Y181 PolarHBondContact O-N 3.07Å; Y178-Y181 PolarHBondContact O-N 2.88Å; Y181-K183 VanDerWaalsContact C-N 3.28Å; Y181-K183 PolarHBondContact O-N 2.96Å; Y181-I184 HydrophobicContact CD1-CD1 4.29Å; Y181-I184 WeakPolarHBondContact O-CB 3.48Å; Y181-I184 PolarHBondContact O-N 2.86Å; Y181-I184 VanDerWaalsContact O-N 3.14Å; Y181-F185 HydrophobicContact CD2-CE2 4.28Å; Y181-F185 HydrophobicContact CG-CE2 4.49Å; Y181-F185 WeakPolarHBondContact O-CD2 3.35Å; Y181-F185 PolarHBondContact O-N 3.05Å; Y181-F210 VanDerWaalsContact CB-CZ 3.47Å; Y181-F210 AromaticContact CD2-CD2 3.68Å; Y181-F210 HydrophobicContact CD2-CD2 3.68Å; Y181-F210 AromaticContact CD2-CE2 3.73Å; Y181-F210 HydrophobicContact CD2-CE2 3.73Å; Y181-F210 HydrophobicContact CD2-CG 4.19Å; Y181-F210 HydrophobicContact CD2-CZ 4.28Å; Y181-F210 HydrophobicContact CG-CD2 4.45Å; Y181-F210 HydrophobicContact CG-CE2 4.18Å; Y181-F210 HydrophobicContact CG-CZ 4.3Å; Y181-I414 HydrophobicContact CD2-CG2 3.88Å; Y181-I414 HydrophobicContact CE2-CG2 3.47Å; Y181-I414 VanDerWaalsContact CE2-CG2 3.47Å; Y181-Y444 WeakPolarHBondContact OH-CA 3.45Å; Y181-Y444 WeakPolarHBondContact OH-CB 3.38Å; Y181-Y444 PolarHBondContact OH-O 3.16Å; Y181-G445 VanDerWaalsContact CE2-O 3.31Å; Y181-G445 WeakPolarHBondContact CE2-O 3.43Å; Y181-G445 PolarHBondContact OH-N 3.38Å; Y181-G445 PolarHBondContact OH-O 3.34Å; Y181-I446 HydrophobicContact CD1-CD1 3.94Å; Y181-I446 HydrophobicContact CD2-CD1 4.01Å; Y181-I446 HydrophobicContact CD2-CG1 3.94Å; Y181-I446 HydrophobicContact CE1-CD1 3.8Å; Y181-I446 HydrophobicContact CE1-CG1 4.16Å; Y181-I446 HydrophobicContact CE2-CD1 3.9Å; Y181-I446 HydrophobicContact CE2-CG1 3.47Å; Y181-I446 VanDerWaalsContact CE2-CG1 3.47Å; Y181-I446 HydrophobicContact CG-CD1 4.05Å; Y181-I446 HydrophobicContact CG-CG1 4.48Å
182S98.1Very high97.7Very high27 Ų2743 Ų4319%0.18924%0.237CC..Hα-helixtrans-57.1-42.9174.9-60.10000111.7Y178 A179 A180 S186 F192Y178-S182 WeakPolarHBondContact O-CB 3.44Å; Y178-S182 PolarHBondContact O-N 2.93Å; Y178-S182 PolarHBondContact O-OG 3.12Å; A179-S182 PolarHBondContact O-N 3.45Å; A180-S182 VanDerWaalsContact C-N 3.35Å; A180-S182 PolarHBondContact O-N 3.49Å; S182-S186 VanDerWaalsContact O-CB 3.24Å; S182-S186 WeakPolarHBondContact O-CB 3.14Å; S182-S186 PolarHBondContact O-N 3.27Å; S182-S186 PolarHBondContact O-OG 3.2Å; S182-F192 WeakPolarHBondContact O-CZ 3.46Å
183K98.4Very high97.5Very high117 Ų11741.5 Ų41.551%0.50923%0.226SC..Hα-helixtrans-65.7-43174.5-72.2172.4-177.6174.60112.5E60 A179 A180 Y181 F185 S186 R187E60-K183 HydrophobicContact CG-CB 4.25Å; A179-K183 WeakPolarHBondContact O-CG 3.46Å; A179-K183 PolarHBondContact O-N 3.33Å; A180-K183 WeakPolarHBondContact O-CB 3.39Å; A180-K183 PolarHBondContact O-N 3.09Å; Y181-K183 VanDerWaalsContact C-N 3.28Å; Y181-K183 PolarHBondContact O-N 2.96Å; K183-F185 PolarHBondContact O-N 2.54Å; K183-S186 PolarHBondContact O-N 3.22Å; K183-R187 WeakPolarHBondContact O-CB 3.31Å; K183-R187 VanDerWaalsContact O-CG 3.27Å; K183-R187 WeakPolarHBondContact O-CG 3.38Å; K183-R187 PolarHBondContact O-N 2.86Å
184I98.8Very high97.3Very high0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-54.5-55.8177.8-72.6168.2000110.2I56 V57 E60 A180 Y181 R187 M188 I446I56-I184 HydrophobicContact CG2-CG2 4.49Å; V57-I184 HydrophobicContact CB-CD1 4.39Å; V57-I184 HydrophobicContact CG1-CD1 4.21Å; V57-I184 HydrophobicContact CG2-CD1 4.34Å; V57-I184 HydrophobicContact CG2-CG2 3.77Å; E60-I184 HydrophobicContact CB-CD1 3.96Å; E60-I184 HydrophobicContact CB-CG1 3.42Å; E60-I184 VanDerWaalsContact CB-CG1 3.42Å; E60-I184 HydrophobicContact CG-CG1 3.64Å; A180-I184 VanDerWaalsContact O-CG1 3.27Å; A180-I184 WeakPolarHBondContact O-CG1 3.24Å; A180-I184 PolarHBondContact O-N 2.74Å; Y181-I184 HydrophobicContact CD1-CD1 4.29Å; Y181-I184 WeakPolarHBondContact O-CB 3.48Å; Y181-I184 PolarHBondContact O-N 2.86Å; Y181-I184 VanDerWaalsContact O-N 3.14Å; I184-R187 PolarHBondContact O-N 3.02Å; I184-M188 HydrophobicContact CG2-CE 3.46Å; I184-M188 VanDerWaalsContact CG2-CE 3.46Å; I184-M188 HydrophobicContact CG2-SD 4.19Å; I184-M188 WeakPolarHBondContact O-CG 3.32Å; I184-M188 PolarHBondContact O-N 3.26Å; I184-M188 VanDerWaalsContact O-N 3.08Å; I184-I446 HydrophobicContact CD1-CD1 3.78Å; I184-I446 HydrophobicContact CG2-CD1 4.33Å
185F98.5Very high97.1Very high0 Ų041 Ų410%023%0.225CC..Hα-helixtrans-70.7-33.9-175.9-58.9-54.5000112.3Y181 K183 M188 G189 L190 F192 F210 V411 I446 V451Y181-F185 HydrophobicContact CD2-CE2 4.28Å; Y181-F185 HydrophobicContact CG-CE2 4.49Å; Y181-F185 WeakPolarHBondContact O-CD2 3.35Å; Y181-F185 PolarHBondContact O-N 3.05Å; K183-F185 PolarHBondContact O-N 2.54Å; F185-M188 CarbonylContact O-C 3.48Å; F185-M188 PolarHBondContact O-N 2.72Å; F185-G189 PolarHBondContact O-N 2.94Å; F185-L190 HydrophobicContact CD1-CD1 4.12Å; F185-L190 PolarHBondContact O-N 2.58Å; F185-L190 VanDerWaalsContact O-N 3.16Å; F185-F192 HydrophobicContact CB-CB 4.47Å; F185-F192 HydrophobicContact CB-CD1 3.42Å; F185-F192 VanDerWaalsContact CB-CD1 3.42Å; F185-F192 HydrophobicContact CB-CD2 4.15Å; F185-F192 HydrophobicContact CB-CE1 3.6Å; F185-F192 HydrophobicContact CB-CE2 4.3Å; F185-F192 HydrophobicContact CB-CG 3.73Å; F185-F192 HydrophobicContact CB-CZ 4.05Å; F185-F192 HydrophobicContact CD2-CD2 4.06Å; F185-F192 HydrophobicContact CD2-CE2 4.22Å; F185-F192 HydrophobicContact CD2-CG 4.37Å; F185-F192 HydrophobicContact CG-CD1 4.46Å; F185-F192 HydrophobicContact CG-CD2 4.46Å; F185-F192 HydrophobicContact CG-CG 4.33Å; F185-F210 HydrophobicContact CD2-CB 4.09Å; F185-F210 AromaticContact CD2-CD1 3.66Å; F185-F210 HydrophobicContact CD2-CD1 3.66Å; F185-F210 HydrophobicContact CD2-CE1 4.48Å; F185-F210 HydrophobicContact CD2-CG 4.16Å; F185-F210 HydrophobicContact CE2-CB 3.45Å; F185-F210 VanDerWaalsContact CE2-CB 3.45Å; F185-F210 AromaticContact CE2-CD1 3.61Å; F185-F210 HydrophobicContact CE2-CD1 3.61Å; F185-F210 AromaticContact CE2-CG 3.64Å; F185-F210 HydrophobicContact CE2-CG 3.64Å; F185-F210 HydrophobicContact CZ-CB 4.18Å; F185-V411 HydrophobicContact CD1-CG2 4.09Å; F185-V411 HydrophobicContact CE1-CB 4.01Å; F185-V411 HydrophobicContact CE1-CG2 3.49Å; F185-V411 VanDerWaalsContact CE1-CG2 3.49Å; F185-V411 HydrophobicContact CE2-CG2 4.08Å; F185-V411 HydrophobicContact CZ-CB 4.15Å; F185-V411 HydrophobicContact CZ-CG2 3.48Å; F185-V411 VanDerWaalsContact CZ-CG2 3.48Å; F185-I446 HydrophobicContact CE1-CG2 4.43Å; F185-I446 HydrophobicContact CZ-CD1 4.03Å; F185-I446 HydrophobicContact CZ-CG1 4.09Å; F185-I446 HydrophobicContact CZ-CG2 4.38Å; F185-V451 HydrophobicContact CE1-CG2 3.94Å
186S98Very high96.8Very high73 Ų7341.1 Ų41.151%0.5122%0.222SC..Hα-helixtrans-63.3-44172-59.90000112.2S182 K183 M188 G189S182-S186 VanDerWaalsContact O-CB 3.24Å; S182-S186 WeakPolarHBondContact O-CB 3.14Å; S182-S186 PolarHBondContact O-N 3.27Å; S182-S186 PolarHBondContact O-OG 3.2Å; K183-S186 PolarHBondContact O-N 3.22Å; S186-M188 PolarHBondContact O-N 2.77Å; S186-G189 WeakPolarHBondContact O-CA 3.34Å; S186-G189 PolarHBondContact O-N 2.83Å
187R97.9Very high96.3Very high97 Ų9739.4 Ų39.437%0.36621%0.209SC..Hα-helixtrans-64.4-29.5176.4-77.4-176.564.2-166.6-3.6112.5I56 E59 E60 K183 I184 A470I56-R187 HydrophobicContact CG2-CB 3.91Å; E59-R187 IonicContact OE2-CZ 2.71Å; E59-R187 IonicContact OE2-NH1 3.54Å; E59-R187 PolarHBondContact OE2-NH1 3.21Å; E59-R187 IonicContact OE2-NH2 3.81Å; E59-R187 PolarHBondContact OE2-NH2 3.34Å; E60-R187 WeakPolarHBondContact OE1-CD 3.15Å; E60-R187 IonicContact OE1-CZ 2.66Å; E60-R187 IonicContact OE1-NE 3.64Å; E60-R187 IonicContact OE1-NH1 2.77Å; E60-R187 PolarHBondContact OE1-NH1 2.93Å; K183-R187 WeakPolarHBondContact O-CB 3.31Å; K183-R187 VanDerWaalsContact O-CG 3.27Å; K183-R187 WeakPolarHBondContact O-CG 3.38Å; K183-R187 PolarHBondContact O-N 2.86Å; I184-R187 PolarHBondContact O-N 3.02Å; R187-A470 WeakPolarHBondContact O-CB 3.21Å
188M98.1Very high95.5Very high0 Ų040.7 Ų40.70%022%0.215CC..THydrogen-bonded Turntrans-79.6-3.7172.5-66.4175.1-167.900113.1V53 I56 V57 I184 F185 S186 L190 V451 P468 I471V53-M188 HydrophobicContact CB-CE 4.27Å; V53-M188 HydrophobicContact CG1-CE 3.64Å; V53-M188 HydrophobicContact CG1-SD 4.18Å; I56-M188 HydrophobicContact CB-CE 3.83Å; I56-M188 HydrophobicContact CD1-CE 4.45Å; I56-M188 HydrophobicContact CD1-CG 3.89Å; I56-M188 HydrophobicContact CG2-CE 3.76Å; I56-M188 HydrophobicContact CG2-CG 4.28Å; V57-M188 HydrophobicContact CG2-CE 3.84Å; I184-M188 HydrophobicContact CG2-CE 3.46Å; I184-M188 VanDerWaalsContact CG2-CE 3.46Å; I184-M188 HydrophobicContact CG2-SD 4.19Å; I184-M188 WeakPolarHBondContact O-CG 3.32Å; I184-M188 PolarHBondContact O-N 3.26Å; I184-M188 VanDerWaalsContact O-N 3.08Å; F185-M188 CarbonylContact O-C 3.48Å; F185-M188 PolarHBondContact O-N 2.72Å; S186-M188 PolarHBondContact O-N 2.77Å; M188-L190 VanDerWaalsContact C-N 3.34Å; M188-L190 HydrophobicContact CB-CD1 4.13Å; M188-L190 HydrophobicContact CB-CG 3.95Å; M188-L190 PolarHBondContact O-N 3.48Å; M188-L190 HydrophobicContact SD-CD1 4.5Å; M188-V451 HydrophobicContact SD-CG1 3.58Å; M188-V451 VanDerWaalsContact SD-CG1 3.58Å; M188-P468 WeakPolarHBondContact O-CB 3.45Å; M188-P468 WeakPolarHBondContact O-CG 3.35Å; M188-I471 HydrophobicContact CB-CG2 4.48Å; M188-I471 HydrophobicContact CG-CG2 4.08Å
189G96.7Very high94.5Very high43 Ų4338.2 Ų38.244%0.44321%0.209SC..THydrogen-bonded Turntrans65.534.1178.700000113.7F185 S186F185-G189 PolarHBondContact O-N 2.94Å; S186-G189 WeakPolarHBondContact O-CA 3.34Å; S186-G189 PolarHBondContact O-N 2.83Å
190L97.3Very high93.2Very high12 Ų1238.2 Ų38.26%0.06321%0.213CC..  trans-92.6143.9178.6-57.6178.4000110.9F185 M188 F192 V212 V451 A455F185-L190 HydrophobicContact CD1-CD1 4.12Å; F185-L190 PolarHBondContact O-N 2.58Å; F185-L190 VanDerWaalsContact O-N 3.16Å; M188-L190 VanDerWaalsContact C-N 3.34Å; M188-L190 HydrophobicContact CB-CD1 4.13Å; M188-L190 HydrophobicContact CB-CG 3.95Å; M188-L190 PolarHBondContact O-N 3.48Å; M188-L190 HydrophobicContact SD-CD1 4.5Å; L190-F192 PolarHBondContact O-N 3.03Å; L190-V212 HydrophobicContact CB-CG2 4.32Å; L190-V212 HydrophobicContact CD1-CG2 3.95Å; L190-V451 HydrophobicContact CD1-CG1 4.25Å; L190-A455 HydrophobicContact CD2-CB 3.68Å
191D94.6Very high91.4Very high93 Ų9343.6 Ų43.650%0.49725%0.251SS..  trans-85.999.9168.1-179.519.7000108.6L213 Q458D191-L213 PolarHBondContact O-N 3.02Å; D191-Q458 PolarHBondContact O-NE2 3.36Å
192F95.1Very high89.7Confident34 Ų3445.9 Ų45.915%0.14926%0.262CS..EExtended strand (participates in β ladder)trans-128158.7-17477.5-78.6000111.4S182 F185 L190 F210 Q211 V212S182-F192 WeakPolarHBondContact O-CZ 3.46Å; F185-F192 HydrophobicContact CB-CB 4.47Å; F185-F192 HydrophobicContact CB-CD1 3.42Å; F185-F192 VanDerWaalsContact CB-CD1 3.42Å; F185-F192 HydrophobicContact CB-CD2 4.15Å; F185-F192 HydrophobicContact CB-CE1 3.6Å; F185-F192 HydrophobicContact CB-CE2 4.3Å; F185-F192 HydrophobicContact CB-CG 3.73Å; F185-F192 HydrophobicContact CB-CZ 4.05Å; F185-F192 HydrophobicContact CD2-CD2 4.06Å; F185-F192 HydrophobicContact CD2-CE2 4.22Å; F185-F192 HydrophobicContact CD2-CG 4.37Å; F185-F192 HydrophobicContact CG-CD1 4.46Å; F185-F192 HydrophobicContact CG-CD2 4.46Å; F185-F192 HydrophobicContact CG-CG 4.33Å; L190-F192 PolarHBondContact O-N 3.03Å; F192-F210 AromaticContact CD2-CD1 3.81Å; F192-F210 HydrophobicContact CD2-CD1 3.81Å; F192-F210 HydrophobicContact CD2-CE1 4.49Å; F192-F210 AromaticContact CE2-CD1 3.72Å; F192-F210 HydrophobicContact CE2-CD1 3.72Å; F192-F210 AromaticContact CE2-CE1 3.96Å; F192-F210 HydrophobicContact CE2-CE1 3.96Å; F192-Q211 CarbonylContact C-O 3.46Å; F192-Q211 WeakPolarHBondContact CA-O 3.34Å; F192-Q211 WeakPolarHBondContact CB-O 3.45Å; F192-V212 HydrophobicContact CB-CG2 4.2Å
193R92.6Very high88Confident92 Ų9245.4 Ų45.435%0.34726%0.262SS..EExtended strand (participates in β ladder)trans-128136.7169.8-68.2-63.8-172.6121.3-1.3109.5V195 Q211 L213R193-V195 HydrophobicContact CB-CG1 4.04Å; R193-Q211 PolarHBondContact N-O 2.81Å; R193-Q211 PolarHBondContact O-N 2.88Å; R193-L213 HydrophobicContact CG-CD1 4.27Å; R193-L213 HydrophobicContact CG-CD2 4.31Å
194A93.7Very high86.6Confident15 Ų1541.7 Ų41.712%0.12426%0.257CS..EExtended strand (participates in β ladder)trans-86.8127.4163.700000107.7Y178 E209 F210Y178-A194 HydrophobicContact CD2-CB 4.42Å; Y178-A194 HydrophobicContact CE2-CB 3.44Å; Y178-A194 VanDerWaalsContact CE2-CB 3.44Å; Y178-A194 WeakPolarHBondContact OH-CB 3.39Å; A194-E209 CarbonylContact C-O 3.51Å; A194-E209 VanDerWaalsContact CA-O 3.25Å; A194-E209 WeakPolarHBondContact CA-O 3.32Å; A194-F210 HydrophobicContact CB-CD1 3.99Å; A194-F210 HydrophobicContact CB-CE1 3.7Å; A194-F210 HydrophobicContact CB-CE2 4.35Å; A194-F210 HydrophobicContact CB-CG 4.44Å; A194-F210 HydrophobicContact CB-CZ 3.89Å
195V93.4Very high85.4Confident0 Ų045.7 Ų45.70%029%0.285CS..EExtended strand (participates in β ladder)trans-129.2143-172.9-590000110.3R193 A197 H208 E209 Q211 V221 A230R193-V195 HydrophobicContact CB-CG1 4.04Å; V195-A197 PolarHBondContact O-N 3.5Å; V195-H208 CarbonylContact O-C 3.51Å; V195-H208 WeakPolarHBondContact O-CA 3.43Å; V195-E209 HydrophobicContact CG2-CB 3.83Å; V195-E209 PolarHBondContact N-O 3.14Å; V195-E209 PolarHBondContact O-N 2.89Å; V195-Q211 HydrophobicContact CG2-CG 3.74Å; V195-V221 HydrophobicContact CB-CG1 4.31Å; V195-V221 HydrophobicContact CG1-CG1 3.3Å; V195-V221 HydrophobicContact CG2-CG1 4.43Å; V195-A230 WeakPolarHBondContact CA-O 3.41Å; V195-A230 HydrophobicContact CB-CB 4.22Å; V195-A230 HydrophobicContact CG1-CB 3.53Å
196Q91.6Very high84.6Confident87 Ų8747.2 Ų47.241%0.40730%0.297SS..EExtended strand (participates in β ladder)trans-63.6135.3172.9-621791.400109.5A230 A231 N232 L235Q196-A230 PolarHBondContact N-O 3.28Å; Q196-A231 HydrophobicContact CB-CB 4.26Å; Q196-A231 CarbonylContact O-C 3.41Å; Q196-A231 WeakPolarHBondContact O-CA 3.29Å; Q196-N232 PolarHBondContact O-N 2.83Å; Q196-L235 HydrophobicContact CB-CD2 3.63Å
197A87.6Confident84.3Confident6 Ų644 Ų445%0.0528%0.275CS..  trans-132.4161-17300000111.7V195 S207 E209V195-A197 PolarHBondContact O-N 3.5Å; A197-S207 PolarHBondContact N-O 2.72Å; A197-E209 HydrophobicContact CB-CB 4.18Å; A197-E209 VanDerWaalsContact CB-CD 3.46Å; A197-E209 HydrophobicContact CB-CG 3.5Å; A197-E209 VanDerWaalsContact CB-OE1 3.29Å; A197-E209 WeakPolarHBondContact CB-OE1 3.11Å
198D82.3Confident84.1Confident27 Ų2741.4 Ų41.414%0.14427%0.267CS..  trans-68.4149.2171.8-167.857.8000111.1G200 V307 K311D198-G200 VanDerWaalsContact C-N 3.28Å; D198-G200 WeakPolarHBondContact OD2-CA 3.09Å; D198-G200 PolarHBondContact OD2-N 3.05Å; D198-V307 HydrophobicContact CB-CG1 4.04Å; D198-K311 WeakPolarHBondContact OD1-CE 3.26Å; D198-K311 IonicContact OD1-NZ 3.79Å; D198-K311 PolarHBondContact OD1-NZ 3.04Å
199T76.3Confident84Confident32 Ų3242 Ų4220%0.19627%0.27CS..  trans-79.6-16.4175.951.10000112.4G203T199-G203 PolarHBondContact O-N 2.8Å; T199-G203 VanDerWaalsContact O-N 3.12Å
200G71.7Confident84Confident44 Ų4440 Ų4045%0.45425%0.249SC..THydrogen-bonded Turntrans51.4-149.4177.500000113.6D198 I202 G203D198-G200 VanDerWaalsContact C-N 3.28Å; D198-G200 WeakPolarHBondContact OD2-CA 3.09Å; D198-G200 PolarHBondContact OD2-N 3.05Å; G200-I202 VanDerWaalsContact C-N 3.3Å; G200-I202 PolarHBondContact O-N 3.44Å; G200-G203 PolarHBondContact O-N 3.45Å
201S61.4Low83.9Confident117 Ų11739.4 Ų39.482%0.81825%0.246SC*.THydrogen-bonded Turntrans-77.1-12.9178.339.90000113.8K420S201-K420 PolarHBondContact O-NZ 3.46Å
202I63Low84Confident47 Ų4735 Ų3524%0.24122%0.222CC..THydrogen-bonded Turntrans-63.7-37.7168.3-72.9174.1000109.3G200 F415 L417 K420G200-I202 VanDerWaalsContact C-N 3.3Å; G200-I202 PolarHBondContact O-N 3.44Å; I202-F415 HydrophobicContact CB-CD1 4.46Å; I202-F415 HydrophobicContact CB-CE1 4.28Å; I202-F415 HydrophobicContact CD1-CD2 4.44Å; I202-F415 HydrophobicContact CD1-CE1 4.07Å; I202-F415 HydrophobicContact CD1-CE2 3.76Å; I202-F415 HydrophobicContact CD1-CZ 3.52Å; I202-F415 HydrophobicContact CG2-CD1 4.05Å; I202-F415 HydrophobicContact CG2-CE1 4.32Å; I202-F415 HydrophobicContact CG2-CG 4.14Å; I202-L417 HydrophobicContact CG2-CD2 3.17Å; I202-K420 VanDerWaalsContact O-CD 3.26Å; I202-K420 WeakPolarHBondContact O-CD 3.22Å; I202-K420 PolarHBondContact O-NZ 3.15Å
203G62.2Low83.9Confident17 Ų1734.3 Ų34.318%0.17522%0.22CC..  trans82.6165.5179.900000112.1T199 G200T199-G203 PolarHBondContact O-N 2.8Å; T199-G203 VanDerWaalsContact O-N 3.12Å; G200-G203 PolarHBondContact O-N 3.45Å
204G67.3Low83.9Confident39 Ų3930.5 Ų30.540%0.40221%0.208SC..  trans140.6-174.3-179.200000113.8Q416G204-Q416 WeakPolarHBondContact CA-O 3.45Å
205S73.8Confident83.6Confident84 Ų8438.3 Ų38.359%0.58724%0.242SC*.SBendtrans-106.9-28.717852.30000113.8Q416S205-Q416 PolarHBondContact N-O 2.91Å; S205-Q416 PolarHBondContact OG-OE1 3.32Å
206A81.9Confident83.4Confident33 Ų3339.6 Ų39.627%0.27325%0.251SS..  trans-147.9143.6-176.300000110.9Q416A206-Q416 HydrophobicContact CB-CG 4.32Å; A206-Q416 PolarHBondContact O-N 2.9Å
207S91.9Very high83.2Confident6 Ų635.5 Ų35.54%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-147.8142.3179.6-164.40000112.1Y174 A197 H413 I414 F415Y174-S207 VanDerWaalsContact OH-C 3.3Å; Y174-S207 WeakPolarHBondContact OH-CA 3.43Å; A197-S207 PolarHBondContact N-O 2.72Å; S207-H413 PolarHBondContact OG-CD2 3.49Å; S207-H413 PolarHBondContact OG-NE2 3.25Å; S207-I414 VanDerWaalsContact CA-O 3.28Å; S207-I414 WeakPolarHBondContact CA-O 3.3Å; S207-I414 PolarHBondContact OG-O 3.45Å; S207-F415 WeakPolarHBondContact OG-CD1 3.33Å; S207-F415 VanDerWaalsContact OG-CE1 3.31Å; S207-F415 WeakPolarHBondContact OG-CE1 3.49Å
208H94.9Very high83.1Confident41 Ų4139.1 Ų39.119%0.1925%0.248CC..EExtended strand (participates in β ladder)trans-132.3129.8171.9-72.284.1000110.6Y174 Y178 V195 H413 I414Y174-H208 AromaticContact CE1-ND1 3.68Å; Y174-H208 AromaticContact CZ-ND1 3.68Å; Y174-H208 PolarHBondContact OH-N 2.9Å; Y174-H208 VanDerWaalsContact OH-N 3.08Å; Y174-H208 PolarHBondContact OH-ND1 3.16Å; Y178-H208 HydrophobicContact CD2-CB 4.47Å; Y178-H208 AromaticContact CE2-CD2 3.95Å; V195-H208 CarbonylContact O-C 3.51Å; V195-H208 WeakPolarHBondContact O-CA 3.43Å; H208-H413 WeakPolarHBondContact O-CA 3.12Å; H208-H413 PolarHBondContact O-CD2 3.34Å; H208-H413 VanDerWaalsContact O-CD2 3.28Å; H208-I414 HydrophobicContact CB-CD1 4.12Å; H208-I414 HydrophobicContact CB-CG1 3.75Å; H208-I414 PolarHBondContact N-O 3.19Å; H208-I414 WeakPolarHBondContact O-CG1 3.4Å; H208-I414 PolarHBondContact O-N 2.91Å
209E95Very high83.5Confident14 Ų1439.8 Ų39.87%0.06525%0.251CS..EExtended strand (participates in β ladder)trans-93.2144.6169.7-73.9164.7-164.200110.1A194 V195 A197 Q211 N232 E410 G412 H413A194-E209 CarbonylContact C-O 3.51Å; A194-E209 VanDerWaalsContact CA-O 3.25Å; A194-E209 WeakPolarHBondContact CA-O 3.32Å; V195-E209 HydrophobicContact CG2-CB 3.83Å; V195-E209 PolarHBondContact N-O 3.14Å; V195-E209 PolarHBondContact O-N 2.89Å; A197-E209 HydrophobicContact CB-CB 4.18Å; A197-E209 VanDerWaalsContact CB-CD 3.46Å; A197-E209 HydrophobicContact CB-CG 3.5Å; A197-E209 VanDerWaalsContact CB-OE1 3.29Å; A197-E209 WeakPolarHBondContact CB-OE1 3.11Å; E209-Q211 HydrophobicContact CB-CG 4.14Å; E209-Q211 PolarHBondContact OE2-NE2 3.02Å; E209-N232 PolarHBondContact OE2-ND2 2.97Å; E209-E410 HydrophobicContact CB-CG 4.38Å; E209-E410 HydrophobicContact CG-CG 4.12Å; E209-G412 CarbonylContact C-O 3.55Å; E209-G412 WeakPolarHBondContact CA-O 3.44Å; E209-H413 VanDerWaalsContact CG-CE1 3.45Å; E209-H413 WeakPolarHBondContact CG-CE1 3.24Å; E209-H413 WeakPolarHBondContact CG-NE2 3.28Å; E209-H413 IonicContact OE1-CE1 2.8Å; E209-H413 PolarHBondContact OE1-CE1 3.31Å; E209-H413 IonicContact OE1-NE2 3.67Å
210F96.6Very high84.2Confident0 Ų040.9 Ų40.90%026%0.256CS..EExtended strand (participates in β ladder)trans-105.8110.7170.4-74.4-103.1000107.8Y178 Y181 F185 F192 A194 V411 G412 I414Y178-F210 HydrophobicContact CD2-CE2 4.36Å; Y178-F210 AromaticContact CD2-CZ 3.88Å; Y178-F210 HydrophobicContact CD2-CZ 3.88Å; Y178-F210 HydrophobicContact CE2-CZ 4.2Å; Y178-F210 HydrophobicContact CG-CZ 4.12Å; Y181-F210 VanDerWaalsContact CB-CZ 3.47Å; Y181-F210 AromaticContact CD2-CD2 3.68Å; Y181-F210 HydrophobicContact CD2-CD2 3.68Å; Y181-F210 AromaticContact CD2-CE2 3.73Å; Y181-F210 HydrophobicContact CD2-CE2 3.73Å; Y181-F210 HydrophobicContact CD2-CG 4.19Å; Y181-F210 HydrophobicContact CD2-CZ 4.28Å; Y181-F210 HydrophobicContact CG-CD2 4.45Å; Y181-F210 HydrophobicContact CG-CE2 4.18Å; Y181-F210 HydrophobicContact CG-CZ 4.3Å; F185-F210 HydrophobicContact CD2-CB 4.09Å; F185-F210 AromaticContact CD2-CD1 3.66Å; F185-F210 HydrophobicContact CD2-CD1 3.66Å; F185-F210 HydrophobicContact CD2-CE1 4.48Å; F185-F210 HydrophobicContact CD2-CG 4.16Å; F185-F210 HydrophobicContact CE2-CB 3.45Å; F185-F210 VanDerWaalsContact CE2-CB 3.45Å; F185-F210 AromaticContact CE2-CD1 3.61Å; F185-F210 HydrophobicContact CE2-CD1 3.61Å; F185-F210 AromaticContact CE2-CG 3.64Å; F185-F210 HydrophobicContact CE2-CG 3.64Å; F185-F210 HydrophobicContact CZ-CB 4.18Å; F192-F210 AromaticContact CD2-CD1 3.81Å; F192-F210 HydrophobicContact CD2-CD1 3.81Å; F192-F210 HydrophobicContact CD2-CE1 4.49Å; F192-F210 AromaticContact CE2-CD1 3.72Å; F192-F210 HydrophobicContact CE2-CD1 3.72Å; F192-F210 AromaticContact CE2-CE1 3.96Å; F192-F210 HydrophobicContact CE2-CE1 3.96Å; A194-F210 HydrophobicContact CB-CD1 3.99Å; A194-F210 HydrophobicContact CB-CE1 3.7Å; A194-F210 HydrophobicContact CB-CE2 4.35Å; A194-F210 HydrophobicContact CB-CG 4.44Å; A194-F210 HydrophobicContact CB-CZ 3.89Å; F210-V411 HydrophobicContact CB-CG2 4.29Å; F210-V411 WeakPolarHBondContact O-CG2 3.36Å; F210-V411 PolarHBondContact O-N 2.95Å; F210-G412 PolarHBondContact N-O 2.83Å; F210-G412 PolarHBondContact O-N 2.93Å; F210-I414 HydrophobicContact CE2-CD1 4.14Å; F210-I414 HydrophobicContact CE2-CG1 4.19Å; F210-I414 HydrophobicContact CE2-CG2 4.41Å
211Q95.7Very high85.2Confident0 Ų038.8 Ų38.80%023%0.234CC..EExtended strand (participates in β ladder)trans-110.4116.3-169.5-69.6-72.4-6.400109.7F192 R193 V195 E209 D219 V221 G408 I409F192-Q211 CarbonylContact C-O 3.46Å; F192-Q211 WeakPolarHBondContact CA-O 3.34Å; F192-Q211 WeakPolarHBondContact CB-O 3.45Å; R193-Q211 PolarHBondContact N-O 2.81Å; R193-Q211 PolarHBondContact O-N 2.88Å; V195-Q211 HydrophobicContact CG2-CG 3.74Å; E209-Q211 HydrophobicContact CB-CG 4.14Å; E209-Q211 PolarHBondContact OE2-NE2 3.02Å; Q211-D219 PolarHBondContact NE2-OD2 2.98Å; Q211-D219 PolarHBondContact OE1-OD2 2.89Å; Q211-V221 HydrophobicContact CB-CG2 3.82Å; Q211-V221 HydrophobicContact CG-CG2 3.73Å; Q211-G408 PolarHBondContact OE1-O 3.38Å; Q211-I409 PolarHBondContact OE1-O 3.19Å
212V95.9Very high86.7Confident0 Ų033.2 Ų33.20%020%0.196CC..EExtended strand (participates in β ladder)trans-80.4123171.1169.30000108.5L190 F192 A214 G408 I409 V411 A454 Q458L190-V212 HydrophobicContact CB-CG2 4.32Å; L190-V212 HydrophobicContact CD1-CG2 3.95Å; F192-V212 HydrophobicContact CB-CG2 4.2Å; V212-A214 PolarHBondContact O-N 3.24Å; V212-G408 CarbonylContact O-C 3.55Å; V212-G408 WeakPolarHBondContact O-CA 3.39Å; V212-I409 PolarHBondContact N-O 3.34Å; V212-I409 PolarHBondContact O-N 3.29Å; V212-V411 HydrophobicContact CB-CG1 4.18Å; V212-V411 HydrophobicContact CG2-CB 4.28Å; V212-V411 HydrophobicContact CG2-CG1 3.69Å; V212-V411 HydrophobicContact CG2-CG2 3.61Å; V212-A454 HydrophobicContact CB-CB 4.1Å; V212-A454 HydrophobicContact CG1-CB 3.95Å; V212-A454 HydrophobicContact CG2-CB 4.31Å; V212-Q458 HydrophobicContact CG1-CG 3.72Å; V212-Q458 VanDerWaalsContact CG1-NE2 3.3Å
213L93.4Very high88.2Confident20 Ų2031.4 Ų31.411%0.10519%0.186CC..EExtended strand (participates in β ladder)trans-73.2112-173.4-57.9-175.4000111.1D191 R193 K406 Q458D191-L213 PolarHBondContact O-N 3.02Å; R193-L213 HydrophobicContact CG-CD1 4.27Å; R193-L213 HydrophobicContact CG-CD2 4.31Å; L213-K406 HydrophobicContact CD1-CD 4.21Å; L213-Q458 WeakPolarHBondContact O-CG 3.43Å; L213-Q458 PolarHBondContact O-NE2 3.12Å
214A92.5Very high89.7Confident11 Ų1130.8 Ų30.89%0.09118%0.179CC..  trans-153.6142.2179.900000110.9V212 S216 G217 R407 I409 E457V212-A214 PolarHBondContact O-N 3.24Å; A214-S216 PolarHBondContact O-N 3.06Å; A214-S216 VanDerWaalsContact O-N 3.15Å; A214-G217 PolarHBondContact O-N 3.47Å; A214-R407 PolarHBondContact N-O 3Å; A214-R407 CarbonylContact O-C 3.59Å; A214-R407 WeakPolarHBondContact O-CB 3.34Å; A214-R407 VanDerWaalsContact O-O 3.09Å; A214-I409 HydrophobicContact CB-CD1 3.67Å; A214-I409 HydrophobicContact CB-CG1 4.2Å; A214-E457 HydrophobicContact CB-CB 3.96Å
215Q88.2Confident90.9Very high179 Ų17932.6 Ų32.684%0.83618%0.18SC*.THydrogen-bonded Turntrans-62.3-23.9-179-69.2-175.3-8.200113.8G217 R407Q215-G217 VanDerWaalsContact C-N 3.28Å; Q215-R407 WeakPolarHBondContact O-CD 3.5Å
216S88.9Confident91.7Very high28 Ų2833 Ų3320%0.19618%0.179CC..THydrogen-bonded Turntrans-83.1-0.8176.151.10000113.9A214 E457A214-S216 PolarHBondContact O-N 3.06Å; A214-S216 VanDerWaalsContact O-N 3.15Å; S216-E457 WeakPolarHBondContact CB-OE2 3.48Å; S216-E457 WeakPolarHBondContact OG-CG 3.47Å; S216-E457 PolarHBondContact OG-OE2 3.46Å
217G86.8Confident92.2Very high1 Ų132.4 Ų32.41%0.0117%0.173CC..  trans-55.8140.9172.800000112.7A214 Q215 R407 G408A214-G217 PolarHBondContact O-N 3.47Å; Q215-G217 VanDerWaalsContact C-N 3.28Å; G217-R407 WeakPolarHBondContact O-CD 3.46Å; G217-G408 CarbonylContact C-O 3.55Å; G217-G408 WeakPolarHBondContact CA-O 3.37Å
218E86.5Confident92Very high81 Ų8139 Ų3938%0.37921%0.207SC..SBendtrans-84.4-20.6174.1-60.6-162.5105.900111.4R146 F147 R151 G408R146-E218 IonicContact CZ-OE1 2.83Å; R146-E218 VanDerWaalsContact CZ-OE1 3.23Å; R146-E218 IonicContact NE-OE1 3.63Å; R146-E218 PolarHBondContact NE-OE1 3.18Å; R146-E218 IonicContact NH2-OE1 2.67Å; R146-E218 PolarHBondContact NH2-OE1 2.73Å; F147-E218 HydrophobicContact CD2-CG 4.47Å; F147-E218 HydrophobicContact CE2-CG 4.04Å; F147-E218 WeakPolarHBondContact CE2-OE1 3.39Å; R151-E218 IonicContact NH1-OE1 3.29Å; R151-E218 IonicContact NH1-OE2 2.87Å; R151-E218 PolarHBondContact NH1-OE2 3.32Å; E218-G408 PolarHBondContact N-O 3.36Å
219D89.2Confident91.9Very high41 Ų4138.3 Ų38.322%0.21920%0.203CC..EExtended strand (participates in β ladder)trans-98.3137.7-176.4-52.5-46.5000111.2Q211 R407 G408 E410Q211-D219 PolarHBondContact NE2-OD2 2.98Å; Q211-D219 PolarHBondContact OE1-OD2 2.89Å; D219-R407 CarbonylContact O-C 3.58Å; D219-R407 VanDerWaalsContact O-CA 3.32Å; D219-R407 WeakPolarHBondContact O-CA 3.47Å; D219-G408 PolarHBondContact N-O 3.49Å; D219-G408 PolarHBondContact O-N 3.01Å; D219-E410 WeakPolarHBondContact OD2-CB 3.47Å
220D92.1Very high91.8Very high55 Ų5538 Ų3829%0.29420%0.203SC..EExtended strand (participates in β ladder)trans-90.9115168.3-71-45.3000109.2I233 I405 R407D220-I233 HydrophobicContact CB-CB 4.01Å; D220-I233 HydrophobicContact CB-CD1 4Å; D220-I233 HydrophobicContact CB-CG2 3.91Å; D220-I233 WeakPolarHBondContact O-CB 3.39Å; D220-I233 PolarHBondContact O-N 3.17Å; D220-I405 HydrophobicContact CB-CG2 3.93Å; D220-R407 IonicContact OD1-NE 2.74Å
221V92.1Very high91.6Very high0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-102121.5-176.6-173.10000109.1V195 Q211 I405 K406V195-V221 HydrophobicContact CB-CG1 4.31Å; V195-V221 HydrophobicContact CG1-CG1 3.3Å; V195-V221 HydrophobicContact CG2-CG1 4.43Å; Q211-V221 HydrophobicContact CB-CG2 3.82Å; Q211-V221 HydrophobicContact CG-CG2 3.73Å; V221-I405 WeakPolarHBondContact O-CA 3.3Å; V221-K406 WeakPolarHBondContact CA-O 3.48Å; V221-K406 WeakPolarHBondContact CB-O 3.2Å; V221-K406 PolarHBondContact N-O 2.77Å; V221-K406 PolarHBondContact O-N 3.27Å
222V94Very high91.5Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-98.9132.7-179.1-176.10000108.7Y229 A230 A231 I233 A236 V390 L403 L404 I405V222-Y229 HydrophobicContact CG1-CE1 4.42Å; V222-A230 CarbonylContact O-C 3.57Å; V222-A230 WeakPolarHBondContact O-CA 3.46Å; V222-A231 WeakPolarHBondContact CA-O 3.4Å; V222-A231 WeakPolarHBondContact CB-O 3.17Å; V222-A231 PolarHBondContact N-O 3.45Å; V222-A231 PolarHBondContact O-N 3.21Å; V222-I233 HydrophobicContact CG2-CB 4.02Å; V222-I233 HydrophobicContact CG2-CG1 4.15Å; V222-A236 HydrophobicContact CB-CB 3.89Å; V222-A236 HydrophobicContact CG1-CB 4.01Å; V222-A236 HydrophobicContact CG2-CB 3.76Å; V222-V390 HydrophobicContact CB-CG2 4.37Å; V222-V390 HydrophobicContact CG1-CG2 3.91Å; V222-V390 HydrophobicContact CG2-CG2 3.55Å; V222-L403 HydrophobicContact CG1-CB 3.95Å; V222-L403 HydrophobicContact CG1-CD1 3.83Å; V222-L403 HydrophobicContact CG1-CD2 3.8Å; V222-L403 HydrophobicContact CG1-CG 4.06Å; V222-L404 WeakPolarHBondContact CA-O 3.25Å; V222-I405 HydrophobicContact CG2-CG1 4.36Å
223F92.9Very high91.4Very high9 Ų939.4 Ų39.44%0.03921%0.21CC..EExtended strand (participates in β ladder)trans-148.6151.8174.154-81.3000111.5Y229 A230 L404 K406F223-Y229 CarbonylContact C-O 3.46Å; F223-Y229 WeakPolarHBondContact CA-O 3.43Å; F223-Y229 WeakPolarHBondContact CB-O 3.27Å; F223-A230 HydrophobicContact CB-CB 4.01Å; F223-L404 HydrophobicContact CD2-CB 4.1Å; F223-L404 HydrophobicContact CD2-CD1 4.32Å; F223-L404 HydrophobicContact CE1-CB 4.19Å; F223-L404 HydrophobicContact CE2-CB 3.56Å; F223-L404 HydrophobicContact CE2-CD1 3.59Å; F223-L404 HydrophobicContact CE2-CG 4.19Å; F223-L404 HydrophobicContact CZ-CB 3.56Å; F223-L404 HydrophobicContact CZ-CD1 4.21Å; F223-L404 PolarHBondContact N-O 3.13Å; F223-L404 PolarHBondContact O-N 2.69Å; F223-K406 HydrophobicContact CE1-CB 3.79Å; F223-K406 HydrophobicContact CE1-CD 3.7Å; F223-K406 HydrophobicContact CE1-CG 3.63Å; F223-K406 HydrophobicContact CZ-CB 4.3Å; F223-K406 HydrophobicContact CZ-CD 3.42Å; F223-K406 VanDerWaalsContact CZ-CD 3.42Å; F223-K406 HydrophobicContact CZ-CG 3.61Å
224S93.5Very high91.3Very high5 Ų542.3 Ų42.34%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-69.3145.5174.4175.50000111.1T226 S227 Y229 Q400S224-T226 VanDerWaalsContact C-N 3.26Å; S224-T226 PolarHBondContact OG-N 3.29Å; S224-T226 PolarHBondContact OG-OG1 3.34Å; S224-S227 WeakPolarHBondContact CB-OG 3.39Å; S224-S227 PolarHBondContact OG-N 2.85Å; S224-S227 PolarHBondContact OG-OG 3.37Å; S224-Y229 PolarHBondContact N-O 3.4Å; S224-Q400 PolarHBondContact OG-O 3.42Å
225D92.9Very high91.2Very high77 Ų7744.3 Ų44.341%0.41223%0.232SC..SBendtrans-76.1-10.3169.562.9-2.7000113.7G401 T402 L404D225-G401 WeakPolarHBondContact OD1-CA 3.3Å; D225-T402 PolarHBondContact N-O 2.81Å; D225-T402 PolarHBondContact OD1-N 2.75Å; D225-T402 PolarHBondContact OD2-N 3.14Å; D225-T402 PolarHBondContact OD2-OG1 2.98Å; D225-L404 HydrophobicContact CB-CD1 3.87Å; D225-L404 HydrophobicContact CB-CG 4.15Å
226T91.7Very high91.5Very high93 Ų9335.8 Ų35.857%0.57119%0.192SC*.SBendtrans-129.5-27.5-175.756.10000115S224 Q400 G401S224-T226 VanDerWaalsContact C-N 3.26Å; S224-T226 PolarHBondContact OG-N 3.29Å; S224-T226 PolarHBondContact OG-OG1 3.34Å; T226-Q400 PolarHBondContact OG1-O 3.49Å; T226-G401 VanDerWaalsContact OG1-CA 3.29Å; T226-G401 WeakPolarHBondContact OG1-CA 3.41Å; T226-G401 PolarHBondContact OG1-N 2.86Å
227S92Very high91.8Very high20 Ų2038.2 Ų38.214%0.1420%0.2CC..SBendtrans-111.5-176-179.975.40000113S224 Y229 D398S224-S227 WeakPolarHBondContact CB-OG 3.39Å; S224-S227 PolarHBondContact OG-N 2.85Å; S224-S227 PolarHBondContact OG-OG 3.37Å; S227-Y229 VanDerWaalsContact C-N 3.31Å; S227-Y229 WeakPolarHBondContact OG-CB 3.06Å; S227-Y229 PolarHBondContact OG-N 3.02Å; S227-D398 WeakPolarHBondContact CB-OD2 3.39Å; S227-D398 PolarHBondContact OG-OD2 3.47Å
228D88.3Confident92.2Very high143 Ų14338.2 Ų38.277%0.76520%0.2SC*.SBendtrans-86.41.8173.661.2-19.1000113.3A230D228-A230 PolarHBondContact O-N 3.44Å
229Y92.1Very high92.6Very high28 Ų2836.5 Ų36.511%0.1119%0.193CC..  trans-56125176178.7-99.7000110.6V222 F223 S224 S227 A231 A236 P397 L403V222-Y229 HydrophobicContact CG1-CE1 4.42Å; F223-Y229 CarbonylContact C-O 3.46Å; F223-Y229 WeakPolarHBondContact CA-O 3.43Å; F223-Y229 WeakPolarHBondContact CB-O 3.27Å; S224-Y229 PolarHBondContact N-O 3.4Å; S227-Y229 VanDerWaalsContact C-N 3.31Å; S227-Y229 WeakPolarHBondContact OG-CB 3.06Å; S227-Y229 PolarHBondContact OG-N 3.02Å; Y229-A231 HydrophobicContact CE1-CB 4.33Å; Y229-A231 HydrophobicContact CE2-CB 4.45Å; Y229-A231 WeakPolarHBondContact OH-CB 3.34Å; Y229-A236 WeakPolarHBondContact OH-CA 3.3Å; Y229-P397 HydrophobicContact CD1-CG 4.16Å; Y229-P397 HydrophobicContact CD2-CG 4.01Å; Y229-P397 HydrophobicContact CE1-CG 3.65Å; Y229-P397 HydrophobicContact CE2-CG 3.48Å; Y229-P397 VanDerWaalsContact CE2-CG 3.48Å; Y229-P397 HydrophobicContact CG-CG 4.32Å; Y229-L403 HydrophobicContact CD1-CD2 3.86Å; Y229-L403 HydrophobicContact CE1-CD2 3.86Å
230A92.3Very high92.7Very high7 Ų736.7 Ų36.76%0.05820%0.201CC..EExtended strand (participates in β ladder)trans-150.3132.8172.800000110.7V195 Q196 V222 F223 D228V195-A230 WeakPolarHBondContact CA-O 3.41Å; V195-A230 HydrophobicContact CB-CB 4.22Å; V195-A230 HydrophobicContact CG1-CB 3.53Å; Q196-A230 PolarHBondContact N-O 3.28Å; V222-A230 CarbonylContact O-C 3.57Å; V222-A230 WeakPolarHBondContact O-CA 3.46Å; F223-A230 HydrophobicContact CB-CB 4.01Å; D228-A230 PolarHBondContact O-N 3.44Å
231A93Very high92.5Very high0 Ų036.8 Ų36.80%020%0.204CC..EExtended strand (participates in β ladder)trans-146.1152.3-179.300000110.7Q196 V222 Y229 A236Q196-A231 HydrophobicContact CB-CB 4.26Å; Q196-A231 CarbonylContact O-C 3.41Å; Q196-A231 WeakPolarHBondContact O-CA 3.29Å; V222-A231 WeakPolarHBondContact CA-O 3.4Å; V222-A231 WeakPolarHBondContact CB-O 3.17Å; V222-A231 PolarHBondContact N-O 3.45Å; V222-A231 PolarHBondContact O-N 3.21Å; Y229-A231 HydrophobicContact CE1-CB 4.33Å; Y229-A231 HydrophobicContact CE2-CB 4.45Å; Y229-A231 WeakPolarHBondContact OH-CB 3.34Å; A231-A236 HydrophobicContact CB-CB 4.04Å
232N92.8Very high92.3Very high4 Ų445.9 Ų45.92%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-62.8143.3162.9-170.4-52.4000108.7Q196 E209 E234 L235 A236Q196-N232 PolarHBondContact O-N 2.83Å; E209-N232 PolarHBondContact OE2-ND2 2.97Å; N232-E234 PolarHBondContact O-N 3.46Å; N232-E234 VanDerWaalsContact O-N 3.07Å; N232-E234 WeakPolarHBondContact OD1-CG 3.38Å; N232-E234 PolarHBondContact OD1-N 2.9Å; N232-L235 PolarHBondContact O-N 3.44Å; N232-A236 PolarHBondContact O-N 2.92Å
233I94.2Very high91.8Very high25 Ų2553.7 Ų53.713%0.12828%0.28CS..THydrogen-bonded Turntrans-53.6-29.9178.8-161.3166.4000112.6D220 V222 L235 N305 N389 V390 I405D220-I233 HydrophobicContact CB-CB 4.01Å; D220-I233 HydrophobicContact CB-CD1 4Å; D220-I233 HydrophobicContact CB-CG2 3.91Å; D220-I233 WeakPolarHBondContact O-CB 3.39Å; D220-I233 PolarHBondContact O-N 3.17Å; V222-I233 HydrophobicContact CG2-CB 4.02Å; V222-I233 HydrophobicContact CG2-CG1 4.15Å; I233-L235 PolarHBondContact O-N 2.73Å; I233-N305 PolarHBondContact O-ND2 3.2Å; I233-N389 HydrophobicContact CD1-CB 4.11Å; I233-N389 HydrophobicContact CG1-CB 4.14Å; I233-V390 HydrophobicContact CG1-CG2 4.22Å; I233-I405 HydrophobicContact CD1-CD1 4.46Å
234E91.7Very high91.5Very high81 Ų8158.9 Ų58.938%0.37932%0.315SS..THydrogen-bonded Turntrans-61.8-31.4176.2-67.5-178.5167.900112.5N232 N305 V307N232-E234 PolarHBondContact O-N 3.46Å; N232-E234 VanDerWaalsContact O-N 3.07Å; N232-E234 WeakPolarHBondContact OD1-CG 3.38Å; N232-E234 PolarHBondContact OD1-N 2.9Å; E234-N305 WeakPolarHBondContact CA-ND2 3.41Å; E234-N305 PolarHBondContact O-ND2 2.89Å; E234-N305 PolarHBondContact O-OD1 2.85Å; E234-V307 HydrophobicContact CB-CB 4.18Å; E234-V307 HydrophobicContact CB-CG1 4.47Å; E234-V307 HydrophobicContact CB-CG2 3.99Å; E234-V307 HydrophobicContact CG-CG2 3.97Å
235L91Very high91.4Very high53 Ų5362.7 Ų62.728%0.27733%0.329SS..THydrogen-bonded Turntrans-105.3-24.2-179.8-167.870.3000113.7Q196 N232 I233 E237Q196-L235 HydrophobicContact CB-CD2 3.63Å; N232-L235 PolarHBondContact O-N 3.44Å; I233-L235 PolarHBondContact O-N 2.73Å; L235-E237 PolarHBondContact O-N 3.02Å; L235-E237 VanDerWaalsContact O-N 3.13Å
236A93.6Very high91.4Very high0 Ų061.8 Ų61.80%033%0.332CS..  trans-56117.6-171.800000112.3V222 Y229 A231 N232 A238 K308 V390V222-A236 HydrophobicContact CB-CB 3.89Å; V222-A236 HydrophobicContact CG1-CB 4.01Å; V222-A236 HydrophobicContact CG2-CB 3.76Å; Y229-A236 WeakPolarHBondContact OH-CA 3.3Å; A231-A236 HydrophobicContact CB-CB 4.04Å; N232-A236 PolarHBondContact O-N 2.92Å; A236-A238 PolarHBondContact O-N 2.95Å; A236-K308 VanDerWaalsContact O-CE 3.28Å; A236-K308 WeakPolarHBondContact O-CE 3.25Å; A236-K308 PolarHBondContact O-NZ 2.58Å; A236-V390 HydrophobicContact CB-CG1 4.21Å; A236-V390 HydrophobicContact CB-CG2 3.76Å; A236-V390 WeakPolarHBondContact O-CG1 3.43Å
237E94.8Very high91.5Very high79 Ų7961.2 Ų61.237%0.36934%0.337SS..  trans-69129.4-174179.9176-167.700111.4L235 R351 D386 V390 P397L235-E237 PolarHBondContact O-N 3.02Å; L235-E237 VanDerWaalsContact O-N 3.13Å; E237-R351 IonicContact OE1-CZ 2.72Å; E237-R351 VanDerWaalsContact OE1-CZ 3.3Å; E237-R351 IonicContact OE1-NH1 3.55Å; E237-R351 PolarHBondContact OE1-NH1 2.82Å; E237-R351 IonicContact OE1-NH2 3.63Å; E237-R351 PolarHBondContact OE1-NH2 3.42Å; E237-D386 WeakPolarHBondContact CA-OD2 3.48Å; E237-V390 WeakPolarHBondContact O-CG1 3.47Å; E237-P397 HydrophobicContact CB-CB 4.04Å; E237-P397 HydrophobicContact CB-CG 4.45Å
238A96.1Very high91.7Very high1 Ų162.6 Ų62.61%0.00835%0.349CS..  trans-91.4105.1170.700000110A236 R351 D386 R388 V390A236-A238 PolarHBondContact O-N 2.95Å; A238-R351 WeakPolarHBondContact O-CD 3.49Å; A238-R351 PolarHBondContact O-NH1 3.04Å; A238-D386 WeakPolarHBondContact CB-OD1 3.48Å; A238-D386 PolarHBondContact N-OD2 2.94Å; A238-R388 HydrophobicContact CB-CG 3.66Å; A238-V390 HydrophobicContact CB-CG1 3.97Å
239I94.2Very high92.1Very high45 Ų4561.1 Ų61.123%0.23135%0.345CS..PPolyproline II helixtrans-65.6143-178.5-43.7175000110.5P395 S396 P397I239-P395 HydrophobicContact CB-CG 4.45Å; I239-P395 HydrophobicContact CD1-CB 4.08Å; I239-P395 HydrophobicContact CD1-CG 4.03Å; I239-P395 WeakPolarHBondContact CD1-O 3.36Å; I239-S396 VanDerWaalsContact CD1-O 3.26Å; I239-S396 WeakPolarHBondContact CD1-O 3.48Å; I239-P397 VanDerWaalsContact CD1-CA 3.45Å; I239-P397 HydrophobicContact CD1-CB 4.38Å; I239-P397 HydrophobicContact CG1-CB 4.18Å
240A91.3Very high92.2Very high46 Ų4664.6 Ų64.638%0.3836%0.362SS..PPolyproline II helixtrans-59.4142.6170.300000111.6K242 R351A240-K242 PolarHBondContact O-N 3.23Å; A240-R351 HydrophobicContact CB-CB 3.93Å; A240-R351 HydrophobicContact CB-CG 4.23Å
241P89.1Confident92.4Very high56 Ų5672.2 Ų72.236%0.36440%0.397SS..PPolyproline II helixtrans-54134.9171.5-26.135.8000111.5E243 T352 A355P241-E243 VanDerWaalsContact C-N 3.34Å; P241-T352 HydrophobicContact CG-CG2 4.01Å; P241-A355 HydrophobicContact CB-CB 4.11Å; P241-A355 HydrophobicContact CG-CB 3.88Å
242K86.6Confident92.7Very high191 Ų19175.1 Ų75.183%0.8341%0.411SS*.SBendtrans-74.8-25.9178.8-68.1-176-178.7176.80112.9A240A240-K242 PolarHBondContact O-N 3.23Å
243E84.4Confident92.9Very high164 Ų16478.3 Ų78.377%0.76643%0.431SS*.SBendtrans-74.5138.3-179-62.7-150.3161.900111.1P241P241-E243 VanDerWaalsContact C-N 3.34Å
244P85.5Confident93.1Very high119 Ų11981 Ų8177%0.77345%0.445SS*.PPolyproline II helixtrans-62.8146.7175.627.2-33.5000110.5A246P244-A246 PolarHBondContact O-N 3.38Å
245R92.5Very high93.3Very high85 Ų8578.6 Ų78.632%0.32144%0.436SS..PPolyproline II helixtrans-50.4124.2173.9-174.3-171.3-64.8164.7-7.1109.5A354 M356 W375 D376 T381R245-A354 PolarHBondContact NE-O 2.86Å; R245-A354 PolarHBondContact NH2-O 3.35Å; R245-M356 WeakPolarHBondContact CG-O 3.4Å; R245-W375 VanDerWaalsContact CZ-CB 3.44Å; R245-D376 IonicContact CZ-OD2 3.7Å; R245-D376 IonicContact NH1-OD2 2.8Å; R245-D376 PolarHBondContact NH1-OD2 2.66Å; R245-T381 PolarHBondContact NH1-OG1 3.01Å; R245-T381 PolarHBondContact NH2-OG1 2.86Å
246A93Very high93.5Very high58 Ų5881 Ų8148%0.47945%0.449SS..PPolyproline II helixtrans-64.7149.9179.500000111.3P244 S357P244-A246 PolarHBondContact O-N 3.38Å; A246-S357 VanDerWaalsContact O-CB 3.24Å; A246-S357 WeakPolarHBondContact O-CB 3.23Å
247A93.5Very high93.6Very high81 Ų8181 Ų8167%0.66945%0.45SS*.PPolyproline II helixtrans-65.9150.8176.900000111.2T249A247-T249 PolarHBondContact O-N 3.43Å
248A95.8Very high93.4Very high49 Ų4981.4 Ų81.441%0.40546%0.459SS..PPolyproline II helixtrans-64.9128.1176.700000111.3N374A248-N374 WeakPolarHBondContact CA-OD1 3.49Å; A248-N374 HydrophobicContact CB-CB 3.98Å; A248-N374 WeakPolarHBondContact CB-OD1 3.15Å
249T96.6Very high93Very high111 Ų11187 Ų8768%0.68149%0.488SS*.  trans-117.6-13.6178.569.70000113.5A247 D358A247-T249 PolarHBondContact O-N 3.43Å; T249-D358 WeakPolarHBondContact CB-OD2 3.33Å; T249-D358 PolarHBondContact N-OD1 3.25Å; T249-D358 PolarHBondContact N-OD2 3.08Å; T249-D358 PolarHBondContact OG1-OD2 2.71Å
250Q95.2Very high92.6Very high101 Ų10184.9 Ų84.947%0.47248%0.478SS..SBendtrans-123.3143.9-178-58.8179.125.700110.8D358 R377Q250-D358 HydrophobicContact CB-CB 4.28Å; Q250-D358 HydrophobicContact CG-CB 4.18Å; Q250-D358 PolarHBondContact N-OD1 3.22Å; Q250-R377 VanDerWaalsContact O-CZ 3.29Å; Q250-R377 PolarHBondContact O-NH1 2.96Å; Q250-R377 PolarHBondContact O-NH2 2.82Å
251E96.3Very high92.3Very high167 Ų16790 Ų9078%0.7849%0.491SS*.  trans-74147.7167.1-68.1-170.1165.800110.4T253E251-T253 PolarHBondContact O-N 2.89Å
252M98Very high92.3Very high61 Ų6190.7 Ų90.730%0.350%0.495SS..  trans-72.3119.4176.6-174.817965.400110.3V341 Y370 F371 I373 D378M252-V341 HydrophobicContact CE-CG1 4.38Å; M252-V341 HydrophobicContact SD-CG1 4.36Å; M252-V341 HydrophobicContact SD-CG2 3.99Å; M252-Y370 HydrophobicContact CE-CD1 4.34Å; M252-Y370 HydrophobicContact CE-CE1 4.33Å; M252-Y370 HydrophobicContact CG-CD1 3.84Å; M252-Y370 HydrophobicContact CG-CG 4.14Å; M252-Y370 HydrophobicContact SD-CD1 3.96Å; M252-Y370 HydrophobicContact SD-CD2 4.48Å; M252-Y370 HydrophobicContact SD-CE1 4.49Å; M252-Y370 HydrophobicContact SD-CG 3.97Å; M252-F371 CarbonylContact C-O 3.56Å; M252-F371 VanDerWaalsContact CA-O 3.3Å; M252-F371 WeakPolarHBondContact CA-O 3.47Å; M252-I373 HydrophobicContact CG-CG1 4.26Å; M252-I373 HydrophobicContact SD-CG1 4.16Å; M252-D378 HydrophobicContact CE-CB 4.12Å; M252-D378 HydrophobicContact SD-CB 3.78Å
253T97.5Very high92.4Very high71 Ų7182.9 Ų82.944%0.43646%0.462SS..EExtended strand (participates in β ladder)trans-121.1139.4-179.758.60000111.8E251 Y370 F371E251-T253 PolarHBondContact O-N 2.89Å; T253-Y370 CarbonylContact O-C 3.35Å; T253-Y370 WeakPolarHBondContact O-CA 3.32Å; T253-F371 PolarHBondContact N-O 2.9Å; T253-F371 PolarHBondContact O-N 3.2Å
254L97.9Very high92.7Very high81 Ų8178.3 Ų78.342%0.42445%0.453SS..EExtended strand (participates in β ladder)trans-83.8122.7172.6-173.667.5000109.9A363 K368 Y370L254-A363 HydrophobicContact CD1-CB 3.43Å; L254-A363 VanDerWaalsContact CD1-CB 3.43Å; L254-K368 HydrophobicContact CD1-CB 3.89Å; L254-K368 HydrophobicContact CD1-CD 4.07Å; L254-K368 HydrophobicContact CD2-CD 3.83Å; L254-K368 HydrophobicContact CG-CD 4Å; L254-Y370 HydrophobicContact CB-CD1 4.15Å; L254-Y370 HydrophobicContact CB-CE1 3.9Å; L254-Y370 HydrophobicContact CD1-CD1 3.96Å; L254-Y370 HydrophobicContact CD1-CE1 3.66Å; L254-Y370 HydrophobicContact CD1-CE2 4.48Å; L254-Y370 HydrophobicContact CD1-CG 4.49Å; L254-Y370 HydrophobicContact CG-CE1 4.32Å
255V96.5Very high92.9Very high31 Ų3175.9 Ų75.919%0.18843%0.431CS..EExtended strand (participates in β ladder)trans-118.3135.3-175.6-177.30000109.7T257 F270 K368 H369 F371V255-T257 HydrophobicContact CG1-CG2 4.29Å; V255-F270 HydrophobicContact CG1-CD1 4.23Å; V255-F270 HydrophobicContact CG1-CE1 3.59Å; V255-F270 HydrophobicContact CG1-CZ 4.2Å; V255-K368 VanDerWaalsContact O-CA 3.28Å; V255-K368 WeakPolarHBondContact O-CA 3.48Å; V255-H369 PolarHBondContact N-O 3.46Å; V255-H369 PolarHBondContact O-N 2.7Å; V255-F371 HydrophobicContact CB-CD1 4.49Å; V255-F371 HydrophobicContact CB-CE1 4.44Å; V255-F371 HydrophobicContact CB-CZ 4.49Å; V255-F371 HydrophobicContact CG1-CE2 4.36Å; V255-F371 HydrophobicContact CG1-CZ 4.31Å; V255-F371 HydrophobicContact CG2-CB 4.23Å; V255-F371 HydrophobicContact CG2-CD1 4.22Å; V255-F371 HydrophobicContact CG2-CD2 3.9Å; V255-F371 HydrophobicContact CG2-CE2 4.27Å; V255-F371 HydrophobicContact CG2-CG 3.86Å
256D96.3Very high92.8Very high104 Ų10472 Ų7256%0.55642%0.416SS*.EExtended strand (participates in β ladder)trans-76.7121.9174-68.1-41.5000110.4P258 K368D256-P258 VanDerWaalsContact C-CD 3.47Å; D256-K368 WeakPolarHBondContact OD1-CE 3.36Å; D256-K368 IonicContact OD1-NZ 2.79Å; D256-K368 PolarHBondContact OD1-NZ 3.25Å
257T94.3Very high92.8Very high1 Ų171.2 Ų71.21%0.00641%0.405CS..  trans-131.854.5-176.8640000111.4V255 N259 A260 L266 F270 G367 K368 H369V255-T257 HydrophobicContact CG1-CG2 4.29Å; T257-N259 PolarHBondContact O-N 3.42Å; T257-N259 VanDerWaalsContact O-N 3.12Å; T257-A260 PolarHBondContact O-N 2.89Å; T257-L266 HydrophobicContact CG2-CD1 4.06Å; T257-F270 HydrophobicContact CG2-CE1 4.49Å; T257-F270 HydrophobicContact CG2-CE2 3.73Å; T257-F270 HydrophobicContact CG2-CZ 3.69Å; T257-G367 CarbonylContact C-O 3.5Å; T257-G367 VanDerWaalsContact C-O 3.3Å; T257-G367 WeakPolarHBondContact CA-O 3.33Å; T257-G367 PolarHBondContact N-O 2.85Å; T257-G367 PolarHBondContact OG1-O 3.27Å; T257-K368 WeakPolarHBondContact OG1-CA 3.36Å; T257-K368 PolarHBondContact OG1-N 3.38Å; T257-H369 HydrophobicContact CG2-CB 3.92Å; T257-H369 PolarHBondContact OG1-ND1 2.75Å
258P90.2Very high92.7Very high87 Ų8775.2 Ų75.257%0.56541%0.41SS*.THydrogen-bonded Turntrans-63.3-23-172.526.4-35.7000113.8D256D256-P258 VanDerWaalsContact C-CD 3.47Å
259N88.3Confident92.5Very high117 Ų11777.3 Ų77.363%0.62641%0.412SS*.THydrogen-bonded Turntrans-11512.8-175-59.1-34.7000113.5T257 Q269T257-N259 PolarHBondContact O-N 3.42Å; T257-N259 VanDerWaalsContact O-N 3.12Å; N259-Q269 PolarHBondContact O-NE2 3.47Å
260A85.8Confident92.3Very high2 Ų275.2 Ų75.22%0.01739%0.393CS..  trans-118.8101.8175.600000109.4T257 E265 L266 F270T257-A260 PolarHBondContact O-N 2.89Å; A260-E265 HydrophobicContact CB-CB 4.02Å; A260-L266 HydrophobicContact CB-CB 4.39Å; A260-L266 HydrophobicContact CB-CD1 4.14Å; A260-F270 HydrophobicContact CB-CE2 4.5Å
261K84.2Confident92.2Very high152 Ų15277.6 Ų77.666%0.66141%0.409SS*.  trans-106.7-21176.8-65.1-171.7177.2-1730112.4E265 G336K261-E265 PolarHBondContact N-OE2 3.4Å; K261-G336 VanDerWaalsContact O-CA 3.3Å; K261-G336 WeakPolarHBondContact O-CA 3.5Å
262T89.6Confident92Very high72 Ų7271.3 Ų71.344%0.44238%0.381SS..SBendtrans-110.1158.7177.767.80000111.3A264 E265 L266T262-A264 VanDerWaalsContact C-N 3.26Å; T262-A264 PolarHBondContact O-N 3.04Å; T262-E265 PolarHBondContact N-OE2 3.11Å; T262-E265 PolarHBondContact O-N 3.21Å; T262-E265 VanDerWaalsContact OG1-CD 3.29Å; T262-E265 VanDerWaalsContact OG1-CG 3.23Å; T262-E265 WeakPolarHBondContact OG1-CG 2.97Å; T262-E265 PolarHBondContact OG1-N 3.31Å; T262-E265 PolarHBondContact OG1-OE2 2.89Å; T262-E265 VanDerWaalsContact OG1-OE2 3.11Å; T262-L266 PolarHBondContact O-N 3.23Å
263I90Very high91.8Very high26 Ų2671.7 Ų71.713%0.13339%0.388CS..Hα-helixtrans-59.2-40.6173.8-63.8-58.8000111.2E265 L266 V267 I274 T277 K279I263-E265 PolarHBondContact O-N 2.94Å; I263-L266 PolarHBondContact O-N 3.47Å; I263-V267 HydrophobicContact CG2-CG2 4.14Å; I263-V267 WeakPolarHBondContact O-CB 3.26Å; I263-V267 VanDerWaalsContact O-CG2 3.32Å; I263-V267 WeakPolarHBondContact O-CG2 3.44Å; I263-V267 PolarHBondContact O-N 3.44Å; I263-I274 HydrophobicContact CG2-CD1 4.19Å; I263-I274 HydrophobicContact CG2-CG1 3.88Å; I263-T277 VanDerWaalsContact CG2-OG1 3.31Å; I263-T277 WeakPolarHBondContact CG2-OG1 3.41Å; I263-K279 HydrophobicContact CD1-CG 3.87Å; I263-K279 HydrophobicContact CG1-CD 4.21Å; I263-K279 HydrophobicContact CG1-CG 3.47Å; I263-K279 VanDerWaalsContact CG1-CG 3.47Å
264A89.3Confident91.7Very high69 Ų6971.2 Ų71.257%0.5738%0.382SS*.Hα-helixtrans-59.4-46.4178.700000111.5T262 L266 V267 E268T262-A264 VanDerWaalsContact C-N 3.26Å; T262-A264 PolarHBondContact O-N 3.04Å; A264-L266 VanDerWaalsContact C-N 3.34Å; A264-L266 PolarHBondContact O-N 2.8Å; A264-V267 PolarHBondContact O-N 2.86Å; A264-E268 WeakPolarHBondContact O-CB 3.37Å; A264-E268 PolarHBondContact O-N 2.77Å
265E90.9Very high91.5Very high68 Ų6871.8 Ų71.832%0.31838%0.382SS..Hα-helixtrans-64.1-38.7176.4-70.1162.8160.800112A260 K261 T262 I263 Q269A260-E265 HydrophobicContact CB-CB 4.02Å; K261-E265 PolarHBondContact N-OE2 3.4Å; T262-E265 PolarHBondContact N-OE2 3.11Å; T262-E265 PolarHBondContact O-N 3.21Å; T262-E265 VanDerWaalsContact OG1-CD 3.29Å; T262-E265 VanDerWaalsContact OG1-CG 3.23Å; T262-E265 WeakPolarHBondContact OG1-CG 2.97Å; T262-E265 PolarHBondContact OG1-N 3.31Å; T262-E265 PolarHBondContact OG1-OE2 2.89Å; T262-E265 VanDerWaalsContact OG1-OE2 3.11Å; I263-E265 PolarHBondContact O-N 2.94Å; E265-Q269 WeakPolarHBondContact O-CB 3.32Å; E265-Q269 WeakPolarHBondContact O-CG 3.37Å; E265-Q269 PolarHBondContact O-N 3.46Å
266L90.3Very high91.5Very high3 Ų373.3 Ų73.32%0.01639%0.387CS..Hα-helixtrans-66.1-44.9178.7-168.172.4000111.4T257 A260 T262 I263 A264 F270 L272 T277 A360 F371T257-L266 HydrophobicContact CG2-CD1 4.06Å; A260-L266 HydrophobicContact CB-CB 4.39Å; A260-L266 HydrophobicContact CB-CD1 4.14Å; T262-L266 PolarHBondContact O-N 3.23Å; I263-L266 PolarHBondContact O-N 3.47Å; A264-L266 VanDerWaalsContact C-N 3.34Å; A264-L266 PolarHBondContact O-N 2.8Å; L266-F270 HydrophobicContact CD1-CD2 3.88Å; L266-F270 HydrophobicContact CD1-CE2 4.22Å; L266-F270 WeakPolarHBondContact O-CB 3.43Å; L266-F270 PolarHBondContact O-N 3.39Å; L266-F270 VanDerWaalsContact O-N 3.11Å; L266-L272 HydrophobicContact CD2-CD1 4.36Å; L266-L272 HydrophobicContact CG-CD1 4.25Å; L266-T277 HydrophobicContact CD2-CG2 4Å; L266-A360 HydrophobicContact CD2-CB 4.29Å; L266-F371 HydrophobicContact CD1-CE1 4.12Å; L266-F371 HydrophobicContact CD1-CZ 4.16Å
267V91.9Very high91.6Very high41 Ų4168.3 Ų68.325%0.24836%0.36CS..Hα-helixtrans-60.6-48.6176164.70000110.6I263 A264 N271 L272 I274 T277I263-V267 HydrophobicContact CG2-CG2 4.14Å; I263-V267 WeakPolarHBondContact O-CB 3.26Å; I263-V267 VanDerWaalsContact O-CG2 3.32Å; I263-V267 WeakPolarHBondContact O-CG2 3.44Å; I263-V267 PolarHBondContact O-N 3.44Å; A264-V267 PolarHBondContact O-N 2.86Å; V267-N271 VanDerWaalsContact O-CA 3.24Å; V267-N271 WeakPolarHBondContact O-CA 3.48Å; V267-N271 PolarHBondContact O-N 3.22Å; V267-L272 WeakPolarHBondContact CG1-O 3.5Å; V267-L272 PolarHBondContact O-N 3.44Å; V267-I274 HydrophobicContact CG2-CB 4.01Å; V267-I274 HydrophobicContact CG2-CG1 4.19Å; V267-T277 HydrophobicContact CG2-CG2 4.05Å
268E92.4Very high91.7Very high165 Ų16568.6 Ų68.677%0.77136%0.362SS*.Hα-helixtrans-66.5-47.5-178.3-174.7178.4-172.600112.2A264A264-E268 WeakPolarHBondContact O-CB 3.37Å; A264-E268 PolarHBondContact O-N 2.77Å
269Q91.9Very high92Very high93 Ų9367.5 Ų67.544%0.43535%0.348SS..Hα-helixtrans-72.9-32.4-174-70.31762700113.2N259 E265N259-Q269 PolarHBondContact O-NE2 3.47Å; E265-Q269 WeakPolarHBondContact O-CB 3.32Å; E265-Q269 WeakPolarHBondContact O-CG 3.37Å; E265-Q269 PolarHBondContact O-N 3.46Å
270F92.6Very high92.5Very high67 Ų6763 Ų6329%0.29433%0.325SS..Hα-helixtrans-113.54.7-173.3-64.5-88.6000113.7V255 T257 A260 L266 L272 F371V255-F270 HydrophobicContact CG1-CD1 4.23Å; V255-F270 HydrophobicContact CG1-CE1 3.59Å; V255-F270 HydrophobicContact CG1-CZ 4.2Å; T257-F270 HydrophobicContact CG2-CE1 4.49Å; T257-F270 HydrophobicContact CG2-CE2 3.73Å; T257-F270 HydrophobicContact CG2-CZ 3.69Å; A260-F270 HydrophobicContact CB-CE2 4.5Å; L266-F270 HydrophobicContact CD1-CD2 3.88Å; L266-F270 HydrophobicContact CD1-CE2 4.22Å; L266-F270 WeakPolarHBondContact O-CB 3.43Å; L266-F270 PolarHBondContact O-N 3.39Å; L266-F270 VanDerWaalsContact O-N 3.11Å; F270-L272 HydrophobicContact CB-CD1 4.28Å; F270-L272 HydrophobicContact CB-CG 4.03Å; F270-L272 PolarHBondContact O-N 2.87Å; F270-F371 HydrophobicContact CB-CE2 3.84Å; F270-F371 HydrophobicContact CB-CZ 3.84Å; F270-F371 AromaticContact CD1-CE2 3.76Å; F270-F371 HydrophobicContact CD1-CE2 3.76Å; F270-F371 AromaticContact CD1-CZ 3.79Å; F270-F371 HydrophobicContact CD1-CZ 3.79Å; F270-F371 HydrophobicContact CD2-CZ 4.16Å; F270-F371 HydrophobicContact CE1-CZ 4.42Å; F270-F371 AromaticContact CG-CE2 3.9Å; F270-F371 HydrophobicContact CG-CE2 3.9Å; F270-F371 AromaticContact CG-CZ 3.65Å; F270-F371 HydrophobicContact CG-CZ 3.65Å
271N92.1Very high93Very high151 Ų15164.9 Ų64.981%0.80734%0.335SS*.THydrogen-bonded Turntrans50.741.9-179.6-168.151.3000112.3V267V267-N271 VanDerWaalsContact O-CA 3.24Å; V267-N271 WeakPolarHBondContact O-CA 3.48Å; V267-N271 PolarHBondContact O-N 3.22Å
272L91.2Very high93.7Very high35 Ų3558 Ų5818%0.18331%0.305CS..  trans-88.1139177.9-70.2177.7000110L266 V267 F270 I274 T277 A360 F371L266-L272 HydrophobicContact CD2-CD1 4.36Å; L266-L272 HydrophobicContact CG-CD1 4.25Å; V267-L272 WeakPolarHBondContact CG1-O 3.5Å; V267-L272 PolarHBondContact O-N 3.44Å; F270-L272 HydrophobicContact CB-CD1 4.28Å; F270-L272 HydrophobicContact CB-CG 4.03Å; F270-L272 PolarHBondContact O-N 2.87Å; L272-I274 PolarHBondContact O-N 3.44Å; L272-T277 HydrophobicContact CB-CG2 4.31Å; L272-T277 HydrophobicContact CD1-CG2 4.35Å; L272-A360 HydrophobicContact CD1-CB 3.63Å; L272-F371 HydrophobicContact CD1-CD1 4.42Å; L272-F371 HydrophobicContact CD1-CD2 4.32Å; L272-F371 HydrophobicContact CD1-CE1 3.91Å; L272-F371 HydrophobicContact CD1-CE2 3.8Å; L272-F371 HydrophobicContact CD1-CZ 3.58Å; L272-F371 HydrophobicContact CD2-CD2 4.4Å; L272-F371 HydrophobicContact CD2-CE2 4.29Å; L272-F371 HydrophobicContact CG-CE2 4.27Å; L272-F371 HydrophobicContact CG-CZ 4.46Å
273P94.6Very high94.1Very high70 Ų7054.6 Ų54.646%0.45528%0.284SS..  trans-57.2135.9165-19.531.4000109.7E275 K276P273-E275 WeakPolarHBondContact CB-OE2 3.32Å; P273-E275 PolarHBondContact O-N 2.99Å; P273-K276 HydrophobicContact CB-CB 4.39Å; P273-K276 HydrophobicContact CB-CG 4.13Å; P273-K276 HydrophobicContact CG-CG 4.17Å; P273-K276 WeakPolarHBondContact O-CA 3.47Å; P273-K276 WeakPolarHBondContact O-CB 3.48Å; P273-K276 PolarHBondContact O-N 2.93Å
274I95.5Very high94.4Very high60 Ų6056.8 Ų56.831%0.30829%0.293SS..G310 helixtrans-60.6-31.7-179.1-169.3169.9000111.3I263 V267 L272 K276 T277 D301I263-I274 HydrophobicContact CG2-CD1 4.19Å; I263-I274 HydrophobicContact CG2-CG1 3.88Å; V267-I274 HydrophobicContact CG2-CB 4.01Å; V267-I274 HydrophobicContact CG2-CG1 4.19Å; L272-I274 PolarHBondContact O-N 3.44Å; I274-K276 PolarHBondContact O-N 3.29Å; I274-K276 VanDerWaalsContact O-N 3.17Å; I274-T277 PolarHBondContact O-N 3.02Å; I274-T277 PolarHBondContact O-OG1 3.45Å; I274-D301 HydrophobicContact CD1-CB 3.92Å; I274-D301 HydrophobicContact CG1-CB 3.99Å; I274-D301 HydrophobicContact CG2-CB 4.03Å
275E94.6Very high94.8Very high93 Ų9354.1 Ų54.144%0.43527%0.27SS..G310 helixtrans-68.8-9.8176.3-50.179.8-177.500113P273 R299 M356P273-E275 WeakPolarHBondContact CB-OE2 3.32Å; P273-E275 PolarHBondContact O-N 2.99Å; E275-R299 WeakPolarHBondContact O-CD 3.39Å; E275-M356 WeakPolarHBondContact O-CE 3.27Å
276K96Very high95Very high63 Ų6353.8 Ų53.827%0.27427%0.273SS..G310 helixtrans-101.711.4172.7-68.4-66.4-166.8176.90112.5P273 I274 S357 F359 A360P273-K276 HydrophobicContact CB-CB 4.39Å; P273-K276 HydrophobicContact CB-CG 4.13Å; P273-K276 HydrophobicContact CG-CG 4.17Å; P273-K276 WeakPolarHBondContact O-CA 3.47Å; P273-K276 WeakPolarHBondContact O-CB 3.48Å; P273-K276 PolarHBondContact O-N 2.93Å; I274-K276 PolarHBondContact O-N 3.29Å; I274-K276 VanDerWaalsContact O-N 3.17Å; K276-S357 WeakPolarHBondContact CD-O 3.48Å; K276-S357 PolarHBondContact NZ-O 2.82Å; K276-S357 PolarHBondContact NZ-OG 3.13Å; K276-F359 CarbonylContact O-C 3.59Å; K276-F359 WeakPolarHBondContact O-CA 3.36Å; K276-F359 WeakPolarHBondContact O-CB 3.45Å; K276-A360 PolarHBondContact O-N 3.05Å
277T97.1Very high94.9Very high0 Ų063 Ų630%032%0.316CS..BIsolated β-bridgetrans-114.2153.4176.667.90000111.1I263 L266 V267 L272 I274 G300 A360I263-T277 VanDerWaalsContact CG2-OG1 3.31Å; I263-T277 WeakPolarHBondContact CG2-OG1 3.41Å; L266-T277 HydrophobicContact CD2-CG2 4Å; V267-T277 HydrophobicContact CG2-CG2 4.05Å; L272-T277 HydrophobicContact CB-CG2 4.31Å; L272-T277 HydrophobicContact CD1-CG2 4.35Å; I274-T277 PolarHBondContact O-N 3.02Å; I274-T277 PolarHBondContact O-OG1 3.45Å; T277-G300 PolarHBondContact O-N 3.32Å; T277-G300 WeakPolarHBondContact OG1-CA 3.35Å; T277-A360 WeakPolarHBondContact CA-O 3.4Å
278V97.6Very high94.8Very high7 Ų764.9 Ų64.94%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-128131.2-179.7179.40000110.3L297 V353 M356 F359 A360 A361V278-L297 HydrophobicContact CG1-CB 3.9Å; V278-L297 HydrophobicContact CG1-CD2 3.96Å; V278-L297 HydrophobicContact CG1-CG 3.98Å; V278-V353 HydrophobicContact CG1-CG1 4.42Å; V278-V353 HydrophobicContact CG2-CG1 4.39Å; V278-M356 HydrophobicContact CG2-CE 3.68Å; V278-M356 HydrophobicContact CG2-SD 3.71Å; V278-F359 HydrophobicContact CG2-CD2 3.54Å; V278-F359 HydrophobicContact CG2-CE2 3.97Å; V278-F359 HydrophobicContact CG2-CG 4.24Å; V278-A360 PolarHBondContact N-O 2.91Å; V278-A360 VanDerWaalsContact N-O 3.09Å; V278-A361 HydrophobicContact CB-CB 4.22Å
279K96.8Very high94.7Very high63 Ų6359.1 Ų59.127%0.27432%0.322SS..EExtended strand (participates in β ladder)trans-88.1132.8168.5-66.6171.7-176.6162.10109I263 L281 L297 V298 G300 H302I263-K279 HydrophobicContact CD1-CG 3.87Å; I263-K279 HydrophobicContact CG1-CD 4.21Å; I263-K279 HydrophobicContact CG1-CG 3.47Å; I263-K279 VanDerWaalsContact CG1-CG 3.47Å; K279-L281 HydrophobicContact CB-CD1 4.22Å; K279-L297 VanDerWaalsContact O-CA 3.3Å; K279-L297 WeakPolarHBondContact O-CA 3.25Å; K279-V298 HydrophobicContact CB-CG2 3.88Å; K279-V298 HydrophobicContact CD-CG2 4.13Å; K279-V298 PolarHBondContact N-O 3.48Å; K279-V298 PolarHBondContact O-N 2.92Å; K279-V298 VanDerWaalsContact O-N 3.11Å; K279-G300 WeakPolarHBondContact CE-O 3.47Å; K279-G300 PolarHBondContact NZ-O 3.4Å; K279-H302 PolarHBondContact NZ-O 2.89Å
280T97.5Very high94.8Very high23 Ų2360.3 Ų60.314%0.14134%0.34CS..EExtended strand (participates in β ladder)trans-114.2112.1175.9-53.30000108.7L282 A295 L297 L338 G339 M343T280-L282 HydrophobicContact CG2-CD1 3.77Å; T280-A295 HydrophobicContact CG2-CB 4.36Å; T280-L297 HydrophobicContact CG2-CD1 3.88Å; T280-L297 HydrophobicContact CG2-CG 4.31Å; T280-L338 WeakPolarHBondContact CB-O 3.22Å; T280-L338 HydrophobicContact CG2-CB 3.89Å; T280-L338 PolarHBondContact OG1-O 2.99Å; T280-G339 WeakPolarHBondContact OG1-CA 3.26Å; T280-M343 HydrophobicContact CG2-CE 4.09Å
281L97.5Very high94.8Very high42 Ų4261.3 Ų61.322%0.2234%0.344CS..EExtended strand (participates in β ladder)trans-107.3129179.2-54.798.7000109.1K279 A295 L296 V298 L304 F321K279-L281 HydrophobicContact CB-CD1 4.22Å; L281-A295 CarbonylContact O-C 3.55Å; L281-A295 WeakPolarHBondContact O-CA 3.38Å; L281-L296 PolarHBondContact N-O 2.87Å; L281-L296 PolarHBondContact O-N 3.49Å; L281-V298 HydrophobicContact CD1-CG2 3.98Å; L281-L304 HydrophobicContact CD1-CB 4.23Å; L281-L304 HydrophobicContact CD2-CB 4.11Å; L281-L304 HydrophobicContact CD2-CD2 4.15Å; L281-F321 HydrophobicContact CB-CE1 4.3Å; L281-F321 HydrophobicContact CD2-CE1 3.78Å; L281-F321 HydrophobicContact CD2-CZ 4.45Å
282L97.7Very high95Very high7 Ų758.2 Ų58.24%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-103126.8176.9-87.763.7000109.5T280 L293 V294 A295 A322 I327 V331 L338 I345T280-L282 HydrophobicContact CG2-CD1 3.77Å; L282-L293 HydrophobicContact CD2-CD1 4.11Å; L282-V294 WeakPolarHBondContact CA-O 3.34Å; L282-A295 HydrophobicContact CD1-CB 4.04Å; L282-A295 HydrophobicContact CG-CB 4.45Å; L282-A322 HydrophobicContact CB-CB 3.93Å; L282-A322 WeakPolarHBondContact O-CB 3.39Å; L282-A322 PolarHBondContact O-N 3.42Å; L282-I327 HydrophobicContact CB-CD1 4.31Å; L282-I327 HydrophobicContact CB-CG1 4.06Å; L282-I327 HydrophobicContact CD2-CB 4.34Å; L282-I327 HydrophobicContact CD2-CG1 3.88Å; L282-I327 HydrophobicContact CD2-CG2 4.08Å; L282-V331 HydrophobicContact CD2-CG2 3.82Å; L282-L338 HydrophobicContact CD1-CD1 3.86Å; L282-L338 HydrophobicContact CD2-CD1 4.45Å; L282-I345 HydrophobicContact CD2-CD1 3.86Å; L282-I345 HydrophobicContact CG-CD1 3.98Å
283V97.9Very high95.3Very high0 Ų056.7 Ų56.70%033%0.325CS..EExtended strand (participates in β ladder)trans-123.7159.5179.7-59.90000110.3L293 V294 L296 V315 L319 T320 F321V283-L293 CarbonylContact O-C 3.48Å; V283-L293 VanDerWaalsContact O-CA 3.26Å; V283-L293 WeakPolarHBondContact O-CA 3.44Å; V283-V294 HydrophobicContact CG2-CB 4.17Å; V283-V294 PolarHBondContact N-O 2.85Å; V283-V294 PolarHBondContact O-N 3.38Å; V283-L296 HydrophobicContact CG1-CD1 4.03Å; V283-L296 HydrophobicContact CG2-CD1 3.78Å; V283-L296 HydrophobicContact CG2-CG 4.02Å; V283-V315 HydrophobicContact CG2-CG1 3.97Å; V283-V315 HydrophobicContact CG2-CG2 4.04Å; V283-L319 HydrophobicContact CB-CG 4.5Å; V283-L319 HydrophobicContact CG1-CD1 4.14Å; V283-L319 HydrophobicContact CG1-CD2 4.13Å; V283-L319 HydrophobicContact CG1-CG 4.07Å; V283-T320 CarbonylContact C-O 3.56Å; V283-T320 WeakPolarHBondContact CA-O 3.35Å; V283-F321 HydrophobicContact CG1-CD1 4Å; V283-F321 HydrophobicContact CG1-CE1 4.17Å
284K97.4Very high95.4Very high73 Ų7353.4 Ų53.432%0.31730%0.303SS..EExtended strand (participates in β ladder)trans-65.9136.7175.1-65.1-163.1175.5-157.30110.6L293 A316 T320 E326K284-L293 HydrophobicContact CG-CD2 4.4Å; K284-A316 HydrophobicContact CB-CB 4.13Å; K284-A316 WeakPolarHBondContact O-CB 3.2Å; K284-A316 PolarHBondContact O-N 3.19Å; K284-T320 HydrophobicContact CD-CG2 3.82Å; K284-T320 HydrophobicContact CG-CG2 4.15Å; K284-T320 PolarHBondContact N-O 3Å; K284-E326 WeakPolarHBondContact CE-OE1 3.48Å; K284-E326 IonicContact NZ-OE1 3.7Å; K284-E326 PolarHBondContact NZ-OE1 2.99Å
285A96.9Very high95.6Very high12 Ų1250.5 Ų50.510%0.09929%0.288CS..BIsolated β-bridgetrans-76.8158.5172.400000110.9F291 P292 V294 Q314A285-F291 WeakPolarHBondContact CB-O 3.19Å; A285-P292 PolarHBondContact N-O 3.18Å; A285-V294 HydrophobicContact CB-CG2 3.88Å; A285-Q314 CarbonylContact C-O 3.55Å; A285-Q314 VanDerWaalsContact CA-O 3.23Å; A285-Q314 WeakPolarHBondContact CA-O 3.44Å
286V95.2Very high95.8Very high62 Ų6246.1 Ų46.138%0.37627%0.268SS..PPolyproline II helixtrans-54.514517268.60000111.4G288 S289 Q314V286-G288 PolarHBondContact O-N 3.34Å; V286-S289 WeakPolarHBondContact O-CB 3.36Å; V286-S289 PolarHBondContact O-N 3.4Å; V286-S289 VanDerWaalsContact O-N 3.08Å; V286-Q314 PolarHBondContact N-O 3.48Å
287E89.5Confident95.9Very high196 Ų19643.1 Ų43.192%0.91625%0.254SS*.THydrogen-bonded Turntrans-58.1134.5178.9-167.3174-170.200111.1S289E287-S289 VanDerWaalsContact C-N 3.33Å
288G88.4Confident95.9Very high80 Ų8043.1 Ų43.183%0.82525%0.254SS*.THydrogen-bonded Turntrans85.1-2.6-175.400000115.3V286V286-G288 PolarHBondContact O-N 3.34Å
289S91.3Very high95.9Very high45 Ų4545.4 Ų45.432%0.31526%0.263SS..  trans-59.3148169.9177.90000111.9V286 E287 F291V286-S289 WeakPolarHBondContact O-CB 3.36Å; V286-S289 PolarHBondContact O-N 3.4Å; V286-S289 VanDerWaalsContact O-N 3.08Å; E287-S289 VanDerWaalsContact C-N 3.33Å; S289-F291 WeakPolarHBondContact CB-O 3.38Å; S289-F291 PolarHBondContact O-N 2.9Å; S289-F291 PolarHBondContact OG-N 2.96Å; S289-F291 PolarHBondContact OG-O 3.39Å
290S93.2Very high95.9Very high117 Ų11742.6 Ų42.682%0.81825%0.251SS*.SBendtrans-68.5-17.7173.3-60.80000113
291F93.8Very high95.8Very high89 Ų8944 Ų4439%0.3926%0.257SS..SBendtrans-117.8138.8178.4-59.7-85.8000109.5A285 S289 L293 P344 I345 P346A285-F291 WeakPolarHBondContact CB-O 3.19Å; S289-F291 WeakPolarHBondContact CB-O 3.38Å; S289-F291 PolarHBondContact O-N 2.9Å; S289-F291 PolarHBondContact OG-N 2.96Å; S289-F291 PolarHBondContact OG-O 3.39Å; F291-L293 VanDerWaalsContact C-N 3.28Å; F291-L293 PolarHBondContact O-N 3.45Å; F291-P344 WeakPolarHBondContact CE1-O 3.26Å; F291-I345 HydrophobicContact CB-CG2 4.38Å; F291-I345 HydrophobicContact CD1-CG2 4.06Å; F291-P346 HydrophobicContact CB-CG 4.2Å; F291-P346 VanDerWaalsContact CD2-CD 3.4Å; F291-P346 HydrophobicContact CD2-CG 3.38Å; F291-P346 HydrophobicContact CE2-CG 3.81Å; F291-P346 HydrophobicContact CG-CG 3.85Å
292P94.9Very high95.8Very high86 Ų8642.1 Ų42.156%0.55825%0.248SC*.SBendtrans-72.3-23.8179.128.9-34.6000112.9A285 V330A285-P292 PolarHBondContact N-O 3.18Å; P292-V330 HydrophobicContact CG-CG2 3.97Å
293L97.7Very high95.7Very high3 Ų348.1 Ų48.12%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-133.3157.4-172.2-58.7-179.4000111.4L282 V283 K284 F291 A322 E326 V330 I345L282-L293 HydrophobicContact CD2-CD1 4.11Å; V283-L293 CarbonylContact O-C 3.48Å; V283-L293 VanDerWaalsContact O-CA 3.26Å; V283-L293 WeakPolarHBondContact O-CA 3.44Å; K284-L293 HydrophobicContact CG-CD2 4.4Å; F291-L293 VanDerWaalsContact C-N 3.28Å; F291-L293 PolarHBondContact O-N 3.45Å; L293-A322 HydrophobicContact CD1-CB 3.97Å; L293-A322 HydrophobicContact CD2-CB 3.66Å; L293-A322 HydrophobicContact CG-CB 4.47Å; L293-E326 HydrophobicContact CD1-CB 4.42Å; L293-V330 HydrophobicContact CD1-CB 4.36Å; L293-V330 HydrophobicContact CD1-CG2 4.01Å; L293-I345 HydrophobicContact CB-CD1 3.81Å
294V97.9Very high95.7Very high0 Ų049 Ų490%028%0.28CS..EExtended strand (participates in β ladder)trans-125.1138.5170.1-1790000108.5L282 V283 A285 L296 Q314 V315 V348L282-V294 WeakPolarHBondContact CA-O 3.34Å; V283-V294 HydrophobicContact CG2-CB 4.17Å; V283-V294 PolarHBondContact N-O 2.85Å; V283-V294 PolarHBondContact O-N 3.38Å; A285-V294 HydrophobicContact CB-CG2 3.88Å; V294-L296 HydrophobicContact CG1-CD2 3.95Å; V294-Q314 HydrophobicContact CG1-CG 4Å; V294-Q314 HydrophobicContact CG2-CB 3.98Å; V294-Q314 HydrophobicContact CG2-CG 3.96Å; V294-Q314 WeakPolarHBondContact CG2-O 3.25Å; V294-V315 HydrophobicContact CB-CG2 4.5Å; V294-V315 HydrophobicContact CG1-CG2 4.4Å; V294-V348 HydrophobicContact CG1-CG2 4.23Å
295A98.2Very high95.7Very high0 Ų045.6 Ų45.60%027%0.266CS..EExtended strand (participates in β ladder)trans-95.9126.5172.600000110.6T280 L281 L282 L297 M343 I345 P346 V347 V348T280-A295 HydrophobicContact CG2-CB 4.36Å; L281-A295 CarbonylContact O-C 3.55Å; L281-A295 WeakPolarHBondContact O-CA 3.38Å; L282-A295 HydrophobicContact CD1-CB 4.04Å; L282-A295 HydrophobicContact CG-CB 4.45Å; A295-L297 HydrophobicContact CB-CD1 4.03Å; A295-M343 HydrophobicContact CB-CE 4.37Å; A295-M343 HydrophobicContact CB-CG 4.29Å; A295-M343 HydrophobicContact CB-SD 4.38Å; A295-I345 HydrophobicContact CB-CD1 4.16Å; A295-I345 HydrophobicContact CB-CG1 4.42Å; A295-P346 PolarHBondContact N-O 2.92Å; A295-V347 HydrophobicContact CB-CG2 4.29Å; A295-V347 CarbonylContact O-C 3.58Å; A295-V347 WeakPolarHBondContact O-CA 2.92Å; A295-V348 PolarHBondContact O-N 2.92Å
296L98.5Very high95.6Very high0 Ų049.9 Ų49.90%028%0.284CS..EExtended strand (participates in β ladder)trans-111.9125.9177.3-55.1-178.2000109.2L281 V283 V294 L304 A309 L312 V315 V348 I387L281-L296 PolarHBondContact N-O 2.87Å; L281-L296 PolarHBondContact O-N 3.49Å; V283-L296 HydrophobicContact CG1-CD1 4.03Å; V283-L296 HydrophobicContact CG2-CD1 3.78Å; V283-L296 HydrophobicContact CG2-CG 4.02Å; V294-L296 HydrophobicContact CG1-CD2 3.95Å; L296-L304 HydrophobicContact CB-CD1 4.01Å; L296-L304 HydrophobicContact CD1-CD1 3.93Å; L296-L304 HydrophobicContact CD1-CD2 3.96Å; L296-A309 HydrophobicContact CD1-CB 3.68Å; L296-L312 HydrophobicContact CD2-CD1 3.8Å; L296-V315 HydrophobicContact CD2-CG2 4.26Å; L296-V348 CarbonylContact C-O 3.54Å; L296-V348 WeakPolarHBondContact CA-O 3.38Å; L296-V348 HydrophobicContact CD2-CB 3.81Å; L296-V348 HydrophobicContact CD2-CG2 4.15Å; L296-I387 HydrophobicContact CB-CD1 4.23Å
297L98.5Very high95.5Very high0 Ų047.9 Ų47.90%027%0.272CS..EExtended strand (participates in β ladder)trans-118.5122.9-173.2-78.866.9000111.7V278 K279 T280 A295 P340 V347 V348 I349 D350 V353V278-L297 HydrophobicContact CG1-CB 3.9Å; V278-L297 HydrophobicContact CG1-CD2 3.96Å; V278-L297 HydrophobicContact CG1-CG 3.98Å; K279-L297 VanDerWaalsContact O-CA 3.3Å; K279-L297 WeakPolarHBondContact O-CA 3.25Å; T280-L297 HydrophobicContact CG2-CD1 3.88Å; T280-L297 HydrophobicContact CG2-CG 4.31Å; A295-L297 HydrophobicContact CB-CD1 4.03Å; L297-P340 HydrophobicContact CD2-CB 3.69Å; L297-P340 HydrophobicContact CD2-CG 3.89Å; L297-V347 HydrophobicContact CD1-CG1 3.58Å; L297-V347 HydrophobicContact CD2-CG1 4.2Å; L297-V347 HydrophobicContact CG-CG1 4.49Å; L297-V348 PolarHBondContact N-O 3.35Å; L297-I349 HydrophobicContact CB-CB 4.39Å; L297-I349 HydrophobicContact CB-CG2 3.7Å; L297-I349 HydrophobicContact CD2-CG2 3.88Å; L297-I349 HydrophobicContact CG-CG2 4.28Å; L297-D350 WeakPolarHBondContact O-CB 3.45Å; L297-D350 PolarHBondContact O-N 2.79Å; L297-V353 HydrophobicContact CB-CG1 4.44Å
298V98.3Very high95.7Very high0 Ų039.4 Ų39.40%023%0.232CC..EExtended strand (participates in β ladder)trans-122.1155.5174-60.90000110.4K279 L281 H302 L304 D350 I387 R388K279-V298 HydrophobicContact CB-CG2 3.88Å; K279-V298 HydrophobicContact CD-CG2 4.13Å; K279-V298 PolarHBondContact N-O 3.48Å; K279-V298 PolarHBondContact O-N 2.92Å; K279-V298 VanDerWaalsContact O-N 3.11Å; L281-V298 HydrophobicContact CD1-CG2 3.98Å; V298-H302 HydrophobicContact CB-CB 4.33Å; V298-L304 HydrophobicContact CG1-CD1 4.18Å; V298-D350 HydrophobicContact CG1-CB 4.22Å; V298-I387 HydrophobicContact CG1-CD1 4.12Å; V298-I387 HydrophobicContact CG1-CG1 4.03Å; V298-R388 HydrophobicContact CG1-CB 4.31Å
299R97.2Very high96.1Very high56 Ų5635.6 Ų35.621%0.21119%0.192CC..EExtended strand (participates in β ladder)trans-64.7153.3176.5-159.3170.170.6-178.40.1110.2E275 D301 H302 V353 M356E275-R299 WeakPolarHBondContact O-CD 3.39Å; R299-D301 WeakPolarHBondContact CB-OD1 3.44Å; R299-D301 WeakPolarHBondContact CG-OD1 3.43Å; R299-D301 IonicContact CZ-OD1 2.76Å; R299-D301 IonicContact CZ-OD2 3.57Å; R299-D301 IonicContact NE-OD1 3.2Å; R299-D301 PolarHBondContact NE-OD1 3.27Å; R299-D301 IonicContact NE-OD2 2.75Å; R299-D301 PolarHBondContact NE-OD2 3.43Å; R299-D301 IonicContact NH2-OD1 3.57Å; R299-D301 IonicContact NH2-OD2 3.25Å; R299-D301 PolarHBondContact NH2-OD2 2.86Å; R299-D301 PolarHBondContact O-N 3.35Å; R299-D301 VanDerWaalsContact O-N 3.15Å; R299-H302 PolarHBondContact NH2-CE1 3.39Å; R299-H302 PolarHBondContact O-N 3.37Å; R299-V353 HydrophobicContact CB-CG2 4.27Å; R299-M356 HydrophobicContact CB-SD 4.36Å; R299-M356 HydrophobicContact CG-CE 3.99Å; R299-M356 HydrophobicContact CG-SD 3.8Å
300G96Very high96.2Very high3 Ų336.2 Ų36.23%0.03119%0.19CC..THydrogen-bonded Turntrans-59.4-28-171.900000115.6T277 K279T277-G300 PolarHBondContact O-N 3.32Å; T277-G300 WeakPolarHBondContact OG1-CA 3.35Å; K279-G300 WeakPolarHBondContact CE-O 3.47Å; K279-G300 PolarHBondContact NZ-O 3.4Å
301D95.6Very high96Very high52 Ų5236.1 Ų36.128%0.27818%0.175SC..THydrogen-bonded Turntrans-88.2-2.617662.1-35.2000113.7I274 R299I274-D301 HydrophobicContact CD1-CB 3.92Å; I274-D301 HydrophobicContact CG1-CB 3.99Å; I274-D301 HydrophobicContact CG2-CB 4.03Å; R299-D301 WeakPolarHBondContact CB-OD1 3.44Å; R299-D301 WeakPolarHBondContact CG-OD1 3.43Å; R299-D301 IonicContact CZ-OD1 2.76Å; R299-D301 IonicContact CZ-OD2 3.57Å; R299-D301 IonicContact NE-OD1 3.2Å; R299-D301 PolarHBondContact NE-OD1 3.27Å; R299-D301 IonicContact NE-OD2 2.75Å; R299-D301 PolarHBondContact NE-OD2 3.43Å; R299-D301 IonicContact NH2-OD1 3.57Å; R299-D301 IonicContact NH2-OD2 3.25Å; R299-D301 PolarHBondContact NH2-OD2 2.86Å; R299-D301 PolarHBondContact O-N 3.35Å; R299-D301 VanDerWaalsContact O-N 3.15Å
302H97.1Very high96.1Very high4 Ų432.7 Ų32.72%0.01916%0.161CC..  trans-106.6160.2177.5-63.6148.2000111.9K279 V298 R299 T352 R388K279-H302 PolarHBondContact NZ-O 2.89Å; V298-H302 HydrophobicContact CB-CB 4.33Å; R299-H302 PolarHBondContact NH2-CE1 3.39Å; R299-H302 PolarHBondContact O-N 3.37Å; H302-T352 PolarHBondContact CE1-OG1 2.87Å; H302-T352 PolarHBondContact ND1-OG1 3.33Å; H302-R388 HydrophobicContact CB-CB 4.24Å; H302-R388 VanDerWaalsContact ND1-CD 3.26Å; H302-R388 WeakPolarHBondContact ND1-CD 3.48Å
303E96.9Very high96Very high132 Ų13233.6 Ų33.662%0.61717%0.166SC*.  trans-116.5146.3173.6-64.8-172.5160.300109.8N305 R388 N389E303-N305 PolarHBondContact O-N 3.07Å; E303-R388 VanDerWaalsContact O-CA 3.27Å; E303-R388 WeakPolarHBondContact O-CA 3.44Å; E303-N389 PolarHBondContact O-N 3.47Å
304L97.9Very high95.9Very high18 Ų1835.1 Ų35.19%0.09417%0.174CC..BIsolated β-bridgetrans-66.5131.6174.9-17576.3000108.6L281 L296 V298 A309 L319 F321 I387L281-L304 HydrophobicContact CD1-CB 4.23Å; L281-L304 HydrophobicContact CD2-CB 4.11Å; L281-L304 HydrophobicContact CD2-CD2 4.15Å; L296-L304 HydrophobicContact CB-CD1 4.01Å; L296-L304 HydrophobicContact CD1-CD1 3.93Å; L296-L304 HydrophobicContact CD1-CD2 3.96Å; V298-L304 HydrophobicContact CG1-CD1 4.18Å; L304-A309 HydrophobicContact CD1-CB 4.29Å; L304-A309 HydrophobicContact CD2-CB 4.36Å; L304-A309 HydrophobicContact CG-CB 4.42Å; L304-L319 HydrophobicContact CD2-CD1 4.45Å; L304-F321 HydrophobicContact CD2-CE1 4.19Å; L304-F321 HydrophobicContact CD2-CZ 4.21Å; L304-I387 HydrophobicContact CD1-CB 4.13Å; L304-I387 HydrophobicContact CD1-CD1 4.22Å; L304-I387 HydrophobicContact CD1-CG1 4.36Å; L304-I387 WeakPolarHBondContact CD1-O 3.35Å
305N97Very high95.8Very high3 Ų335.4 Ų35.42%0.01618%0.175CC..  trans-87.8109.3166.4-178-47.5000108.1I233 E234 E303 V307 K308 A309 I387 N389I233-N305 PolarHBondContact O-ND2 3.2Å; E234-N305 WeakPolarHBondContact CA-ND2 3.41Å; E234-N305 PolarHBondContact O-ND2 2.89Å; E234-N305 PolarHBondContact O-OD1 2.85Å; E303-N305 PolarHBondContact O-N 3.07Å; N305-V307 VanDerWaalsContact C-N 3.35Å; N305-V307 PolarHBondContact O-N 2.86Å; N305-V307 PolarHBondContact OD1-N 2.91Å; N305-V307 VanDerWaalsContact OD1-N 3.13Å; N305-K308 HydrophobicContact CB-CB 4.04Å; N305-K308 HydrophobicContact CB-CD 3.86Å; N305-K308 HydrophobicContact CB-CG 4.05Å; N305-K308 VanDerWaalsContact CG-CG 3.48Å; N305-K308 WeakPolarHBondContact ND2-CE 3.22Å; N305-K308 PolarHBondContact O-N 2.76Å; N305-K308 WeakPolarHBondContact OD1-CG 3.21Å; N305-K308 PolarHBondContact OD1-N 2.91Å; N305-A309 WeakPolarHBondContact O-CB 3.38Å; N305-A309 PolarHBondContact O-N 2.91Å; N305-I387 PolarHBondContact N-O 3.05Å; N305-N389 WeakPolarHBondContact CB-OD1 3.34Å; N305-N389 VanDerWaalsContact CG-OD1 3.29Å; N305-N389 PolarHBondContact ND2-OD1 2.92Å
306E95.5Very high95.5Very high102 Ų10236.3 Ų36.348%0.47718%0.183SC..Hα-helixtrans-63.6-40.3-176-63.3-175.5-158.400111.7K308 A309 E310 L319 F321E306-K308 PolarHBondContact O-N 2.78Å; E306-A309 WeakPolarHBondContact O-CB 3.48Å; E306-A309 PolarHBondContact O-N 2.99Å; E306-E310 WeakPolarHBondContact O-CG 3.44Å; E306-E310 PolarHBondContact O-N 2.77Å; E306-L319 HydrophobicContact CB-CD1 4.41Å; E306-L319 HydrophobicContact CG-CD2 4.33Å; E306-F321 HydrophobicContact CG-CE2 4.5Å; E306-F321 HydrophobicContact CG-CZ 4.38Å
307V92.3Very high95.1Very high20 Ų2040.7 Ų40.712%0.12121%0.213CC..Hα-helixtrans-64.6-41.6179.3177.60000111.8D198 E234 N305 E310 K311D198-V307 HydrophobicContact CB-CG1 4.04Å; E234-V307 HydrophobicContact CB-CB 4.18Å; E234-V307 HydrophobicContact CB-CG1 4.47Å; E234-V307 HydrophobicContact CB-CG2 3.99Å; E234-V307 HydrophobicContact CG-CG2 3.97Å; N305-V307 VanDerWaalsContact C-N 3.35Å; N305-V307 PolarHBondContact O-N 2.86Å; N305-V307 PolarHBondContact OD1-N 2.91Å; N305-V307 VanDerWaalsContact OD1-N 3.13Å; V307-E310 PolarHBondContact O-N 3.41Å; V307-K311 PolarHBondContact O-N 2.74Å
308K94.2Very high94.6Very high18 Ų1845.2 Ų45.28%0.07824%0.242CC..Hα-helixtrans-66.7-39.2173.8-68.4-179.8-171.2179.70111.6A236 N305 E306 K311 D386 R388A236-K308 VanDerWaalsContact O-CE 3.28Å; A236-K308 WeakPolarHBondContact O-CE 3.25Å; A236-K308 PolarHBondContact O-NZ 2.58Å; N305-K308 HydrophobicContact CB-CB 4.04Å; N305-K308 HydrophobicContact CB-CD 3.86Å; N305-K308 HydrophobicContact CB-CG 4.05Å; N305-K308 VanDerWaalsContact CG-CG 3.48Å; N305-K308 WeakPolarHBondContact ND2-CE 3.22Å; N305-K308 PolarHBondContact O-N 2.76Å; N305-K308 WeakPolarHBondContact OD1-CG 3.21Å; N305-K308 PolarHBondContact OD1-N 2.91Å; E306-K308 PolarHBondContact O-N 2.78Å; K308-K311 PolarHBondContact O-N 3.14Å; K308-D386 WeakPolarHBondContact CD-OD1 3.15Å; K308-D386 WeakPolarHBondContact CE-OD2 3.09Å; K308-D386 IonicContact NZ-OD1 3.04Å; K308-D386 PolarHBondContact NZ-OD1 2.99Å; K308-D386 IonicContact NZ-OD2 3.55Å; K308-D386 PolarHBondContact NZ-OD2 3.18Å; K308-R388 PolarHBondContact NZ-O 2.94Å
309A95.7Very high94.4Very high0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-65.2-37.9177.700000112.3L296 L304 N305 E306 K311 L312 V315 L319L296-A309 HydrophobicContact CD1-CB 3.68Å; L304-A309 HydrophobicContact CD1-CB 4.29Å; L304-A309 HydrophobicContact CD2-CB 4.36Å; L304-A309 HydrophobicContact CG-CB 4.42Å; N305-A309 WeakPolarHBondContact O-CB 3.38Å; N305-A309 PolarHBondContact O-N 2.91Å; E306-A309 WeakPolarHBondContact O-CB 3.48Å; E306-A309 PolarHBondContact O-N 2.99Å; A309-K311 PolarHBondContact O-N 3.05Å; A309-L312 WeakPolarHBondContact O-CB 3.24Å; A309-L312 WeakPolarHBondContact O-CG 3.4Å; A309-L312 PolarHBondContact O-N 2.67Å; A309-L312 VanDerWaalsContact O-N 3.13Å; A309-V315 WeakPolarHBondContact O-CB 3.39Å; A309-V315 WeakPolarHBondContact O-CG1 3.35Å; A309-L319 HydrophobicContact CB-CD1 3.47Å; A309-L319 VanDerWaalsContact CB-CD1 3.47Å
310E93.1Very high94.3Very high57 Ų5746.2 Ų46.227%0.26625%0.254SS..Hα-helixtrans-60.2-28.3174.2-76.6-176.1169.300113.4E306 V307 L312 P318 L319E306-E310 WeakPolarHBondContact O-CG 3.44Å; E306-E310 PolarHBondContact O-N 2.77Å; V307-E310 PolarHBondContact O-N 3.41Å; E310-L312 PolarHBondContact O-N 3.07Å; E310-P318 WeakPolarHBondContact OE1-CA 3.27Å; E310-L319 HydrophobicContact CG-CB 3.43Å; E310-L319 VanDerWaalsContact CG-CB 3.43Å; E310-L319 PolarHBondContact OE1-N 3.01Å
311K90.7Very high94.4Very high116 Ų11650.1 Ų50.150%0.50427%0.27SS..THydrogen-bonded Turntrans-77.6-6.1178.9-67.6176.4-177.5176.80113.4D198 V307 K308 A309D198-K311 WeakPolarHBondContact OD1-CE 3.26Å; D198-K311 IonicContact OD1-NZ 3.79Å; D198-K311 PolarHBondContact OD1-NZ 3.04Å; V307-K311 PolarHBondContact O-N 2.74Å; K308-K311 PolarHBondContact O-N 3.14Å; A309-K311 PolarHBondContact O-N 3.05Å
312L94.4Very high94.4Very high17 Ų1748.3 Ų48.39%0.08926%0.263CS..SBendtrans-74.7131.4176.5-64.7173.9000110.7L296 A309 E310 Q314 V315 V348 A385 I387L296-L312 HydrophobicContact CD2-CD1 3.8Å; A309-L312 WeakPolarHBondContact O-CB 3.24Å; A309-L312 WeakPolarHBondContact O-CG 3.4Å; A309-L312 PolarHBondContact O-N 2.67Å; A309-L312 VanDerWaalsContact O-N 3.13Å; E310-L312 PolarHBondContact O-N 3.07Å; L312-Q314 PolarHBondContact O-N 2.72Å; L312-Q314 VanDerWaalsContact O-N 3.08Å; L312-V315 HydrophobicContact CB-CB 4.15Å; L312-V315 HydrophobicContact CB-CG2 3.79Å; L312-V315 HydrophobicContact CD1-CG2 3.98Å; L312-V315 PolarHBondContact O-N 3.19Å; L312-V348 HydrophobicContact CD1-CB 4.35Å; L312-V348 HydrophobicContact CD1-CG1 4.03Å; L312-V348 HydrophobicContact CD1-CG2 4.28Å; L312-V348 HydrophobicContact CD2-CG1 4.48Å; L312-A385 HydrophobicContact CD2-CB 3.71Å; L312-I387 HydrophobicContact CD1-CG2 3.87Å; L312-I387 HydrophobicContact CD2-CG2 4.49Å; L312-I387 HydrophobicContact CG-CG2 4.49Å
313P93.8Very high94.4Very high104 Ų10451.6 Ų51.668%0.67528%0.284SS*.THydrogen-bonded Turntrans-57.9-29.4-175.7-25.934.1000115
314Q94.6Very high94.4Very high36 Ų3650.2 Ų50.217%0.16828%0.277CS..THydrogen-bonded Turntrans-85-12.7178.954.6-98.232.100114.7A285 V286 V294 L312 V348 E383A285-Q314 CarbonylContact C-O 3.55Å; A285-Q314 VanDerWaalsContact CA-O 3.23Å; A285-Q314 WeakPolarHBondContact CA-O 3.44Å; V286-Q314 PolarHBondContact N-O 3.48Å; V294-Q314 HydrophobicContact CG1-CG 4Å; V294-Q314 HydrophobicContact CG2-CB 3.98Å; V294-Q314 HydrophobicContact CG2-CG 3.96Å; V294-Q314 WeakPolarHBondContact CG2-O 3.25Å; L312-Q314 PolarHBondContact O-N 2.72Å; L312-Q314 VanDerWaalsContact O-N 3.08Å; Q314-V348 HydrophobicContact CG-CG2 4.39Å; Q314-E383 PolarHBondContact NE2-OE2 2.95Å
315V95.6Very high94.3Very high6 Ų657.2 Ų57.24%0.03631%0.309CS..BIsolated β-bridgetrans-92.7141.4-174.8176.20000110.1V283 V294 L296 A309 L312 L319V283-V315 HydrophobicContact CG2-CG1 3.97Å; V283-V315 HydrophobicContact CG2-CG2 4.04Å; V294-V315 HydrophobicContact CB-CG2 4.5Å; V294-V315 HydrophobicContact CG1-CG2 4.4Å; L296-V315 HydrophobicContact CD2-CG2 4.26Å; A309-V315 WeakPolarHBondContact O-CB 3.39Å; A309-V315 WeakPolarHBondContact O-CG1 3.35Å; L312-V315 HydrophobicContact CB-CB 4.15Å; L312-V315 HydrophobicContact CB-CG2 3.79Å; L312-V315 HydrophobicContact CD1-CG2 3.98Å; L312-V315 PolarHBondContact O-N 3.19Å; V315-L319 HydrophobicContact CG1-CD1 4.33Å
316A93.6Very high94.3Very high19 Ų1960 Ų6016%0.15732%0.322CS..  trans-67.3139172.800000110.9K284 P318 L319K284-A316 HydrophobicContact CB-CB 4.13Å; K284-A316 WeakPolarHBondContact O-CB 3.2Å; K284-A316 PolarHBondContact O-N 3.19Å; A316-P318 CarbonylContact C-O 3.51Å; A316-P318 CarbonylContact O-C 3.51Å; A316-P318 VanDerWaalsContact O-C 3.25Å; A316-L319 WeakPolarHBondContact O-CA 3.42Å; A316-L319 PolarHBondContact O-N 2.55Å
317S88.5Confident94.4Very high91 Ų9155.6 Ų55.664%0.63630%0.302SS*.SBendtrans-117.2118.3172.1-178.80000108.4
318P89.1Confident94.6Very high95 Ų9559.1 Ų59.162%0.61731%0.313SS*.SBendcis-70.8151.93.231.2-36.4000113.2E310 A316 T320E310-P318 WeakPolarHBondContact OE1-CA 3.27Å; A316-P318 CarbonylContact C-O 3.51Å; A316-P318 CarbonylContact O-C 3.51Å; A316-P318 VanDerWaalsContact O-C 3.25Å; P318-T320 PolarHBondContact O-N 3.06Å; P318-T320 PolarHBondContact O-OG1 2.93Å
319L93.7Very high94.6Very high18 Ų1862.2 Ų62.29%0.09434%0.342CS..  trans-63129.9179.7-179.6148.4000109.7V283 L304 E306 A309 E310 V315 A316 F321V283-L319 HydrophobicContact CB-CG 4.5Å; V283-L319 HydrophobicContact CG1-CD1 4.14Å; V283-L319 HydrophobicContact CG1-CD2 4.13Å; V283-L319 HydrophobicContact CG1-CG 4.07Å; L304-L319 HydrophobicContact CD2-CD1 4.45Å; E306-L319 HydrophobicContact CB-CD1 4.41Å; E306-L319 HydrophobicContact CG-CD2 4.33Å; A309-L319 HydrophobicContact CB-CD1 3.47Å; A309-L319 VanDerWaalsContact CB-CD1 3.47Å; E310-L319 HydrophobicContact CG-CB 3.43Å; E310-L319 VanDerWaalsContact CG-CB 3.43Å; E310-L319 PolarHBondContact OE1-N 3.01Å; V315-L319 HydrophobicContact CG1-CD1 4.33Å; A316-L319 WeakPolarHBondContact O-CA 3.42Å; A316-L319 PolarHBondContact O-N 2.55Å; L319-F321 HydrophobicContact CD2-CD2 3.83Å; L319-F321 HydrophobicContact CD2-CE1 4.34Å; L319-F321 HydrophobicContact CD2-CE2 3.51Å; L319-F321 HydrophobicContact CD2-CG 4.37Å; L319-F321 HydrophobicContact CD2-CZ 3.8Å
320T95.9Very high94.6Very high60 Ų6063.9 Ų63.937%0.36835%0.352SS..  trans-129.2119.1178-57.50000108.5V283 K284 P318V283-T320 CarbonylContact C-O 3.56Å; V283-T320 WeakPolarHBondContact CA-O 3.35Å; K284-T320 HydrophobicContact CD-CG2 3.82Å; K284-T320 HydrophobicContact CG-CG2 4.15Å; K284-T320 PolarHBondContact N-O 3Å; P318-T320 PolarHBondContact O-N 3.06Å; P318-T320 PolarHBondContact O-OG1 2.93Å
321F97.1Very high94.7Very high84 Ų8461.7 Ų61.737%0.36834%0.342SS..BIsolated β-bridgetrans-65.8142.5172.5-70.4-81000111.1L281 V283 L304 E306 L319L281-F321 HydrophobicContact CB-CE1 4.3Å; L281-F321 HydrophobicContact CD2-CE1 3.78Å; L281-F321 HydrophobicContact CD2-CZ 4.45Å; V283-F321 HydrophobicContact CG1-CD1 4Å; V283-F321 HydrophobicContact CG1-CE1 4.17Å; L304-F321 HydrophobicContact CD2-CE1 4.19Å; L304-F321 HydrophobicContact CD2-CZ 4.21Å; E306-F321 HydrophobicContact CG-CE2 4.5Å; E306-F321 HydrophobicContact CG-CZ 4.38Å; L319-F321 HydrophobicContact CD2-CD2 3.83Å; L319-F321 HydrophobicContact CD2-CE1 4.34Å; L319-F321 HydrophobicContact CD2-CE2 3.51Å; L319-F321 HydrophobicContact CD2-CG 4.37Å; L319-F321 HydrophobicContact CD2-CZ 3.8Å
322A96.8Very high94.8Very high15 Ų1564.7 Ų64.712%0.12436%0.355CS..PPolyproline II helixtrans-68.9140.9174.500000110.7L282 L293 E326 I327L282-A322 HydrophobicContact CB-CB 3.93Å; L282-A322 WeakPolarHBondContact O-CB 3.39Å; L282-A322 PolarHBondContact O-N 3.42Å; L293-A322 HydrophobicContact CD1-CB 3.97Å; L293-A322 HydrophobicContact CD2-CB 3.66Å; L293-A322 HydrophobicContact CG-CB 4.47Å; A322-E326 HydrophobicContact CB-CB 4.49Å; A322-I327 HydrophobicContact CB-CD1 4.16Å; A322-I327 HydrophobicContact CB-CG1 3.67Å
323T96.9Very high94.8Very high73 Ų7363.9 Ų63.945%0.44835%0.351SS..PPolyproline II helixtrans-72.2157170.361.20000110.9E325 E326 I327T323-E325 PolarHBondContact O-N 2.88Å; T323-E326 PolarHBondContact N-OE2 3.06Å; T323-E326 PolarHBondContact O-N 2.94Å; T323-E326 VanDerWaalsContact O-N 3.17Å; T323-E326 WeakPolarHBondContact OG1-CB 3.49Å; T323-E326 VanDerWaalsContact OG1-CD 3.26Å; T323-E326 VanDerWaalsContact OG1-CG 3.24Å; T323-E326 WeakPolarHBondContact OG1-CG 3.33Å; T323-E326 PolarHBondContact OG1-N 2.95Å; T323-E326 PolarHBondContact OG1-OE2 3.05Å; T323-I327 VanDerWaalsContact O-CG1 3.28Å; T323-I327 WeakPolarHBondContact O-CG1 3.05Å; T323-I327 PolarHBondContact O-N 2.96Å
324E96Very high94.7Very high103 Ų10358.9 Ų58.948%0.48132%0.319SS..Hα-helixtrans-56.8-34.9176.3177.8169.8-177.100112.3I327 R328 P335E324-I327 PolarHBondContact O-N 2.87Å; E324-R328 HydrophobicContact CG-CG 4.32Å; E324-R328 WeakPolarHBondContact O-CB 3.49Å; E324-R328 WeakPolarHBondContact O-CG 3.3Å; E324-R328 PolarHBondContact O-N 2.8Å; E324-R328 IonicContact OE1-CZ 3.23Å; E324-R328 VanDerWaalsContact OE1-CZ 3.29Å; E324-R328 IonicContact OE1-NE 2.71Å; E324-R328 PolarHBondContact OE1-NE 3.23Å; E324-R328 IonicContact OE1-NH2 2.77Å; E324-R328 PolarHBondContact OE1-NH2 2.78Å; E324-P335 HydrophobicContact CB-CG 4.4Å; E324-P335 HydrophobicContact CG-CG 4.39Å
325E96.5Very high94.5Very high165 Ų16560.3 Ų60.377%0.77133%0.331SS*.Hα-helixtrans-63.7-49176.5-172.9175.7179.400111.9T323 I327 R328 A329T323-E325 PolarHBondContact O-N 2.88Å; E325-I327 VanDerWaalsContact C-N 3.34Å; E325-I327 PolarHBondContact O-N 3.39Å; E325-R328 PolarHBondContact O-N 3.09Å; E325-A329 WeakPolarHBondContact O-CB 3.39Å; E325-A329 PolarHBondContact O-N 2.91Å
326E96.5Very high94.3Very high60 Ų6061 Ų6128%0.2834%0.34SS..Hα-helixtrans-60.8-42.6175.9-71.3163.7146.100111.3K284 L293 A322 T323 A329 V330K284-E326 WeakPolarHBondContact CE-OE1 3.48Å; K284-E326 IonicContact NZ-OE1 3.7Å; K284-E326 PolarHBondContact NZ-OE1 2.99Å; L293-E326 HydrophobicContact CD1-CB 4.42Å; A322-E326 HydrophobicContact CB-CB 4.49Å; T323-E326 PolarHBondContact N-OE2 3.06Å; T323-E326 PolarHBondContact O-N 2.94Å; T323-E326 VanDerWaalsContact O-N 3.17Å; T323-E326 WeakPolarHBondContact OG1-CB 3.49Å; T323-E326 VanDerWaalsContact OG1-CD 3.26Å; T323-E326 VanDerWaalsContact OG1-CG 3.24Å; T323-E326 WeakPolarHBondContact OG1-CG 3.33Å; T323-E326 PolarHBondContact OG1-N 2.95Å; T323-E326 PolarHBondContact OG1-OE2 3.05Å; E326-A329 PolarHBondContact O-N 3.28Å; E326-V330 PolarHBondContact O-N 3.15Å
327I97Very high94.4Very high11 Ų1160.4 Ų60.46%0.05633%0.334CS..Hα-helixtrans-60.1-50.3177.6-68.7170.8000110.7L282 A322 T323 E324 E325 A329 V330 V331 A333 P335 L338L282-I327 HydrophobicContact CB-CD1 4.31Å; L282-I327 HydrophobicContact CB-CG1 4.06Å; L282-I327 HydrophobicContact CD2-CB 4.34Å; L282-I327 HydrophobicContact CD2-CG1 3.88Å; L282-I327 HydrophobicContact CD2-CG2 4.08Å; A322-I327 HydrophobicContact CB-CD1 4.16Å; A322-I327 HydrophobicContact CB-CG1 3.67Å; T323-I327 VanDerWaalsContact O-CG1 3.28Å; T323-I327 WeakPolarHBondContact O-CG1 3.05Å; T323-I327 PolarHBondContact O-N 2.96Å; E324-I327 PolarHBondContact O-N 2.87Å; E325-I327 VanDerWaalsContact C-N 3.34Å; E325-I327 PolarHBondContact O-N 3.39Å; I327-A329 VanDerWaalsContact C-N 3.32Å; I327-A329 PolarHBondContact O-N 2.69Å; I327-V330 PolarHBondContact O-N 2.76Å; I327-V331 PolarHBondContact O-N 2.74Å; I327-A333 WeakPolarHBondContact CG2-O 3.43Å; I327-P335 HydrophobicContact CD1-CG 4.12Å; I327-L338 HydrophobicContact CD1-CD1 4.45Å; I327-L338 HydrophobicContact CG2-CD1 3.75Å; I327-L338 HydrophobicContact CG2-CD2 3.9Å; I327-L338 HydrophobicContact CG2-CG 4.46Å
328R96.5Very high94.8Very high94 Ų9456.7 Ų56.736%0.35531%0.307SS..Hα-helixtrans-65.7-35.1-178.4-75.2179.7177.9-74.3-2.7112.4E324 E325 V330 K332 D366E324-R328 HydrophobicContact CG-CG 4.32Å; E324-R328 WeakPolarHBondContact O-CB 3.49Å; E324-R328 WeakPolarHBondContact O-CG 3.3Å; E324-R328 PolarHBondContact O-N 2.8Å; E324-R328 IonicContact OE1-CZ 3.23Å; E324-R328 VanDerWaalsContact OE1-CZ 3.29Å; E324-R328 IonicContact OE1-NE 2.71Å; E324-R328 PolarHBondContact OE1-NE 3.23Å; E324-R328 IonicContact OE1-NH2 2.77Å; E324-R328 PolarHBondContact OE1-NH2 2.78Å; E325-R328 PolarHBondContact O-N 3.09Å; R328-V330 PolarHBondContact O-N 2.96Å; R328-K332 WeakPolarHBondContact O-CA 3.36Å; R328-K332 PolarHBondContact O-N 2.83Å; R328-D366 IonicContact CZ-OD2 2.95Å; R328-D366 IonicContact NH1-OD1 2.94Å; R328-D366 IonicContact NH1-OD2 3.6Å; R328-D366 PolarHBondContact NH1-OD2 3.38Å; R328-D366 IonicContact NH2-OD2 3.76Å; R328-D366 PolarHBondContact NH2-OD2 2.92Å
329A95.5Very high95.2Very high82 Ų8252.2 Ų52.268%0.67828%0.278SS*.Hα-helixtrans-61-34.2176.600000112.2E325 E326 I327E325-A329 WeakPolarHBondContact O-CB 3.39Å; E325-A329 PolarHBondContact O-N 2.91Å; E326-A329 PolarHBondContact O-N 3.28Å; I327-A329 VanDerWaalsContact C-N 3.32Å; I327-A329 PolarHBondContact O-N 2.69Å
330V95.2Very high95.3Very high36 Ų3651.6 Ų51.622%0.21828%0.275CS..Hα-helixtrans-92.2-52.4-176.6174.30000112.3P292 L293 E326 I327 R328 P344 I345P292-V330 HydrophobicContact CG-CG2 3.97Å; L293-V330 HydrophobicContact CD1-CB 4.36Å; L293-V330 HydrophobicContact CD1-CG2 4.01Å; E326-V330 PolarHBondContact O-N 3.15Å; I327-V330 PolarHBondContact O-N 2.76Å; R328-V330 PolarHBondContact O-N 2.96Å; V330-P344 HydrophobicContact CG1-CG 4.06Å; V330-P344 WeakPolarHBondContact O-CG 3.45Å; V330-I345 HydrophobicContact CG1-CD1 4.47Å; V330-I345 HydrophobicContact CG1-CG2 3.38Å
331V94.8Very high95.4Very high10 Ų1048.9 Ų48.96%0.06126%0.259CS..Hα-helixtrans-95.7-17.8-170.1-172.10000112.5L282 I327 A333 L338 M343 N364L282-V331 HydrophobicContact CD2-CG2 3.82Å; I327-V331 PolarHBondContact O-N 2.74Å; V331-A333 PolarHBondContact O-N 3.06Å; V331-L338 HydrophobicContact CB-CD2 4.2Å; V331-L338 HydrophobicContact CG1-CD2 3.82Å; V331-M343 HydrophobicContact CG1-CE 4.48Å; V331-M343 HydrophobicContact CG1-SD 4.43Å; V331-M343 HydrophobicContact CG2-SD 3.85Å; V331-N364 HydrophobicContact CG1-CB 3.66Å; V331-N364 WeakPolarHBondContact CG1-OD1 3.42Å
332K93.7Very high95.3Very high179 Ų17951.3 Ų51.378%0.77828%0.275SS*.SBendtrans64.513.7-175.2-50.4176.9-178.3174.60115R328R328-K332 WeakPolarHBondContact O-CA 3.36Å; R328-K332 PolarHBondContact O-N 2.83Å
333A94.6Very high95.2Very high0 Ų051.7 Ų51.70%028%0.275CS..SBendtrans-133.4159.8170.400000109.7I327 V331 L338 N364 D366I327-A333 WeakPolarHBondContact CG2-O 3.43Å; V331-A333 PolarHBondContact O-N 3.06Å; A333-L338 HydrophobicContact CB-CD2 4.23Å; A333-N364 VanDerWaalsContact CB-C 3.45Å; A333-D366 WeakPolarHBondContact CA-OD1 3.32Å
334G91.6Very high95.2Very high0 Ų051.3 Ų51.30%027%0.274CS..  trans-96.6175.5179.700000114.2G336 S337 L338 D366G334-G336 PolarHBondContact O-N 3.42Å; G334-S337 PolarHBondContact O-N 2.67Å; G334-L338 WeakPolarHBondContact O-CG 3.38Å; G334-D366 PolarHBondContact N-OD1 3.19Å
335P90.5Very high95.2Very high65 Ų6546.9 Ų46.942%0.42225%0.253SS..THydrogen-bonded Turntrans-51.5137.2171.2-25.934.4000112.3E324 I327E324-P335 HydrophobicContact CB-CG 4.4Å; E324-P335 HydrophobicContact CG-CG 4.39Å; I327-P335 HydrophobicContact CD1-CG 4.12Å
336G90.5Very high95.2Very high21 Ų2140.9 Ų40.922%0.21623%0.228CC..THydrogen-bonded Turntrans91.61.1-175.800000115K261 G334 H369K261-G336 VanDerWaalsContact O-CA 3.3Å; K261-G336 WeakPolarHBondContact O-CA 3.5Å; G334-G336 PolarHBondContact O-N 3.42Å; G336-H369 PolarHBondContact O-CE1 3.43Å
337S95.4Very high95.3Very high7 Ų739 Ų395%0.04922%0.221CC..SBendtrans-138.222.3173.3-56.80000113.2G334 G362 A363 N364 I365 G367G334-S337 PolarHBondContact O-N 2.67Å; S337-G362 CarbonylContact O-C 3.55Å; S337-G362 WeakPolarHBondContact O-CA 3.49Å; S337-A363 PolarHBondContact O-N 3.48Å; S337-N364 VanDerWaalsContact O-CA 3.29Å; S337-N364 WeakPolarHBondContact O-CA 3.09Å; S337-N364 PolarHBondContact O-N 2.93Å; S337-I365 VanDerWaalsContact CB-O 3.3Å; S337-I365 WeakPolarHBondContact CB-O 3Å; S337-G367 PolarHBondContact OG-N 3.03Å
338L96.8Very high95.3Very high13 Ų1338.5 Ų38.57%0.06822%0.218CC..  trans-95.7140.3-177-52175.1000111.8T280 L282 I327 V331 A333 G334 G362 N364T280-L338 WeakPolarHBondContact CB-O 3.22Å; T280-L338 HydrophobicContact CG2-CB 3.89Å; T280-L338 PolarHBondContact OG1-O 2.99Å; L282-L338 HydrophobicContact CD1-CD1 3.86Å; L282-L338 HydrophobicContact CD2-CD1 4.45Å; I327-L338 HydrophobicContact CD1-CD1 4.45Å; I327-L338 HydrophobicContact CG2-CD1 3.75Å; I327-L338 HydrophobicContact CG2-CD2 3.9Å; I327-L338 HydrophobicContact CG2-CG 4.46Å; V331-L338 HydrophobicContact CB-CD2 4.2Å; V331-L338 HydrophobicContact CG1-CD2 3.82Å; A333-L338 HydrophobicContact CB-CD2 4.23Å; G334-L338 WeakPolarHBondContact O-CG 3.38Å; L338-G362 WeakPolarHBondContact O-CA 3.43Å; L338-G362 PolarHBondContact O-N 2.77Å; L338-N364 WeakPolarHBondContact CA-OD1 3.41Å
339G96.9Very high95.4Very high0 Ų034 Ų340%020%0.201CC..  trans-163.9177.1178.400000114.5T280 V341 M343 G362 N364T280-G339 WeakPolarHBondContact OG1-CA 3.26Å; G339-V341 PolarHBondContact O-N 3.26Å; G339-M343 WeakPolarHBondContact O-CE 3.4Å; G339-G362 WeakPolarHBondContact CA-O 3.28Å; G339-G362 PolarHBondContact N-O 2.78Å; G339-N364 PolarHBondContact N-OD1 3.12Å; G339-N364 PolarHBondContact O-ND2 2.8Å; G339-N364 PolarHBondContact O-OD1 3.11Å
340P97.1Very high95.5Very high5 Ų530.1 Ų30.13%0.03217%0.169CC..SBendtrans-73.3-25.8-168.926.6-32.2000114L297 N342 M343 F359 A361 W375 V379L297-P340 HydrophobicContact CD2-CB 3.69Å; L297-P340 HydrophobicContact CD2-CG 3.89Å; P340-N342 PolarHBondContact O-N 3.25Å; P340-M343 WeakPolarHBondContact O-CB 3.39Å; P340-M343 PolarHBondContact O-N 2.86Å; P340-F359 HydrophobicContact CG-CE2 4.15Å; P340-F359 HydrophobicContact CG-CZ 4.39Å; P340-A361 HydrophobicContact CG-CB 4.47Å; P340-W375 HydrophobicContact CB-CH2 3.82Å; P340-W375 HydrophobicContact CB-CZ3 4.02Å; P340-W375 HydrophobicContact CG-CH2 3.84Å; P340-W375 HydrophobicContact CG-CZ3 4.27Å; P340-V379 HydrophobicContact CB-CG2 4.44Å
341V96.9Very high95.6Very high4 Ų431.5 Ų31.52%0.02417%0.17CC..THydrogen-bonded Turntrans-70.8122.3-173.8-176.70000110.1M252 G339 M343 N364 Y370 I373 V379M252-V341 HydrophobicContact CE-CG1 4.38Å; M252-V341 HydrophobicContact SD-CG1 4.36Å; M252-V341 HydrophobicContact SD-CG2 3.99Å; G339-V341 PolarHBondContact O-N 3.26Å; V341-M343 PolarHBondContact O-N 3.04Å; V341-N364 PolarHBondContact O-ND2 2.92Å; V341-Y370 HydrophobicContact CB-CD2 3.94Å; V341-Y370 HydrophobicContact CB-CE2 3.98Å; V341-Y370 HydrophobicContact CG1-CD2 4.21Å; V341-Y370 HydrophobicContact CG1-CE2 3.88Å; V341-Y370 HydrophobicContact CG2-CD2 4.1Å; V341-I373 HydrophobicContact CG2-CD1 4.19Å; V341-I373 HydrophobicContact CG2-CG1 4.43Å; V341-I373 HydrophobicContact CG2-CG2 4.07Å; V341-V379 HydrophobicContact CG2-CB 4.36Å; V341-V379 HydrophobicContact CG2-CG1 4.22Å
342N94.9Very high95.7Very high134 Ų13431.3 Ų31.372%0.71717%0.169SC*.THydrogen-bonded Turntrans57.629.5-175.6-55.1-45.8000114.4P340 P344P340-N342 PolarHBondContact O-N 3.25Å; N342-P344 WeakPolarHBondContact O-CD 3.49Å
343M96.3Very high95.9Very high24 Ų2422.8 Ų22.812%0.11813%0.132CC..  trans-66.9123.4175.2-176.959.269.400110.2T280 A295 V331 G339 P340 V341 I345 V347 N364T280-M343 HydrophobicContact CG2-CE 4.09Å; A295-M343 HydrophobicContact CB-CE 4.37Å; A295-M343 HydrophobicContact CB-CG 4.29Å; A295-M343 HydrophobicContact CB-SD 4.38Å; V331-M343 HydrophobicContact CG1-CE 4.48Å; V331-M343 HydrophobicContact CG1-SD 4.43Å; V331-M343 HydrophobicContact CG2-SD 3.85Å; G339-M343 WeakPolarHBondContact O-CE 3.4Å; P340-M343 WeakPolarHBondContact O-CB 3.39Å; P340-M343 PolarHBondContact O-N 2.86Å; V341-M343 PolarHBondContact O-N 3.04Å; M343-I345 VanDerWaalsContact C-N 3.27Å; M343-I345 HydrophobicContact CG-CG1 3.73Å; M343-I345 PolarHBondContact O-N 3.17Å; M343-I345 HydrophobicContact SD-CD1 4.03Å; M343-I345 HydrophobicContact SD-CG1 3.55Å; M343-I345 VanDerWaalsContact SD-CG1 3.55Å; M343-V347 HydrophobicContact CB-CG2 3.86Å; M343-V347 HydrophobicContact CG-CG2 3.57Å; M343-N364 WeakPolarHBondContact CE-OD1 3.31Å
344P95.2Very high96Very high65 Ų6523.4 Ų23.442%0.42214%0.138SC..SBendtrans-84.24.9-173.833.6-37.1000114.5F291 V330 N342F291-P344 WeakPolarHBondContact CE1-O 3.26Å; V330-P344 HydrophobicContact CG1-CG 4.06Å; V330-P344 WeakPolarHBondContact O-CG 3.45Å; N342-P344 WeakPolarHBondContact O-CD 3.49Å
345I96.6Very high96.1Very high10 Ų1024.9 Ų24.95%0.05115%0.15CC..SBendtrans-127.3162.7-177.852.2172.8000110.8L282 F291 L293 A295 V330 M343 V347L282-I345 HydrophobicContact CD2-CD1 3.86Å; L282-I345 HydrophobicContact CG-CD1 3.98Å; F291-I345 HydrophobicContact CB-CG2 4.38Å; F291-I345 HydrophobicContact CD1-CG2 4.06Å; L293-I345 HydrophobicContact CB-CD1 3.81Å; A295-I345 HydrophobicContact CB-CD1 4.16Å; A295-I345 HydrophobicContact CB-CG1 4.42Å; V330-I345 HydrophobicContact CG1-CD1 4.47Å; V330-I345 HydrophobicContact CG1-CG2 3.38Å; M343-I345 VanDerWaalsContact C-N 3.27Å; M343-I345 HydrophobicContact CG-CG1 3.73Å; M343-I345 PolarHBondContact O-N 3.17Å; M343-I345 HydrophobicContact SD-CD1 4.03Å; M343-I345 HydrophobicContact SD-CG1 3.55Å; M343-I345 VanDerWaalsContact SD-CG1 3.55Å; I345-V347 WeakPolarHBondContact O-CG2 3.42Å; I345-V347 PolarHBondContact O-N 2.9Å
346P96.5Very high96.4Very high38 Ų3822.4 Ų22.425%0.24713%0.133CC..  trans-53.2139174.5-27.535.6000111.9F291 A295F291-P346 HydrophobicContact CB-CG 4.2Å; F291-P346 VanDerWaalsContact CD2-CD 3.4Å; F291-P346 HydrophobicContact CD2-CG 3.38Å; F291-P346 HydrophobicContact CE2-CG 3.81Å; F291-P346 HydrophobicContact CG-CG 3.85Å; A295-P346 PolarHBondContact N-O 2.92Å
347V98Very high96.7Very high21 Ų2121.7 Ų21.713%0.12712%0.124CC..EExtended strand (participates in β ladder)trans-121.9130.3-178.6-173.60000108.9A295 L297 M343 I345 I349 P382A295-V347 HydrophobicContact CB-CG2 4.29Å; A295-V347 CarbonylContact O-C 3.58Å; A295-V347 WeakPolarHBondContact O-CA 2.92Å; L297-V347 HydrophobicContact CD1-CG1 3.58Å; L297-V347 HydrophobicContact CD2-CG1 4.2Å; L297-V347 HydrophobicContact CG-CG1 4.49Å; M343-V347 HydrophobicContact CB-CG2 3.86Å; M343-V347 HydrophobicContact CG-CG2 3.57Å; I345-V347 WeakPolarHBondContact O-CG2 3.42Å; I345-V347 PolarHBondContact O-N 2.9Å; V347-I349 HydrophobicContact CG1-CG2 4.05Å; V347-P382 HydrophobicContact CB-CB 3.91Å; V347-P382 HydrophobicContact CB-CG 3.96Å; V347-P382 HydrophobicContact CG1-CB 4.1Å; V347-P382 HydrophobicContact CG1-CG 3.85Å; V347-P382 WeakPolarHBondContact O-CB 3.4Å
348V98.3Very high96.8Very high0 Ų021.8 Ų21.80%012%0.124CC..EExtended strand (participates in β ladder)trans-117.3129.9167.8-1730000107.9V294 A295 L296 L297 L312 Q314 E383 A385 I387V294-V348 HydrophobicContact CG1-CG2 4.23Å; A295-V348 PolarHBondContact O-N 2.92Å; L296-V348 CarbonylContact C-O 3.54Å; L296-V348 WeakPolarHBondContact CA-O 3.38Å; L296-V348 HydrophobicContact CD2-CB 3.81Å; L296-V348 HydrophobicContact CD2-CG2 4.15Å; L297-V348 PolarHBondContact N-O 3.35Å; L312-V348 HydrophobicContact CD1-CB 4.35Å; L312-V348 HydrophobicContact CD1-CG1 4.03Å; L312-V348 HydrophobicContact CD1-CG2 4.28Å; L312-V348 HydrophobicContact CD2-CG1 4.48Å; Q314-V348 HydrophobicContact CG-CG2 4.39Å; V348-E383 WeakPolarHBondContact CA-O 3.44Å; V348-A385 HydrophobicContact CG1-CB 3.79Å; V348-I387 HydrophobicContact CG1-CG2 4.46Å
349I98.3Very high96.8Very high0 Ų021.2 Ų21.20%012%0.121CC..EExtended strand (participates in β ladder)trans-113.4143.5179.555.1161.7000110.3L297 V347 V353 A354 W375 T381 P382 E383 V384 A385L297-I349 HydrophobicContact CB-CB 4.39Å; L297-I349 HydrophobicContact CB-CG2 3.7Å; L297-I349 HydrophobicContact CD2-CG2 3.88Å; L297-I349 HydrophobicContact CG-CG2 4.28Å; V347-I349 HydrophobicContact CG1-CG2 4.05Å; I349-V353 HydrophobicContact CB-CB 4.21Å; I349-V353 HydrophobicContact CB-CG1 3.92Å; I349-V353 HydrophobicContact CG2-CG1 3.97Å; I349-A354 HydrophobicContact CD1-CB 3.68Å; I349-A354 HydrophobicContact CG1-CB 4.49Å; I349-W375 HydrophobicContact CD1-CH2 4.43Å; I349-W375 HydrophobicContact CD1-CZ2 4.17Å; I349-W375 HydrophobicContact CG2-CH2 3.97Å; I349-W375 HydrophobicContact CG2-CZ2 4.28Å; I349-T381 HydrophobicContact CD1-CG2 4.08Å; I349-P382 HydrophobicContact CG1-CB 4.48Å; I349-P382 HydrophobicContact CG2-CG 4.17Å; I349-E383 WeakPolarHBondContact CG1-O 3.3Å; I349-E383 PolarHBondContact N-O 2.83Å; I349-V384 HydrophobicContact CD1-CG2 4.11Å; I349-V384 HydrophobicContact CG1-CG2 4.05Å; I349-V384 WeakPolarHBondContact O-CA 3.43Å; I349-A385 PolarHBondContact O-N 3.13Å; I349-A385 VanDerWaalsContact O-N 3.08Å
350D98.4Very high96.8Very high0 Ų021.3 Ų21.30%012%0.122CC..EExtended strand (participates in β ladder)trans-63.6151.2171.8-179.1-107.5000111.4L297 V298 T352 V353 A354 A385 I387 R388L297-D350 WeakPolarHBondContact O-CB 3.45Å; L297-D350 PolarHBondContact O-N 2.79Å; V298-D350 HydrophobicContact CG1-CB 4.22Å; D350-T352 PolarHBondContact O-N 2.86Å; D350-T352 VanDerWaalsContact O-N 3.13Å; D350-T352 VanDerWaalsContact OD1-CB 3.27Å; D350-T352 WeakPolarHBondContact OD1-CB 3.47Å; D350-T352 WeakPolarHBondContact OD1-CG2 3.31Å; D350-T352 PolarHBondContact OD1-N 3.34Å; D350-T352 PolarHBondContact OD1-OG1 3.41Å; D350-V353 HydrophobicContact CB-CB 4.46Å; D350-V353 HydrophobicContact CB-CG2 4.19Å; D350-V353 WeakPolarHBondContact O-CA 3.36Å; D350-V353 WeakPolarHBondContact O-CB 3.08Å; D350-V353 PolarHBondContact O-N 3.34Å; D350-A354 PolarHBondContact O-N 3.18Å; D350-A385 WeakPolarHBondContact CA-O 3.45Å; D350-I387 HydrophobicContact CB-CD1 4.17Å; D350-I387 HydrophobicContact CB-CG1 3.67Å; D350-I387 PolarHBondContact OD2-N 3.12Å; D350-R388 WeakPolarHBondContact OD1-CD 3.34Å; D350-R388 IonicContact OD1-NE 2.84Å; D350-R388 WeakPolarHBondContact OD2-CG 3.37Å
351R97.1Very high96.8Very high65 Ų6521 Ų2125%0.24512%0.12CC..Hα-helixtrans-50.7-36.9175.1-67.2165.9174.1-175.8-2.2113E237 A238 A240 A355 V384 A385E237-R351 IonicContact OE1-CZ 2.72Å; E237-R351 VanDerWaalsContact OE1-CZ 3.3Å; E237-R351 IonicContact OE1-NH1 3.55Å; E237-R351 PolarHBondContact OE1-NH1 2.82Å; E237-R351 IonicContact OE1-NH2 3.63Å; E237-R351 PolarHBondContact OE1-NH2 3.42Å; A238-R351 WeakPolarHBondContact O-CD 3.49Å; A238-R351 PolarHBondContact O-NH1 3.04Å; A240-R351 HydrophobicContact CB-CB 3.93Å; A240-R351 HydrophobicContact CB-CG 4.23Å; R351-A355 PolarHBondContact O-N 3Å; R351-V384 HydrophobicContact CB-CG1 4.4Å; R351-V384 HydrophobicContact CG-CG1 3.97Å; R351-A385 PolarHBondContact N-O 2.75Å
352T96.2Very high96.8Very high6 Ų620.9 Ų20.94%0.03712%0.12CC..Hα-helixtrans-73.2-34.4177.464.30000112.5P241 H302 D350 A355 M356P241-T352 HydrophobicContact CG-CG2 4.01Å; H302-T352 PolarHBondContact CE1-OG1 2.87Å; H302-T352 PolarHBondContact ND1-OG1 3.33Å; D350-T352 PolarHBondContact O-N 2.86Å; D350-T352 VanDerWaalsContact O-N 3.13Å; D350-T352 VanDerWaalsContact OD1-CB 3.27Å; D350-T352 WeakPolarHBondContact OD1-CB 3.47Å; D350-T352 WeakPolarHBondContact OD1-CG2 3.31Å; D350-T352 PolarHBondContact OD1-N 3.34Å; D350-T352 PolarHBondContact OD1-OG1 3.41Å; T352-A355 PolarHBondContact O-N 3.36Å; T352-M356 WeakPolarHBondContact O-CG 3.37Å
353V97.2Very high96.9Very high0 Ų014.7 Ų14.70%09%0.087CC..Hα-helixtrans-67.8-38.4174.71740000110.9V278 L297 R299 I349 D350 A355 M356 W375V278-V353 HydrophobicContact CG1-CG1 4.42Å; V278-V353 HydrophobicContact CG2-CG1 4.39Å; L297-V353 HydrophobicContact CB-CG1 4.44Å; R299-V353 HydrophobicContact CB-CG2 4.27Å; I349-V353 HydrophobicContact CB-CB 4.21Å; I349-V353 HydrophobicContact CB-CG1 3.92Å; I349-V353 HydrophobicContact CG2-CG1 3.97Å; D350-V353 HydrophobicContact CB-CB 4.46Å; D350-V353 HydrophobicContact CB-CG2 4.19Å; D350-V353 WeakPolarHBondContact O-CA 3.36Å; D350-V353 WeakPolarHBondContact O-CB 3.08Å; D350-V353 PolarHBondContact O-N 3.34Å; V353-A355 PolarHBondContact O-N 2.99Å; V353-M356 HydrophobicContact CB-SD 4.3Å; V353-M356 HydrophobicContact CG1-SD 4.34Å; V353-M356 HydrophobicContact CG2-SD 4.16Å; V353-M356 WeakPolarHBondContact O-CB 3Å; V353-M356 PolarHBondContact O-N 2.72Å; V353-W375 HydrophobicContact CG1-CH2 4.48Å; V353-W375 HydrophobicContact CG1-CZ2 3.61Å; V353-W375 PolarHBondContact O-NE1 3.01Å
354A96.1Very high96.9Very high14 Ų1414.4 Ų14.412%0.1169%0.086CC..Hα-helixtrans-60.6-26.4174.600000112.9R245 I349 D350 V384R245-A354 PolarHBondContact NE-O 2.86Å; R245-A354 PolarHBondContact NH2-O 3.35Å; I349-A354 HydrophobicContact CD1-CB 3.68Å; I349-A354 HydrophobicContact CG1-CB 4.49Å; D350-A354 PolarHBondContact O-N 3.18Å; A354-V384 HydrophobicContact CB-CG1 3.89Å; A354-V384 HydrophobicContact CB-CG2 3.78Å
355A95.1Very high97Very high31 Ų3114.8 Ų14.826%0.2568%0.084SC..THydrogen-bonded Turntrans-86.5-5.4177.700000114P241 R351 T352 V353P241-A355 HydrophobicContact CB-CB 4.11Å; P241-A355 HydrophobicContact CG-CB 3.88Å; R351-A355 PolarHBondContact O-N 3Å; T352-A355 PolarHBondContact O-N 3.36Å; V353-A355 PolarHBondContact O-N 2.99Å
356M96.3Very high96.9Very high13 Ų1318.1 Ų18.16%0.06410%0.102CC..  trans-73.8153.9-176.7-65.4174.276.400113R245 E275 V278 R299 T352 V353 F359 W375R245-M356 WeakPolarHBondContact CG-O 3.4Å; E275-M356 WeakPolarHBondContact O-CE 3.27Å; V278-M356 HydrophobicContact CG2-CE 3.68Å; V278-M356 HydrophobicContact CG2-SD 3.71Å; R299-M356 HydrophobicContact CB-SD 4.36Å; R299-M356 HydrophobicContact CG-CE 3.99Å; R299-M356 HydrophobicContact CG-SD 3.8Å; T352-M356 WeakPolarHBondContact O-CG 3.37Å; V353-M356 HydrophobicContact CB-SD 4.3Å; V353-M356 HydrophobicContact CG1-SD 4.34Å; V353-M356 HydrophobicContact CG2-SD 4.16Å; V353-M356 WeakPolarHBondContact O-CB 3Å; V353-M356 PolarHBondContact O-N 2.72Å; M356-F359 HydrophobicContact CB-CB 4.36Å; M356-F359 HydrophobicContact CB-CD1 3.86Å; M356-F359 HydrophobicContact CB-CG 4.32Å; M356-F359 HydrophobicContact CE-CB 3.44Å; M356-F359 VanDerWaalsContact CE-CB 3.44Å; M356-F359 HydrophobicContact CE-CG 4.08Å; M356-W375 VanDerWaalsContact O-CD1 3.28Å
357S96.5Very high96.9Very high5 Ų517.2 Ų17.24%0.03510%0.099CC..  trans-138.4159.6169.271.20000109.1A246 K276 F359 N374A246-S357 VanDerWaalsContact O-CB 3.24Å; A246-S357 WeakPolarHBondContact O-CB 3.23Å; K276-S357 WeakPolarHBondContact CD-O 3.48Å; K276-S357 PolarHBondContact NZ-O 2.82Å; K276-S357 PolarHBondContact NZ-OG 3.13Å; S357-F359 PolarHBondContact O-N 2.93Å; S357-N374 WeakPolarHBondContact CA-OD1 3.33Å; S357-N374 WeakPolarHBondContact CB-OD1 3.46Å
358D97.3Very high96.8Very high10 Ų1019 Ų195%0.05311%0.105CC..SBendtrans43.643.2178-56.2-46.4000114T249 Q250 I373 N374T249-D358 WeakPolarHBondContact CB-OD2 3.33Å; T249-D358 PolarHBondContact N-OD1 3.25Å; T249-D358 PolarHBondContact N-OD2 3.08Å; T249-D358 PolarHBondContact OG1-OD2 2.71Å; Q250-D358 HydrophobicContact CB-CB 4.28Å; Q250-D358 HydrophobicContact CG-CB 4.18Å; Q250-D358 PolarHBondContact N-OD1 3.22Å; D358-I373 WeakPolarHBondContact CA-O 3.47Å; D358-I373 PolarHBondContact N-O 3.04Å; D358-N374 PolarHBondContact N-OD1 3.04Å; D358-N374 PolarHBondContact OD1-ND2 2.82Å
359F97.5Very high96.8Very high0 Ų019.7 Ų19.70%011%0.109CC..EExtended strand (participates in β ladder)trans-94.8165.5-173.165-90.3000112.4K276 V278 P340 M356 S357 A361 G372 I373 W375K276-F359 CarbonylContact O-C 3.59Å; K276-F359 WeakPolarHBondContact O-CA 3.36Å; K276-F359 WeakPolarHBondContact O-CB 3.45Å; V278-F359 HydrophobicContact CG2-CD2 3.54Å; V278-F359 HydrophobicContact CG2-CE2 3.97Å; V278-F359 HydrophobicContact CG2-CG 4.24Å; P340-F359 HydrophobicContact CG-CE2 4.15Å; P340-F359 HydrophobicContact CG-CZ 4.39Å; M356-F359 HydrophobicContact CB-CB 4.36Å; M356-F359 HydrophobicContact CB-CD1 3.86Å; M356-F359 HydrophobicContact CB-CG 4.32Å; M356-F359 HydrophobicContact CE-CB 3.44Å; M356-F359 VanDerWaalsContact CE-CB 3.44Å; M356-F359 HydrophobicContact CE-CG 4.08Å; S357-F359 PolarHBondContact O-N 2.93Å; F359-A361 HydrophobicContact CD2-CB 4.36Å; F359-A361 HydrophobicContact CE2-CB 4.23Å; F359-G372 PolarHBondContact O-N 2.88Å; F359-G372 VanDerWaalsContact O-N 3.13Å; F359-I373 HydrophobicContact CD1-CB 4.2Å; F359-I373 WeakPolarHBondContact CD1-O 3.44Å; F359-I373 HydrophobicContact CD2-CB 3.99Å; F359-I373 HydrophobicContact CD2-CD1 3.99Å; F359-I373 HydrophobicContact CD2-CG2 4.49Å; F359-I373 HydrophobicContact CE1-CB 3.95Å; F359-I373 HydrophobicContact CE1-CG2 3.8Å; F359-I373 WeakPolarHBondContact CE1-O 3.42Å; F359-I373 HydrophobicContact CE2-CB 3.74Å; F359-I373 HydrophobicContact CE2-CD1 3.69Å; F359-I373 HydrophobicContact CE2-CG1 4.33Å; F359-I373 HydrophobicContact CE2-CG2 3.74Å; F359-I373 HydrophobicContact CG-CB 4.22Å; F359-I373 HydrophobicContact CZ-CB 3.71Å; F359-I373 HydrophobicContact CZ-CD1 4.41Å; F359-I373 HydrophobicContact CZ-CG2 3.34Å; F359-I373 PolarHBondContact N-O 2.79Å; F359-I373 WeakPolarHBondContact O-CB 3.41Å; F359-I373 WeakPolarHBondContact O-CG1 3.47Å; F359-I373 PolarHBondContact O-N 3.47Å; F359-W375 HydrophobicContact CE1-CD2 4.09Å; F359-W375 AromaticContact CE1-CE2 3.55Å; F359-W375 HydrophobicContact CE1-CG 4.31Å; F359-W375 AromaticContact CE1-CZ2 3.84Å; F359-W375 HydrophobicContact CE1-CZ2 3.84Å; F359-W375 AromaticContact CE1-NE1 3.55Å; F359-W375 HydrophobicContact CE2-CZ2 4.18Å; F359-W375 HydrophobicContact CZ-CD2 4.14Å; F359-W375 AromaticContact CZ-CE2 3.56Å; F359-W375 AromaticContact CZ-CH2 3.83Å; F359-W375 HydrophobicContact CZ-CH2 3.83Å; F359-W375 AromaticContact CZ-CZ2 3.37Å; F359-W375 HydrophobicContact CZ-CZ2 3.37Å; F359-W375 HydrophobicContact CZ-CZ3 4.39Å
360A97.5Very high96.8Very high2 Ų221.3 Ų21.32%0.01712%0.115CC..EExtended strand (participates in β ladder)trans-107.7133.817600000111L266 L272 K276 T277 V278 Y370 F371L266-A360 HydrophobicContact CD2-CB 4.29Å; L272-A360 HydrophobicContact CD1-CB 3.63Å; K276-A360 PolarHBondContact O-N 3.05Å; T277-A360 WeakPolarHBondContact CA-O 3.4Å; V278-A360 PolarHBondContact N-O 2.91Å; V278-A360 VanDerWaalsContact N-O 3.09Å; A360-Y370 VanDerWaalsContact CA-O 3.25Å; A360-Y370 WeakPolarHBondContact CA-O 3.34Å; A360-F371 HydrophobicContact CB-CD1 3.55Å; A360-F371 HydrophobicContact CB-CE1 3.83Å; A360-F371 HydrophobicContact CB-CG 4.26Å
361A97.2Very high96.7Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-149.7161.8173.700000110.5V278 P340 F359 H369 Y370 I373V278-A361 HydrophobicContact CB-CB 4.22Å; P340-A361 HydrophobicContact CG-CB 4.47Å; F359-A361 HydrophobicContact CD2-CB 4.36Å; F359-A361 HydrophobicContact CE2-CB 4.23Å; A361-H369 CarbonylContact O-C 3.36Å; A361-H369 WeakPolarHBondContact O-CA 3.35Å; A361-H369 WeakPolarHBondContact O-CB 3.42Å; A361-H369 PolarHBondContact O-CD2 2.84Å; A361-Y370 PolarHBondContact N-O 3.12Å; A361-Y370 VanDerWaalsContact N-O 3.08Å; A361-Y370 PolarHBondContact O-N 3.28Å; A361-I373 HydrophobicContact CB-CD1 3.61Å
362G96.3Very high96.7Very high1 Ų119.5 Ų19.51%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-58.1146178.600000112.4S337 L338 G339 N364 H369S337-G362 CarbonylContact O-C 3.55Å; S337-G362 WeakPolarHBondContact O-CA 3.49Å; L338-G362 WeakPolarHBondContact O-CA 3.43Å; L338-G362 PolarHBondContact O-N 2.77Å; G339-G362 WeakPolarHBondContact CA-O 3.28Å; G339-G362 PolarHBondContact N-O 2.78Å; G362-N364 VanDerWaalsContact C-N 3.3Å; G362-N364 PolarHBondContact O-N 3.24Å; G362-H369 VanDerWaalsContact CA-CD2 3.5Å; G362-H369 WeakPolarHBondContact CA-CD2 3.45Å; G362-H369 PolarHBondContact N-CD2 3.35Å; G362-H369 VanDerWaalsContact N-CD2 3.32Å
363A96.9Very high96.8Very high4 Ų419.2 Ų19.23%0.03311%0.108CC..  trans-86.12.7-173.800000114.6L254 S337 I365 K368 Y370L254-A363 HydrophobicContact CD1-CB 3.43Å; L254-A363 VanDerWaalsContact CD1-CB 3.43Å; S337-A363 PolarHBondContact O-N 3.48Å; A363-I365 HydrophobicContact CB-CB 4.4Å; A363-I365 PolarHBondContact O-N 3.2Å; A363-K368 HydrophobicContact CB-CB 4Å; A363-K368 WeakPolarHBondContact CB-O 3.38Å; A363-K368 PolarHBondContact N-O 3.43Å; A363-Y370 HydrophobicContact CB-CD2 3.71Å; A363-Y370 HydrophobicContact CB-CE2 3.63Å; A363-Y370 HydrophobicContact CB-CG 4.31Å
364N96.9Very high96.8Very high18 Ų1819.5 Ų19.510%0.09611%0.109CC..SBendtrans56.731.3-164.3-59.2-38.3000112.1V331 A333 S337 L338 G339 V341 M343 G362V331-N364 HydrophobicContact CG1-CB 3.66Å; V331-N364 WeakPolarHBondContact CG1-OD1 3.42Å; A333-N364 VanDerWaalsContact CB-C 3.45Å; S337-N364 VanDerWaalsContact O-CA 3.29Å; S337-N364 WeakPolarHBondContact O-CA 3.09Å; S337-N364 PolarHBondContact O-N 2.93Å; L338-N364 WeakPolarHBondContact CA-OD1 3.41Å; G339-N364 PolarHBondContact N-OD1 3.12Å; G339-N364 PolarHBondContact O-ND2 2.8Å; G339-N364 PolarHBondContact O-OD1 3.11Å; V341-N364 PolarHBondContact O-ND2 2.92Å; M343-N364 WeakPolarHBondContact CE-OD1 3.31Å; G362-N364 VanDerWaalsContact C-N 3.3Å; G362-N364 PolarHBondContact O-N 3.24Å
365I96.2Very high96.9Very high73 Ų7319.4 Ų19.437%0.37411%0.106SC..SBendtrans-139.7124.8176.6-57.5168.6000106.7S337 A363 G367 K368S337-I365 VanDerWaalsContact CB-O 3.3Å; S337-I365 WeakPolarHBondContact CB-O 3Å; A363-I365 HydrophobicContact CB-CB 4.4Å; A363-I365 PolarHBondContact O-N 3.2Å; I365-G367 PolarHBondContact O-N 3.13Å; I365-K368 HydrophobicContact CB-CB 4.34Å; I365-K368 HydrophobicContact CB-CD 4.36Å; I365-K368 HydrophobicContact CG2-CD 3.87Å; I365-K368 HydrophobicContact CG2-CG 4.22Å; I365-K368 PolarHBondContact O-N 2.83Å; I365-K368 VanDerWaalsContact O-N 3.09Å
366D95Very high96.9Very high80 Ų8022.9 Ų22.943%0.42812%0.12SC..THydrogen-bonded Turntrans-53.1129-176.9-83.5-11.1000112.2R328 A333 G334 K368R328-D366 IonicContact CZ-OD2 2.95Å; R328-D366 IonicContact NH1-OD1 2.94Å; R328-D366 IonicContact NH1-OD2 3.6Å; R328-D366 PolarHBondContact NH1-OD2 3.38Å; R328-D366 IonicContact NH2-OD2 3.76Å; R328-D366 PolarHBondContact NH2-OD2 2.92Å; A333-D366 WeakPolarHBondContact CA-OD1 3.32Å; G334-D366 PolarHBondContact N-OD1 3.19Å; D366-K368 VanDerWaalsContact C-N 3.32Å; D366-K368 PolarHBondContact O-N 2.87Å
367G95.4Very high96.9Very high19 Ų1927.6 Ų27.620%0.19614%0.137CC..THydrogen-bonded Turntrans71.323.9178.100000113.8T257 S337 I365T257-G367 CarbonylContact C-O 3.5Å; T257-G367 VanDerWaalsContact C-O 3.3Å; T257-G367 WeakPolarHBondContact CA-O 3.33Å; T257-G367 PolarHBondContact N-O 2.85Å; T257-G367 PolarHBondContact OG1-O 3.27Å; S337-G367 PolarHBondContact OG-N 3.03Å; I365-G367 PolarHBondContact O-N 3.13Å
368K97.2Very high96.9Very high58 Ų5829.6 Ų29.625%0.25215%0.147SC..EExtended strand (participates in β ladder)trans-137.1148.3175.4-55.9-171-175.2-112.50113.1L254 V255 D256 T257 A363 I365 D366L254-K368 HydrophobicContact CD1-CB 3.89Å; L254-K368 HydrophobicContact CD1-CD 4.07Å; L254-K368 HydrophobicContact CD2-CD 3.83Å; L254-K368 HydrophobicContact CG-CD 4Å; V255-K368 VanDerWaalsContact O-CA 3.28Å; V255-K368 WeakPolarHBondContact O-CA 3.48Å; D256-K368 WeakPolarHBondContact OD1-CE 3.36Å; D256-K368 IonicContact OD1-NZ 2.79Å; D256-K368 PolarHBondContact OD1-NZ 3.25Å; T257-K368 WeakPolarHBondContact OG1-CA 3.36Å; T257-K368 PolarHBondContact OG1-N 3.38Å; A363-K368 HydrophobicContact CB-CB 4Å; A363-K368 WeakPolarHBondContact CB-O 3.38Å; A363-K368 PolarHBondContact N-O 3.43Å; I365-K368 HydrophobicContact CB-CB 4.34Å; I365-K368 HydrophobicContact CB-CD 4.36Å; I365-K368 HydrophobicContact CG2-CD 3.87Å; I365-K368 HydrophobicContact CG2-CG 4.22Å; I365-K368 PolarHBondContact O-N 2.83Å; I365-K368 VanDerWaalsContact O-N 3.09Å; D366-K368 VanDerWaalsContact C-N 3.32Å; D366-K368 PolarHBondContact O-N 2.87Å
369H97.5Very high96.8Very high15 Ų1530.2 Ų30.27%0.06915%0.152CC..EExtended strand (participates in β ladder)trans-127.8152.1172.8-75.169.3000110.8V255 T257 G336 A361 G362 F371V255-H369 PolarHBondContact N-O 3.46Å; V255-H369 PolarHBondContact O-N 2.7Å; T257-H369 HydrophobicContact CG2-CB 3.92Å; T257-H369 PolarHBondContact OG1-ND1 2.75Å; G336-H369 PolarHBondContact O-CE1 3.43Å; A361-H369 CarbonylContact O-C 3.36Å; A361-H369 WeakPolarHBondContact O-CA 3.35Å; A361-H369 WeakPolarHBondContact O-CB 3.42Å; A361-H369 PolarHBondContact O-CD2 2.84Å; G362-H369 VanDerWaalsContact CA-CD2 3.5Å; G362-H369 WeakPolarHBondContact CA-CD2 3.45Å; G362-H369 PolarHBondContact N-CD2 3.35Å; G362-H369 VanDerWaalsContact N-CD2 3.32Å; H369-F371 HydrophobicContact CB-CD1 4.14Å; H369-F371 HydrophobicContact CB-CE1 3.78Å
370Y97.9Very high96.7Very high34 Ų3433.8 Ų33.813%0.13318%0.181CC..EExtended strand (participates in β ladder)trans-92.1131.6163.1-71.9-66.5000109.2M252 T253 L254 V341 A360 A361 A363M252-Y370 HydrophobicContact CE-CD1 4.34Å; M252-Y370 HydrophobicContact CE-CE1 4.33Å; M252-Y370 HydrophobicContact CG-CD1 3.84Å; M252-Y370 HydrophobicContact CG-CG 4.14Å; M252-Y370 HydrophobicContact SD-CD1 3.96Å; M252-Y370 HydrophobicContact SD-CD2 4.48Å; M252-Y370 HydrophobicContact SD-CE1 4.49Å; M252-Y370 HydrophobicContact SD-CG 3.97Å; T253-Y370 CarbonylContact O-C 3.35Å; T253-Y370 WeakPolarHBondContact O-CA 3.32Å; L254-Y370 HydrophobicContact CB-CD1 4.15Å; L254-Y370 HydrophobicContact CB-CE1 3.9Å; L254-Y370 HydrophobicContact CD1-CD1 3.96Å; L254-Y370 HydrophobicContact CD1-CE1 3.66Å; L254-Y370 HydrophobicContact CD1-CE2 4.48Å; L254-Y370 HydrophobicContact CD1-CG 4.49Å; L254-Y370 HydrophobicContact CG-CE1 4.32Å; V341-Y370 HydrophobicContact CB-CD2 3.94Å; V341-Y370 HydrophobicContact CB-CE2 3.98Å; V341-Y370 HydrophobicContact CG1-CD2 4.21Å; V341-Y370 HydrophobicContact CG1-CE2 3.88Å; V341-Y370 HydrophobicContact CG2-CD2 4.1Å; A360-Y370 VanDerWaalsContact CA-O 3.25Å; A360-Y370 WeakPolarHBondContact CA-O 3.34Å; A361-Y370 PolarHBondContact N-O 3.12Å; A361-Y370 VanDerWaalsContact N-O 3.08Å; A361-Y370 PolarHBondContact O-N 3.28Å; A363-Y370 HydrophobicContact CB-CD2 3.71Å; A363-Y370 HydrophobicContact CB-CE2 3.63Å; A363-Y370 HydrophobicContact CB-CG 4.31Å
371F97.5Very high96.6Very high26 Ų2635.8 Ų35.811%0.11419%0.193CC..EExtended strand (participates in β ladder)trans-108.9151.2171-71.912.9000109.2M252 T253 V255 L266 F270 L272 A360 H369M252-F371 CarbonylContact C-O 3.56Å; M252-F371 VanDerWaalsContact CA-O 3.3Å; M252-F371 WeakPolarHBondContact CA-O 3.47Å; T253-F371 PolarHBondContact N-O 2.9Å; T253-F371 PolarHBondContact O-N 3.2Å; V255-F371 HydrophobicContact CB-CD1 4.49Å; V255-F371 HydrophobicContact CB-CE1 4.44Å; V255-F371 HydrophobicContact CB-CZ 4.49Å; V255-F371 HydrophobicContact CG1-CE2 4.36Å; V255-F371 HydrophobicContact CG1-CZ 4.31Å; V255-F371 HydrophobicContact CG2-CB 4.23Å; V255-F371 HydrophobicContact CG2-CD1 4.22Å; V255-F371 HydrophobicContact CG2-CD2 3.9Å; V255-F371 HydrophobicContact CG2-CE2 4.27Å; V255-F371 HydrophobicContact CG2-CG 3.86Å; L266-F371 HydrophobicContact CD1-CE1 4.12Å; L266-F371 HydrophobicContact CD1-CZ 4.16Å; F270-F371 HydrophobicContact CB-CE2 3.84Å; F270-F371 HydrophobicContact CB-CZ 3.84Å; F270-F371 AromaticContact CD1-CE2 3.76Å; F270-F371 HydrophobicContact CD1-CE2 3.76Å; F270-F371 AromaticContact CD1-CZ 3.79Å; F270-F371 HydrophobicContact CD1-CZ 3.79Å; F270-F371 HydrophobicContact CD2-CZ 4.16Å; F270-F371 HydrophobicContact CE1-CZ 4.42Å; F270-F371 AromaticContact CG-CE2 3.9Å; F270-F371 HydrophobicContact CG-CE2 3.9Å; F270-F371 AromaticContact CG-CZ 3.65Å; F270-F371 HydrophobicContact CG-CZ 3.65Å; L272-F371 HydrophobicContact CD1-CD1 4.42Å; L272-F371 HydrophobicContact CD1-CD2 4.32Å; L272-F371 HydrophobicContact CD1-CE1 3.91Å; L272-F371 HydrophobicContact CD1-CE2 3.8Å; L272-F371 HydrophobicContact CD1-CZ 3.58Å; L272-F371 HydrophobicContact CD2-CD2 4.4Å; L272-F371 HydrophobicContact CD2-CE2 4.29Å; L272-F371 HydrophobicContact CG-CE2 4.27Å; L272-F371 HydrophobicContact CG-CZ 4.46Å; A360-F371 HydrophobicContact CB-CD1 3.55Å; A360-F371 HydrophobicContact CB-CE1 3.83Å; A360-F371 HydrophobicContact CB-CG 4.26Å; H369-F371 HydrophobicContact CB-CD1 4.14Å; H369-F371 HydrophobicContact CB-CE1 3.78Å
372G97.2Very high96.6Very high1 Ų137.4 Ų37.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans74.923.7179.600000113.7F359 N374 R377F359-G372 PolarHBondContact O-N 2.88Å; F359-G372 VanDerWaalsContact O-N 3.13Å; G372-N374 PolarHBondContact O-ND2 2.78Å; G372-R377 PolarHBondContact O-NH2 2.72Å
373I98Very high96.6Very high0 Ų041.8 Ų41.80%022%0.224CC..EExtended strand (participates in β ladder)trans-65.4134.9178-52.3168.2000109.2M252 V341 D358 F359 A361 D378 V379M252-I373 HydrophobicContact CG-CG1 4.26Å; M252-I373 HydrophobicContact SD-CG1 4.16Å; V341-I373 HydrophobicContact CG2-CD1 4.19Å; V341-I373 HydrophobicContact CG2-CG1 4.43Å; V341-I373 HydrophobicContact CG2-CG2 4.07Å; D358-I373 WeakPolarHBondContact CA-O 3.47Å; D358-I373 PolarHBondContact N-O 3.04Å; F359-I373 HydrophobicContact CD1-CB 4.2Å; F359-I373 WeakPolarHBondContact CD1-O 3.44Å; F359-I373 HydrophobicContact CD2-CB 3.99Å; F359-I373 HydrophobicContact CD2-CD1 3.99Å; F359-I373 HydrophobicContact CD2-CG2 4.49Å; F359-I373 HydrophobicContact CE1-CB 3.95Å; F359-I373 HydrophobicContact CE1-CG2 3.8Å; F359-I373 WeakPolarHBondContact CE1-O 3.42Å; F359-I373 HydrophobicContact CE2-CB 3.74Å; F359-I373 HydrophobicContact CE2-CD1 3.69Å; F359-I373 HydrophobicContact CE2-CG1 4.33Å; F359-I373 HydrophobicContact CE2-CG2 3.74Å; F359-I373 HydrophobicContact CG-CB 4.22Å; F359-I373 HydrophobicContact CZ-CB 3.71Å; F359-I373 HydrophobicContact CZ-CD1 4.41Å; F359-I373 HydrophobicContact CZ-CG2 3.34Å; F359-I373 PolarHBondContact N-O 2.79Å; F359-I373 WeakPolarHBondContact O-CB 3.41Å; F359-I373 WeakPolarHBondContact O-CG1 3.47Å; F359-I373 PolarHBondContact O-N 3.47Å; A361-I373 HydrophobicContact CB-CD1 3.61Å; I373-D378 HydrophobicContact CG2-CB 4.48Å; I373-V379 HydrophobicContact CG2-CG1 3.89Å
374N98.1Very high96.6Very high6 Ų645 Ų453%0.03224%0.242CC..  trans-129.6130.7172.6-74.1-86000110.9A248 S357 D358 G372 R377 D378A248-N374 WeakPolarHBondContact CA-OD1 3.49Å; A248-N374 HydrophobicContact CB-CB 3.98Å; A248-N374 WeakPolarHBondContact CB-OD1 3.15Å; S357-N374 WeakPolarHBondContact CA-OD1 3.33Å; S357-N374 WeakPolarHBondContact CB-OD1 3.46Å; D358-N374 PolarHBondContact N-OD1 3.04Å; D358-N374 PolarHBondContact OD1-ND2 2.82Å; G372-N374 PolarHBondContact O-ND2 2.78Å; N374-R377 HydrophobicContact CB-CB 4.25Å; N374-R377 PolarHBondContact ND2-NH2 2.99Å; N374-R377 VanDerWaalsContact ND2-NH2 3.13Å; N374-D378 PolarHBondContact N-OD2 3.21Å; N374-D378 PolarHBondContact O-N 2.77Å
375W97.1Very high96.6Very high11 Ų1144.9 Ų44.94%0.04224%0.244CC..BIsolated β-bridgetrans-57.1146.4171.8-62121.2000111.5R245 P340 I349 V353 M356 F359 R377 V379 P382R245-W375 VanDerWaalsContact CZ-CB 3.44Å; P340-W375 HydrophobicContact CB-CH2 3.82Å; P340-W375 HydrophobicContact CB-CZ3 4.02Å; P340-W375 HydrophobicContact CG-CH2 3.84Å; P340-W375 HydrophobicContact CG-CZ3 4.27Å; I349-W375 HydrophobicContact CD1-CH2 4.43Å; I349-W375 HydrophobicContact CD1-CZ2 4.17Å; I349-W375 HydrophobicContact CG2-CH2 3.97Å; I349-W375 HydrophobicContact CG2-CZ2 4.28Å; V353-W375 HydrophobicContact CG1-CH2 4.48Å; V353-W375 HydrophobicContact CG1-CZ2 3.61Å; V353-W375 PolarHBondContact O-NE1 3.01Å; M356-W375 VanDerWaalsContact O-CD1 3.28Å; F359-W375 HydrophobicContact CE1-CD2 4.09Å; F359-W375 AromaticContact CE1-CE2 3.55Å; F359-W375 HydrophobicContact CE1-CG 4.31Å; F359-W375 AromaticContact CE1-CZ2 3.84Å; F359-W375 HydrophobicContact CE1-CZ2 3.84Å; F359-W375 AromaticContact CE1-NE1 3.55Å; F359-W375 HydrophobicContact CE2-CZ2 4.18Å; F359-W375 HydrophobicContact CZ-CD2 4.14Å; F359-W375 AromaticContact CZ-CE2 3.56Å; F359-W375 AromaticContact CZ-CH2 3.83Å; F359-W375 HydrophobicContact CZ-CH2 3.83Å; F359-W375 AromaticContact CZ-CZ2 3.37Å; F359-W375 HydrophobicContact CZ-CZ2 3.37Å; F359-W375 HydrophobicContact CZ-CZ3 4.39Å; W375-R377 PolarHBondContact O-N 3.13Å; W375-V379 CarbonylContact C-O 3.59Å; W375-V379 WeakPolarHBondContact CA-O 3.48Å; W375-V379 HydrophobicContact CE3-CG1 3.63Å; W375-V379 HydrophobicContact CZ3-CG1 3.61Å; W375-V379 HydrophobicContact CZ3-CG2 4.25Å; W375-P382 HydrophobicContact CZ3-CG 4.18Å
376D95.2Very high96.7Very high105 Ų10542.6 Ų42.656%0.56123%0.233SC*.THydrogen-bonded Turntrans62.6-17.2180-47.4-47.4000115.7R245 V379 T381R245-D376 IonicContact CZ-OD2 3.7Å; R245-D376 IonicContact NH1-OD2 2.8Å; R245-D376 PolarHBondContact NH1-OD2 2.66Å; D376-V379 PolarHBondContact N-O 2.84Å; D376-T381 WeakPolarHBondContact OD1-CB 3.28Å; D376-T381 PolarHBondContact OD1-N 2.87Å; D376-T381 PolarHBondContact OD1-OG1 2.87Å; D376-T381 PolarHBondContact OD2-OG1 3.07Å
377R95.5Very high96.8Very high111 Ų11138.8 Ų38.842%0.41921%0.213SC..THydrogen-bonded Turntrans-87-54.2167.8-172.7-168.272.3-171.2-2.1111.7Q250 G372 N374 W375Q250-R377 VanDerWaalsContact O-CZ 3.29Å; Q250-R377 PolarHBondContact O-NH1 2.96Å; Q250-R377 PolarHBondContact O-NH2 2.82Å; G372-R377 PolarHBondContact O-NH2 2.72Å; N374-R377 HydrophobicContact CB-CB 4.25Å; N374-R377 PolarHBondContact ND2-NH2 2.99Å; N374-R377 VanDerWaalsContact ND2-NH2 3.13Å; W375-R377 PolarHBondContact O-N 3.13Å
378D96.5Very high96.9Very high47 Ų4738.1 Ų38.125%0.25120%0.204SC..THydrogen-bonded Turntrans-102.9-32.2-173.1-51.3-43.2000112.3M252 I373 N374M252-D378 HydrophobicContact CE-CB 4.12Å; M252-D378 HydrophobicContact SD-CB 3.78Å; I373-D378 HydrophobicContact CG2-CB 4.48Å; N374-D378 PolarHBondContact N-OD2 3.21Å; N374-D378 PolarHBondContact O-N 2.77Å
379V95.6Very high96.9Very high24 Ų2437 Ų3715%0.14520%0.201CC..BIsolated β-bridgetrans-148.8131.9179.953.50000109.1P340 V341 I373 W375 D376P340-V379 HydrophobicContact CB-CG2 4.44Å; V341-V379 HydrophobicContact CG2-CB 4.36Å; V341-V379 HydrophobicContact CG2-CG1 4.22Å; I373-V379 HydrophobicContact CG2-CG1 3.89Å; W375-V379 CarbonylContact C-O 3.59Å; W375-V379 WeakPolarHBondContact CA-O 3.48Å; W375-V379 HydrophobicContact CE3-CG1 3.63Å; W375-V379 HydrophobicContact CZ3-CG1 3.61Å; W375-V379 HydrophobicContact CZ3-CG2 4.25Å; D376-V379 PolarHBondContact N-O 2.84Å
380A95.6Very high96.9Very high75 Ų7536.4 Ų36.462%0.6220%0.198SC*.  trans-60.4140.4179.100000110.9P382A380-P382 WeakPolarHBondContact O-CD 3.29Å
381T96.4Very high96.8Very high44 Ų4437.6 Ų37.627%0.2721%0.209SC..  trans-61.5118175.8-56.30000110.1R245 I349 D376 V384R245-T381 PolarHBondContact NH1-OG1 3.01Å; R245-T381 PolarHBondContact NH2-OG1 2.86Å; I349-T381 HydrophobicContact CD1-CG2 4.08Å; D376-T381 WeakPolarHBondContact OD1-CB 3.28Å; D376-T381 PolarHBondContact OD1-N 2.87Å; D376-T381 PolarHBondContact OD1-OG1 2.87Å; D376-T381 PolarHBondContact OD2-OG1 3.07Å; T381-V384 HydrophobicContact CG2-CG2 4.3Å
382P96Very high96.7Very high33 Ų3339.8 Ų39.821%0.21423%0.232CC..  trans-74.7-172177.8-15.732.1000113.2V347 I349 W375 A380 V384V347-P382 HydrophobicContact CB-CB 3.91Å; V347-P382 HydrophobicContact CB-CG 3.96Å; V347-P382 HydrophobicContact CG1-CB 4.1Å; V347-P382 HydrophobicContact CG1-CG 3.85Å; V347-P382 WeakPolarHBondContact O-CB 3.4Å; I349-P382 HydrophobicContact CG1-CB 4.48Å; I349-P382 HydrophobicContact CG2-CG 4.17Å; W375-P382 HydrophobicContact CZ3-CG 4.18Å; A380-P382 WeakPolarHBondContact O-CD 3.29Å; P382-V384 PolarHBondContact O-N 2.85Å
383E96.7Very high96.6Very high94 Ų9442 Ų4244%0.43926%0.255SS..EExtended strand (participates in β ladder)trans-58.3136170.3-174.7179.2165.400110.8Q314 V348 I349Q314-E383 PolarHBondContact NE2-OE2 2.95Å; V348-E383 WeakPolarHBondContact CA-O 3.44Å; I349-E383 WeakPolarHBondContact CG1-O 3.3Å; I349-E383 PolarHBondContact N-O 2.83Å
384V97.2Very high96.5Very high70 Ų7043.1 Ų43.142%0.42426%0.261SS..EExtended strand (participates in β ladder)trans-110.2127.5-178.8-175.10000109.3I349 R351 A354 T381 P382I349-V384 HydrophobicContact CD1-CG2 4.11Å; I349-V384 HydrophobicContact CG1-CG2 4.05Å; I349-V384 WeakPolarHBondContact O-CA 3.43Å; R351-V384 HydrophobicContact CB-CG1 4.4Å; R351-V384 HydrophobicContact CG-CG1 3.97Å; A354-V384 HydrophobicContact CB-CG1 3.89Å; A354-V384 HydrophobicContact CB-CG2 3.78Å; T381-V384 HydrophobicContact CG2-CG2 4.3Å; P382-V384 PolarHBondContact O-N 2.85Å
385A97.3Very high96.4Very high16 Ų1645.7 Ų45.713%0.13228%0.278CS..EExtended strand (participates in β ladder)trans-140.6163177.400000111.5L312 V348 I349 D350 R351 I387L312-A385 HydrophobicContact CD2-CB 3.71Å; V348-A385 HydrophobicContact CG1-CB 3.79Å; I349-A385 PolarHBondContact O-N 3.13Å; I349-A385 VanDerWaalsContact O-N 3.08Å; D350-A385 WeakPolarHBondContact CA-O 3.45Å; R351-A385 PolarHBondContact N-O 2.75Å; A385-I387 HydrophobicContact CB-CG2 3.87Å; A385-I387 PolarHBondContact O-N 3.42Å
386D97.4Very high96.3Very high26 Ų2645.2 Ų45.214%0.13928%0.276CS..  trans-80.4109164.9177.27.5000108.2E237 A238 K308E237-D386 WeakPolarHBondContact CA-OD2 3.48Å; A238-D386 WeakPolarHBondContact CB-OD1 3.48Å; A238-D386 PolarHBondContact N-OD2 2.94Å; K308-D386 WeakPolarHBondContact CD-OD1 3.15Å; K308-D386 WeakPolarHBondContact CE-OD2 3.09Å; K308-D386 IonicContact NZ-OD1 3.04Å; K308-D386 PolarHBondContact NZ-OD1 2.99Å; K308-D386 IonicContact NZ-OD2 3.55Å; K308-D386 PolarHBondContact NZ-OD2 3.18Å
387I97.6Very high96.2Very high0 Ų041.8 Ų41.80%026%0.26CS..  trans-132.36.5-176.961.3172000112.5L296 V298 L304 N305 L312 V348 D350 A385L296-I387 HydrophobicContact CB-CD1 4.23Å; V298-I387 HydrophobicContact CG1-CD1 4.12Å; V298-I387 HydrophobicContact CG1-CG1 4.03Å; L304-I387 HydrophobicContact CD1-CB 4.13Å; L304-I387 HydrophobicContact CD1-CD1 4.22Å; L304-I387 HydrophobicContact CD1-CG1 4.36Å; L304-I387 WeakPolarHBondContact CD1-O 3.35Å; N305-I387 PolarHBondContact N-O 3.05Å; L312-I387 HydrophobicContact CD1-CG2 3.87Å; L312-I387 HydrophobicContact CD2-CG2 4.49Å; L312-I387 HydrophobicContact CG-CG2 4.49Å; V348-I387 HydrophobicContact CG1-CG2 4.46Å; D350-I387 HydrophobicContact CB-CD1 4.17Å; D350-I387 HydrophobicContact CB-CG1 3.67Å; D350-I387 PolarHBondContact OD2-N 3.12Å; A385-I387 HydrophobicContact CB-CG2 3.87Å; A385-I387 PolarHBondContact O-N 3.42Å
388R97.5Very high96.2Very high5 Ų539.5 Ų39.52%0.01926%0.256CS..BIsolated β-bridgetrans-106.6157.2-179.571.8170.9-176.991.1-7.1112.3A238 V298 H302 E303 K308 D350 D394A238-R388 HydrophobicContact CB-CG 3.66Å; V298-R388 HydrophobicContact CG1-CB 4.31Å; H302-R388 HydrophobicContact CB-CB 4.24Å; H302-R388 VanDerWaalsContact ND1-CD 3.26Å; H302-R388 WeakPolarHBondContact ND1-CD 3.48Å; E303-R388 VanDerWaalsContact O-CA 3.27Å; E303-R388 WeakPolarHBondContact O-CA 3.44Å; K308-R388 PolarHBondContact NZ-O 2.94Å; D350-R388 WeakPolarHBondContact OD1-CD 3.34Å; D350-R388 IonicContact OD1-NE 2.84Å; D350-R388 WeakPolarHBondContact OD2-CG 3.37Å; R388-D394 IonicContact CZ-OD2 3.76Å; R388-D394 VanDerWaalsContact CZ-OD2 3.29Å; R388-D394 IonicContact NH1-OD2 3.9Å; R388-D394 PolarHBondContact NH1-OD2 3.48Å; R388-D394 VanDerWaalsContact NH2-CG 3.34Å; R388-D394 IonicContact NH2-OD1 2.87Å; R388-D394 PolarHBondContact NH2-OD1 3.11Å; R388-D394 VanDerWaalsContact NH2-OD1 3.16Å; R388-D394 IonicContact NH2-OD2 2.72Å; R388-D394 PolarHBondContact NH2-OD2 2.81Å
389N97.8Very high96Very high33 Ų3340.2 Ų40.218%0.17628%0.275CS..  trans-68.9145.6160.6-74.6-22.5000109.9I233 E303 N305I233-N389 HydrophobicContact CD1-CB 4.11Å; I233-N389 HydrophobicContact CG1-CB 4.14Å; E303-N389 PolarHBondContact O-N 3.47Å; N305-N389 WeakPolarHBondContact CB-OD1 3.34Å; N305-N389 VanDerWaalsContact CG-OD1 3.29Å; N305-N389 PolarHBondContact ND2-OD1 2.92Å
390V96.7Very high95.9Very high4 Ų444.2 Ų44.22%0.02429%0.291CS..  trans-69.2154.8166.6-65.70000110.2V222 I233 A236 E237 A238 D394 L403V222-V390 HydrophobicContact CB-CG2 4.37Å; V222-V390 HydrophobicContact CG1-CG2 3.91Å; V222-V390 HydrophobicContact CG2-CG2 3.55Å; I233-V390 HydrophobicContact CG1-CG2 4.22Å; A236-V390 HydrophobicContact CB-CG1 4.21Å; A236-V390 HydrophobicContact CB-CG2 3.76Å; A236-V390 WeakPolarHBondContact O-CG1 3.43Å; E237-V390 WeakPolarHBondContact O-CG1 3.47Å; A238-V390 HydrophobicContact CB-CG1 3.97Å; V390-D394 WeakPolarHBondContact CA-OD2 3.12Å; V390-L403 HydrophobicContact CB-CD1 3.9Å; V390-L403 HydrophobicContact CG1-CD1 3.84Å; V390-L403 HydrophobicContact CG2-CD1 4.18Å
391V95.8Very high95.9Very high58 Ų5842.2 Ų42.235%0.35228%0.279SS..  trans-118.4155.6174.1-62.80000110.3G393 D394V391-G393 PolarHBondContact O-N 3.33Å; V391-D394 PolarHBondContact N-OD2 2.92Å; V391-D394 VanDerWaalsContact O-CB 3.29Å; V391-D394 WeakPolarHBondContact O-CB 3.22Å; V391-D394 PolarHBondContact O-N 3.13Å
392A95.3Very high95.9Very high72 Ų7242.7 Ų42.760%0.59528%0.281SS*.THydrogen-bonded Turntrans-58.7130.2177.400000110.7L403 I405A392-L403 WeakPolarHBondContact CA-O 3.39Å; A392-I405 HydrophobicContact CB-CD1 4.46Å; A392-I405 HydrophobicContact CB-CG1 4.39Å
393G95Very high95.9Very high48 Ų4841.1 Ų41.150%0.49527%0.271SS..THydrogen-bonded Turntrans91.3-5.2-174.800000114.9V391 L403V391-G393 PolarHBondContact O-N 3.33Å; G393-L403 PolarHBondContact N-O 2.88Å
394D96Very high95.8Very high24 Ų2440.2 Ų40.213%0.12827%0.269CS..PPolyproline II helixtrans-56.6149.2167.8-91.4-27.4000110.8R388 V390 V391 T402 L403R388-D394 IonicContact CZ-OD2 3.76Å; R388-D394 VanDerWaalsContact CZ-OD2 3.29Å; R388-D394 IonicContact NH1-OD2 3.9Å; R388-D394 PolarHBondContact NH1-OD2 3.48Å; R388-D394 VanDerWaalsContact NH2-CG 3.34Å; R388-D394 IonicContact NH2-OD1 2.87Å; R388-D394 PolarHBondContact NH2-OD1 3.11Å; R388-D394 VanDerWaalsContact NH2-OD1 3.16Å; R388-D394 IonicContact NH2-OD2 2.72Å; R388-D394 PolarHBondContact NH2-OD2 2.81Å; V390-D394 WeakPolarHBondContact CA-OD2 3.12Å; V391-D394 PolarHBondContact N-OD2 2.92Å; V391-D394 VanDerWaalsContact O-CB 3.29Å; V391-D394 WeakPolarHBondContact O-CB 3.22Å; V391-D394 PolarHBondContact O-N 3.13Å; D394-T402 CarbonylContact O-C 3.57Å; D394-T402 VanDerWaalsContact O-CA 3.3Å; D394-T402 WeakPolarHBondContact O-CA 3.44Å; D394-L403 HydrophobicContact CB-CB 4.48Å; D394-L403 HydrophobicContact CB-CD1 3.99Å; D394-L403 HydrophobicContact CB-CG 4.43Å; D394-L403 WeakPolarHBondContact O-CG 3.38Å; D394-L403 PolarHBondContact O-N 2.81Å
395P95.2Very high95.7Very high59 Ų5939.3 Ų39.338%0.38326%0.261SS..BIsolated β-bridgetrans-65.2138.517527.8-33.9000110.9I239I239-P395 HydrophobicContact CB-CG 4.45Å; I239-P395 HydrophobicContact CD1-CB 4.08Å; I239-P395 HydrophobicContact CD1-CG 4.03Å; I239-P395 WeakPolarHBondContact CD1-O 3.36Å
396S95.7Very high95.5Very high1 Ų143.4 Ų43.41%0.00728%0.276CS..PPolyproline II helixtrans-66.4135.8176.4-176.20000111.5I239 D398 G399 Q400 G401I239-S396 VanDerWaalsContact CD1-O 3.26Å; I239-S396 WeakPolarHBondContact CD1-O 3.48Å; S396-D398 VanDerWaalsContact CB-OD1 3.22Å; S396-D398 WeakPolarHBondContact CB-OD1 3.27Å; S396-D398 PolarHBondContact O-N 3.08Å; S396-D398 PolarHBondContact OG-OD1 3.32Å; S396-G399 WeakPolarHBondContact O-CA 3.19Å; S396-G399 PolarHBondContact O-N 3.24Å; S396-Q400 WeakPolarHBondContact CB-O 3.4Å; S396-G401 PolarHBondContact N-O 2.84Å; S396-G401 VanDerWaalsContact N-O 3.09Å
397P94.1Very high95.3Very high34 Ų3448.3 Ų48.322%0.22129%0.293CS..THydrogen-bonded Turntrans-64.8-21.9-174.725.3-33.5000114.2Y229 E237 I239 G399Y229-P397 HydrophobicContact CD1-CG 4.16Å; Y229-P397 HydrophobicContact CD2-CG 4.01Å; Y229-P397 HydrophobicContact CE1-CG 3.65Å; Y229-P397 HydrophobicContact CE2-CG 3.48Å; Y229-P397 VanDerWaalsContact CE2-CG 3.48Å; Y229-P397 HydrophobicContact CG-CG 4.32Å; E237-P397 HydrophobicContact CB-CB 4.04Å; E237-P397 HydrophobicContact CB-CG 4.45Å; I239-P397 VanDerWaalsContact CD1-CA 3.45Å; I239-P397 HydrophobicContact CD1-CB 4.38Å; I239-P397 HydrophobicContact CG1-CB 4.18Å; P397-G399 PolarHBondContact O-N 3.18Å
398D93.9Very high95.1Very high62 Ų6248.3 Ų48.333%0.33229%0.293SS..THydrogen-bonded Turntrans-78.9-0.3171.471-12.2000113.7S227 S396 Q400S227-D398 WeakPolarHBondContact CB-OD2 3.39Å; S227-D398 PolarHBondContact OG-OD2 3.47Å; S396-D398 VanDerWaalsContact CB-OD1 3.22Å; S396-D398 WeakPolarHBondContact CB-OD1 3.27Å; S396-D398 PolarHBondContact O-N 3.08Å; S396-D398 PolarHBondContact OG-OD1 3.32Å; D398-Q400 VanDerWaalsContact C-N 3.29Å; D398-Q400 PolarHBondContact O-N 2.86Å; D398-Q400 PolarHBondContact OD1-N 2.91Å; D398-Q400 PolarHBondContact OD2-NE2 2.84Å
399G93.6Very high95Very high63 Ų6348.6 Ų48.665%0.64929%0.294SS*.SBendtrans79.15-179.200000114.6S396 P397S396-G399 WeakPolarHBondContact O-CA 3.19Å; S396-G399 PolarHBondContact O-N 3.24Å; P397-G399 PolarHBondContact O-N 3.18Å
400Q94.1Very high94.9Very high107 Ų10749.6 Ų49.650%0.530%0.298SS..SBendtrans-110.4103.7-176.9-62.9-178.193.900110.9S224 T226 S396 D398S224-Q400 PolarHBondContact OG-O 3.42Å; T226-Q400 PolarHBondContact OG1-O 3.49Å; S396-Q400 WeakPolarHBondContact CB-O 3.4Å; D398-Q400 VanDerWaalsContact C-N 3.29Å; D398-Q400 PolarHBondContact O-N 2.86Å; D398-Q400 PolarHBondContact OD1-N 2.91Å; D398-Q400 PolarHBondContact OD2-NE2 2.84Å
401G94.7Very high94.9Very high34 Ų3449.4 Ų49.435%0.35130%0.297SS..SBendtrans76.2-154.5173.400000114.8D225 T226 S396D225-G401 WeakPolarHBondContact OD1-CA 3.3Å; T226-G401 VanDerWaalsContact OG1-CA 3.29Å; T226-G401 WeakPolarHBondContact OG1-CA 3.41Å; T226-G401 PolarHBondContact OG1-N 2.86Å; S396-G401 PolarHBondContact N-O 2.84Å; S396-G401 VanDerWaalsContact N-O 3.09Å
402T96.2Very high95Very high53 Ų5346.7 Ų46.733%0.32528%0.281SS..BIsolated β-bridgetrans-125.2157.4-177.665.80000112D225 D394D225-T402 PolarHBondContact N-O 2.81Å; D225-T402 PolarHBondContact OD1-N 2.75Å; D225-T402 PolarHBondContact OD2-N 3.14Å; D225-T402 PolarHBondContact OD2-OG1 2.98Å; D394-T402 CarbonylContact O-C 3.57Å; D394-T402 VanDerWaalsContact O-CA 3.3Å; D394-T402 WeakPolarHBondContact O-CA 3.44Å
403L96.4Very high95Very high0 Ų044.3 Ų44.30%026%0.257CS..EExtended strand (participates in β ladder)trans-83.6126.9-176.2-62.6-177.8000111.1V222 Y229 V390 A392 G393 D394V222-L403 HydrophobicContact CG1-CB 3.95Å; V222-L403 HydrophobicContact CG1-CD1 3.83Å; V222-L403 HydrophobicContact CG1-CD2 3.8Å; V222-L403 HydrophobicContact CG1-CG 4.06Å; Y229-L403 HydrophobicContact CD1-CD2 3.86Å; Y229-L403 HydrophobicContact CE1-CD2 3.86Å; V390-L403 HydrophobicContact CB-CD1 3.9Å; V390-L403 HydrophobicContact CG1-CD1 3.84Å; V390-L403 HydrophobicContact CG2-CD1 4.18Å; A392-L403 WeakPolarHBondContact CA-O 3.39Å; G393-L403 PolarHBondContact N-O 2.88Å; D394-L403 HydrophobicContact CB-CB 4.48Å; D394-L403 HydrophobicContact CB-CD1 3.99Å; D394-L403 HydrophobicContact CB-CG 4.43Å; D394-L403 WeakPolarHBondContact O-CG 3.38Å; D394-L403 PolarHBondContact O-N 2.81Å
404L94.6Very high95.1Very high75 Ų7542 Ų4239%0.39323%0.234SC..EExtended strand (participates in β ladder)trans-100.3143.9166.5-62.2173.6000108.7V222 F223 D225V222-L404 WeakPolarHBondContact CA-O 3.25Å; F223-L404 HydrophobicContact CD2-CB 4.1Å; F223-L404 HydrophobicContact CD2-CD1 4.32Å; F223-L404 HydrophobicContact CE1-CB 4.19Å; F223-L404 HydrophobicContact CE2-CB 3.56Å; F223-L404 HydrophobicContact CE2-CD1 3.59Å; F223-L404 HydrophobicContact CE2-CG 4.19Å; F223-L404 HydrophobicContact CZ-CB 3.56Å; F223-L404 HydrophobicContact CZ-CD1 4.21Å; F223-L404 PolarHBondContact N-O 3.13Å; F223-L404 PolarHBondContact O-N 2.69Å; D225-L404 HydrophobicContact CB-CD1 3.87Å; D225-L404 HydrophobicContact CB-CG 4.15Å
405I94.4Very high95Very high52 Ų5241.6 Ų41.627%0.26723%0.231SC..EExtended strand (participates in β ladder)trans-117.9124.6176.4-52.6-178.5000108D220 V221 V222 I233 A392D220-I405 HydrophobicContact CB-CG2 3.93Å; V221-I405 WeakPolarHBondContact O-CA 3.3Å; V222-I405 HydrophobicContact CG2-CG1 4.36Å; I233-I405 HydrophobicContact CD1-CD1 4.46Å; A392-I405 HydrophobicContact CB-CD1 4.46Å; A392-I405 HydrophobicContact CB-CG1 4.39Å
406K93.3Very high95Very high102 Ų10238.9 Ų38.944%0.44321%0.213SC..EExtended strand (participates in β ladder)trans-129.3159.6171.5-71.3179.6178.2172.90109.8L213 V221 F223L213-K406 HydrophobicContact CD1-CD 4.21Å; V221-K406 WeakPolarHBondContact CA-O 3.48Å; V221-K406 WeakPolarHBondContact CB-O 3.2Å; V221-K406 PolarHBondContact N-O 2.77Å; V221-K406 PolarHBondContact O-N 3.27Å; F223-K406 HydrophobicContact CE1-CB 3.79Å; F223-K406 HydrophobicContact CE1-CD 3.7Å; F223-K406 HydrophobicContact CE1-CG 3.63Å; F223-K406 HydrophobicContact CZ-CB 4.3Å; F223-K406 HydrophobicContact CZ-CD 3.42Å; F223-K406 VanDerWaalsContact CZ-CD 3.42Å; F223-K406 HydrophobicContact CZ-CG 3.61Å
407R93.6Very high94.9Very high129 Ų12939.1 Ų39.149%0.48721%0.214SC..EExtended strand (participates in β ladder)trans-82.1139.5172.5-72.9-172156.2-169.2-9.2112.5A214 Q215 G217 D219 D220A214-R407 PolarHBondContact N-O 3Å; A214-R407 CarbonylContact O-C 3.59Å; A214-R407 WeakPolarHBondContact O-CB 3.34Å; A214-R407 VanDerWaalsContact O-O 3.09Å; Q215-R407 WeakPolarHBondContact O-CD 3.5Å; G217-R407 WeakPolarHBondContact O-CD 3.46Å; D219-R407 CarbonylContact O-C 3.58Å; D219-R407 VanDerWaalsContact O-CA 3.32Å; D219-R407 WeakPolarHBondContact O-CA 3.47Å; D220-R407 IonicContact OD1-NE 2.74Å
408G93.8Very high94.9Very high0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans-127.5146.8-17900000112.5Q211 V212 G217 E218 D219Q211-G408 PolarHBondContact OE1-O 3.38Å; V212-G408 CarbonylContact O-C 3.55Å; V212-G408 WeakPolarHBondContact O-CA 3.39Å; G217-G408 CarbonylContact C-O 3.55Å; G217-G408 WeakPolarHBondContact CA-O 3.37Å; E218-G408 PolarHBondContact N-O 3.36Å; D219-G408 PolarHBondContact N-O 3.49Å; D219-G408 PolarHBondContact O-N 3.01Å
409I95.1Very high95Very high11 Ų1137.6 Ų37.66%0.05621%0.21CC..EExtended strand (participates in β ladder)trans-103.9113.9166.7-58.8164.7000107.4M150 Q211 V212 A214 V411 R450 A454 E457M150-I409 HydrophobicContact SD-CD1 3.82Å; M150-I409 HydrophobicContact SD-CG1 4.46Å; M150-I409 HydrophobicContact SD-CG2 4.3Å; Q211-I409 PolarHBondContact OE1-O 3.19Å; V212-I409 PolarHBondContact N-O 3.34Å; V212-I409 PolarHBondContact O-N 3.29Å; A214-I409 HydrophobicContact CB-CD1 3.67Å; A214-I409 HydrophobicContact CB-CG1 4.2Å; I409-V411 HydrophobicContact CG2-CG1 4.33Å; I409-V411 PolarHBondContact O-N 3.28Å; I409-R450 HydrophobicContact CG2-CG 4Å; I409-A454 HydrophobicContact CB-CB 4.42Å; I409-A454 HydrophobicContact CD1-CB 4.11Å; I409-A454 HydrophobicContact CG2-CB 4.17Å; I409-E457 HydrophobicContact CD1-CB 3.95Å; I409-E457 HydrophobicContact CD1-CG 3.84Å
410E95.4Very high94.9Very high53 Ų5338.2 Ų38.225%0.24820%0.195CC..EExtended strand (participates in β ladder)trans-64.1106.5176-170-140130.600109.9E209 D219 H413 R450E209-E410 HydrophobicContact CB-CG 4.38Å; E209-E410 HydrophobicContact CG-CG 4.12Å; D219-E410 WeakPolarHBondContact OD2-CB 3.47Å; E410-H413 IonicContact OE1-ND1 3.29Å; E410-R450 WeakPolarHBondContact O-CD 3.42Å; E410-R450 PolarHBondContact O-NH1 2.69Å; E410-R450 IonicContact OE2-NH1 2.87Å
411V97.3Very high95Very high1 Ų133.3 Ų33.31%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-101.9-15.4179.2-70.90000113F185 F210 V212 I409 I446 G447 V451 A454F185-V411 HydrophobicContact CD1-CG2 4.09Å; F185-V411 HydrophobicContact CE1-CB 4.01Å; F185-V411 HydrophobicContact CE1-CG2 3.49Å; F185-V411 VanDerWaalsContact CE1-CG2 3.49Å; F185-V411 HydrophobicContact CE2-CG2 4.08Å; F185-V411 HydrophobicContact CZ-CB 4.15Å; F185-V411 HydrophobicContact CZ-CG2 3.48Å; F185-V411 VanDerWaalsContact CZ-CG2 3.48Å; F210-V411 HydrophobicContact CB-CG2 4.29Å; F210-V411 WeakPolarHBondContact O-CG2 3.36Å; F210-V411 PolarHBondContact O-N 2.95Å; V212-V411 HydrophobicContact CB-CG1 4.18Å; V212-V411 HydrophobicContact CG2-CB 4.28Å; V212-V411 HydrophobicContact CG2-CG1 3.69Å; V212-V411 HydrophobicContact CG2-CG2 3.61Å; I409-V411 HydrophobicContact CG2-CG1 4.33Å; I409-V411 PolarHBondContact O-N 3.28Å; V411-I446 CarbonylContact O-C 3.52Å; V411-I446 VanDerWaalsContact O-CA 3.3Å; V411-I446 WeakPolarHBondContact O-CA 3.45Å; V411-I446 WeakPolarHBondContact O-CG2 3.05Å; V411-G447 PolarHBondContact O-N 2.73Å; V411-V451 HydrophobicContact CB-CG2 3.8Å; V411-V451 HydrophobicContact CG1-CG2 4.02Å; V411-A454 HydrophobicContact CG1-CB 3.69Å
412G97Very high95.1Very high1 Ų131.7 Ų31.71%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-161.8160.7173.400000112.7E209 F210 G445E209-G412 CarbonylContact C-O 3.55Å; E209-G412 WeakPolarHBondContact CA-O 3.44Å; F210-G412 PolarHBondContact N-O 2.83Å; F210-G412 PolarHBondContact O-N 2.93Å; G412-G445 CarbonylContact C-O 3.46Å; G412-G445 WeakPolarHBondContact CA-O 3.27Å
413H96.1Very high95.1Very high22 Ų2234.5 Ų34.510%0.10217%0.165CC..EExtended strand (participates in β ladder)trans-148.9133.3-174.9-152.7155.9000109.5S207 H208 E209 E410 F415 Y444 G445S207-H413 PolarHBondContact OG-CD2 3.49Å; S207-H413 PolarHBondContact OG-NE2 3.25Å; H208-H413 WeakPolarHBondContact O-CA 3.12Å; H208-H413 PolarHBondContact O-CD2 3.34Å; H208-H413 VanDerWaalsContact O-CD2 3.28Å; E209-H413 VanDerWaalsContact CG-CE1 3.45Å; E209-H413 WeakPolarHBondContact CG-CE1 3.24Å; E209-H413 WeakPolarHBondContact CG-NE2 3.28Å; E209-H413 IonicContact OE1-CE1 2.8Å; E209-H413 PolarHBondContact OE1-CE1 3.31Å; E209-H413 IonicContact OE1-NE2 3.67Å; E410-H413 IonicContact OE1-ND1 3.29Å; H413-F415 HydrophobicContact CB-CD2 4.46Å; H413-F415 HydrophobicContact CB-CE2 3.66Å; H413-F415 HydrophobicContact CB-CZ 4.15Å; H413-F415 AromaticContact CD2-CE1 3.78Å; H413-F415 AromaticContact CD2-CE2 3.5Å; H413-F415 AromaticContact CD2-CZ 3.35Å; H413-F415 WeakPolarHBondContact CD2-CZ 3.12Å; H413-F415 AromaticContact CE1-CE1 3.59Å; H413-F415 AromaticContact CE1-CE2 3.99Å; H413-F415 AromaticContact CE1-CZ 3.15Å; H413-F415 WeakPolarHBondContact CE1-CZ 3.41Å; H413-F415 AromaticContact CG-CE2 3.24Å; H413-F415 AromaticContact CG-CZ 3.24Å; H413-F415 AromaticContact ND1-CE1 3.99Å; H413-F415 AromaticContact ND1-CE2 3.55Å; H413-F415 AromaticContact ND1-CZ 3.09Å; H413-F415 WeakPolarHBondContact ND1-CZ 3.37Å; H413-F415 AromaticContact NE2-CE1 3.43Å; H413-F415 WeakPolarHBondContact NE2-CE1 3.43Å; H413-F415 AromaticContact NE2-CE2 3.96Å; H413-F415 AromaticContact NE2-CZ 3.3Å; H413-F415 VanDerWaalsContact NE2-CZ 3.3Å; H413-F415 WeakPolarHBondContact NE2-CZ 3.42Å; H413-Y444 CarbonylContact O-C 3.54Å; H413-Y444 WeakPolarHBondContact O-CA 3.4Å; H413-G445 PolarHBondContact N-O 2.89Å; H413-G445 PolarHBondContact O-N 3.34Å
414I96.7Very high95.1Very high0 Ų036.4 Ų36.40%018%0.181CC..EExtended strand (participates in β ladder)trans-122.6130.9177.759.4167.2000111Y174 Y178 Y181 S207 H208 F210 Y444Y174-I414 HydrophobicContact CD1-CD1 4.22Å; Y174-I414 HydrophobicContact CD2-CD1 4.34Å; Y174-I414 HydrophobicContact CE1-CD1 3.67Å; Y174-I414 HydrophobicContact CE1-CG1 4.36Å; Y174-I414 HydrophobicContact CE2-CB 3.97Å; Y174-I414 HydrophobicContact CE2-CD1 3.81Å; Y174-I414 HydrophobicContact CE2-CG1 3.78Å; Y174-I414 VanDerWaalsContact CZ-CD1 3.45Å; Y174-I414 WeakPolarHBondContact OH-CG1 3.23Å; Y174-I414 PolarHBondContact OH-O 3.02Å; Y178-I414 HydrophobicContact CD2-CD1 4Å; Y178-I414 HydrophobicContact CG-CD1 4.42Å; Y181-I414 HydrophobicContact CD2-CG2 3.88Å; Y181-I414 HydrophobicContact CE2-CG2 3.47Å; Y181-I414 VanDerWaalsContact CE2-CG2 3.47Å; S207-I414 VanDerWaalsContact CA-O 3.28Å; S207-I414 WeakPolarHBondContact CA-O 3.3Å; S207-I414 PolarHBondContact OG-O 3.45Å; H208-I414 HydrophobicContact CB-CD1 4.12Å; H208-I414 HydrophobicContact CB-CG1 3.75Å; H208-I414 PolarHBondContact N-O 3.19Å; H208-I414 WeakPolarHBondContact O-CG1 3.4Å; H208-I414 PolarHBondContact O-N 2.91Å; F210-I414 HydrophobicContact CE2-CD1 4.14Å; F210-I414 HydrophobicContact CE2-CG1 4.19Å; F210-I414 HydrophobicContact CE2-CG2 4.41Å; I414-Y444 HydrophobicContact CB-CD1 3.71Å; I414-Y444 HydrophobicContact CB-CE1 4.42Å; I414-Y444 HydrophobicContact CG2-CD1 3.67Å; I414-Y444 HydrophobicContact CG2-CG 4.32Å
415F94.7Very high95.2Very high14 Ų1432.9 Ų32.96%0.06116%0.162CC..EExtended strand (participates in β ladder)trans-128.2142.4-173.9-59.5-93.7000112.3I202 S207 H413 L417 G442 C443I202-F415 HydrophobicContact CB-CD1 4.46Å; I202-F415 HydrophobicContact CB-CE1 4.28Å; I202-F415 HydrophobicContact CD1-CD2 4.44Å; I202-F415 HydrophobicContact CD1-CE1 4.07Å; I202-F415 HydrophobicContact CD1-CE2 3.76Å; I202-F415 HydrophobicContact CD1-CZ 3.52Å; I202-F415 HydrophobicContact CG2-CD1 4.05Å; I202-F415 HydrophobicContact CG2-CE1 4.32Å; I202-F415 HydrophobicContact CG2-CG 4.14Å; S207-F415 WeakPolarHBondContact OG-CD1 3.33Å; S207-F415 VanDerWaalsContact OG-CE1 3.31Å; S207-F415 WeakPolarHBondContact OG-CE1 3.49Å; H413-F415 HydrophobicContact CB-CD2 4.46Å; H413-F415 HydrophobicContact CB-CE2 3.66Å; H413-F415 HydrophobicContact CB-CZ 4.15Å; H413-F415 AromaticContact CD2-CE1 3.78Å; H413-F415 AromaticContact CD2-CE2 3.5Å; H413-F415 AromaticContact CD2-CZ 3.35Å; H413-F415 WeakPolarHBondContact CD2-CZ 3.12Å; H413-F415 AromaticContact CE1-CE1 3.59Å; H413-F415 AromaticContact CE1-CE2 3.99Å; H413-F415 AromaticContact CE1-CZ 3.15Å; H413-F415 WeakPolarHBondContact CE1-CZ 3.41Å; H413-F415 AromaticContact CG-CE2 3.24Å; H413-F415 AromaticContact CG-CZ 3.24Å; H413-F415 AromaticContact ND1-CE1 3.99Å; H413-F415 AromaticContact ND1-CE2 3.55Å; H413-F415 AromaticContact ND1-CZ 3.09Å; H413-F415 WeakPolarHBondContact ND1-CZ 3.37Å; H413-F415 AromaticContact NE2-CE1 3.43Å; H413-F415 WeakPolarHBondContact NE2-CE1 3.43Å; H413-F415 AromaticContact NE2-CE2 3.96Å; H413-F415 AromaticContact NE2-CZ 3.3Å; H413-F415 VanDerWaalsContact NE2-CZ 3.3Å; H413-F415 WeakPolarHBondContact NE2-CZ 3.42Å; F415-L417 HydrophobicContact CB-CD2 4.2Å; F415-G442 VanDerWaalsContact O-CA 3.3Å; F415-G442 WeakPolarHBondContact O-CA 3.08Å; F415-C443 PolarHBondContact N-O 2.82Å; F415-C443 PolarHBondContact O-N 2.84Å
416Q95.1Very high95.3Very high3 Ų338.2 Ų38.21%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-94.195.1162.6-65.6-171.313.700109.7L170 Y174 G204 S205 A206 G418L170-Q416 HydrophobicContact CD2-CB 3.9Å; L170-Q416 HydrophobicContact CD2-CG 4.07Å; L170-Q416 HydrophobicContact CG-CG 4.18Å; Y174-Q416 HydrophobicContact CD2-CG 3.45Å; Y174-Q416 VanDerWaalsContact CD2-CG 3.45Å; Y174-Q416 HydrophobicContact CE2-CG 3.77Å; Y174-Q416 HydrophobicContact CG-CG 4.02Å; G204-Q416 WeakPolarHBondContact CA-O 3.45Å; S205-Q416 PolarHBondContact N-O 2.91Å; S205-Q416 PolarHBondContact OG-OE1 3.32Å; A206-Q416 HydrophobicContact CB-CG 4.32Å; A206-Q416 PolarHBondContact O-N 2.9Å; Q416-G418 VanDerWaalsContact C-N 3.27Å; Q416-G418 PolarHBondContact O-N 2.91Å
417L93.6Very high95.5Very high5 Ų533.4 Ų33.43%0.02616%0.162CC..EExtended strand (participates in β ladder)trans-70.3-19.8-173.5-66.3179.9000114.3E111 I202 F415 Y421 M441 C443E111-L417 HydrophobicContact CG-CD1 4.16Å; I202-L417 HydrophobicContact CG2-CD2 3.17Å; F415-L417 HydrophobicContact CB-CD2 4.2Å; L417-Y421 HydrophobicContact CD1-CD2 3.93Å; L417-Y421 HydrophobicContact CD1-CE2 3.94Å; L417-Y421 HydrophobicContact CD2-CE2 4.16Å; L417-M441 WeakPolarHBondContact CA-O 3.41Å; L417-M441 HydrophobicContact CB-CB 4.09Å; L417-M441 WeakPolarHBondContact CB-O 3.23Å; L417-M441 HydrophobicContact CD1-CB 4.3Å; L417-M441 HydrophobicContact CD1-CE 4.39Å; L417-M441 PolarHBondContact N-O 3.12Å; L417-C443 HydrophobicContact CD1-CB 3.63Å; L417-C443 HydrophobicContact CG-CB 4.13Å
418G94.1Very high95.6Very high19 Ų1928.4 Ų28.420%0.19615%0.147CC..EExtended strand (participates in β ladder)trans65.7-134.8-173.700000111Q416 T440 M441Q416-G418 VanDerWaalsContact C-N 3.27Å; Q416-G418 PolarHBondContact O-N 2.91Å; G418-T440 CarbonylContact O-C 3.55Å; G418-T440 WeakPolarHBondContact O-CA 3.26Å; G418-M441 PolarHBondContact N-O 3.17Å; G418-M441 PolarHBondContact O-N 3.05Å
419T95Very high95.8Very high46 Ų4628.5 Ų28.528%0.28215%0.148SC..THydrogen-bonded Turntrans-106.38.8-173.856.70000114.1Y421 S422 E423 I438T419-Y421 PolarHBondContact O-N 3.35Å; T419-S422 VanDerWaalsContact CA-OG 3.3Å; T419-S422 WeakPolarHBondContact CA-OG 3.31Å; T419-S422 PolarHBondContact O-N 2.68Å; T419-S422 PolarHBondContact O-OG 3.05Å; T419-E423 VanDerWaalsContact CB-OE1 3.29Å; T419-E423 WeakPolarHBondContact CB-OE1 3.47Å; T419-E423 VanDerWaalsContact O-CB 3.32Å; T419-E423 WeakPolarHBondContact O-CB 3.35Å; T419-E423 VanDerWaalsContact O-CG 3.32Å; T419-E423 WeakPolarHBondContact O-CG 3.29Å; T419-E423 PolarHBondContact O-N 2.82Å; T419-E423 VanDerWaalsContact OG1-CD 3.28Å; T419-E423 PolarHBondContact OG1-OE1 2.87Å; T419-I438 HydrophobicContact CG2-CG2 4Å
420K92.5Very high95.9Very high76 Ų7633.2 Ų33.233%0.3317%0.17SC..Hα-helixtrans-51.5-52.9-172.5176.9176177.5170.30113.8S201 I202 A424S201-K420 PolarHBondContact O-NZ 3.46Å; I202-K420 VanDerWaalsContact O-CD 3.26Å; I202-K420 WeakPolarHBondContact O-CD 3.22Å; I202-K420 PolarHBondContact O-NZ 3.15Å; K420-A424 PolarHBondContact O-N 2.91Å
421Y95.1Very high95.8Very high3 Ų330.9 Ų30.91%0.01216%0.159CC..Hα-helixtrans-80.9-39.3-176.9-67-85.8000112.2R85 E111 L417 T419 E423 A424 L425R85-Y421 WeakPolarHBondContact CD-OH 3.49Å; R85-Y421 VanDerWaalsContact CZ-OH 3.27Å; R85-Y421 PolarHBondContact NH1-OH 2.7Å; E111-Y421 HydrophobicContact CB-CD1 3.66Å; E111-Y421 HydrophobicContact CB-CD2 4.09Å; E111-Y421 HydrophobicContact CB-CE1 3.42Å; E111-Y421 VanDerWaalsContact CB-CE1 3.42Å; E111-Y421 HydrophobicContact CB-CE2 3.89Å; E111-Y421 HydrophobicContact CB-CG 3.97Å; E111-Y421 HydrophobicContact CG-CD2 4.28Å; E111-Y421 HydrophobicContact CG-CE1 4.04Å; E111-Y421 HydrophobicContact CG-CE2 3.74Å; L417-Y421 HydrophobicContact CD1-CD2 3.93Å; L417-Y421 HydrophobicContact CD1-CE2 3.94Å; L417-Y421 HydrophobicContact CD2-CE2 4.16Å; T419-Y421 PolarHBondContact O-N 3.35Å; Y421-E423 VanDerWaalsContact C-N 3.33Å; Y421-E423 PolarHBondContact O-N 3Å; Y421-A424 PolarHBondContact O-N 2.84Å; Y421-L425 WeakPolarHBondContact O-CD1 3.12Å; Y421-L425 PolarHBondContact O-N 2.84Å
422S96.5Very high95.6Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-66.4-33.5-179.556.80000112.7T419 K426 A427 I438 L439T419-S422 VanDerWaalsContact CA-OG 3.3Å; T419-S422 WeakPolarHBondContact CA-OG 3.31Å; T419-S422 PolarHBondContact O-N 2.68Å; T419-S422 PolarHBondContact O-OG 3.05Å; S422-K426 CarbonylContact O-C 3.45Å; S422-K426 WeakPolarHBondContact O-CA 3.3Å; S422-K426 PolarHBondContact O-N 2.83Å; S422-A427 PolarHBondContact O-N 2.75Å; S422-I438 WeakPolarHBondContact OG-CG2 3.2Å; S422-L439 WeakPolarHBondContact CB-O 3.21Å; S422-L439 PolarHBondContact OG-O 3.48Å
423E96.4Very high95.3Very high113 Ų11343.1 Ų43.153%0.52822%0.22SC..Hα-helixtrans-67.7-50.3171.4-74.7175.3-170.700111.3T419 Y421 L425 K426 I438T419-E423 VanDerWaalsContact CB-OE1 3.29Å; T419-E423 WeakPolarHBondContact CB-OE1 3.47Å; T419-E423 VanDerWaalsContact O-CB 3.32Å; T419-E423 WeakPolarHBondContact O-CB 3.35Å; T419-E423 VanDerWaalsContact O-CG 3.32Å; T419-E423 WeakPolarHBondContact O-CG 3.29Å; T419-E423 PolarHBondContact O-N 2.82Å; T419-E423 VanDerWaalsContact OG1-CD 3.28Å; T419-E423 PolarHBondContact OG1-OE1 2.87Å; Y421-E423 VanDerWaalsContact C-N 3.33Å; Y421-E423 PolarHBondContact O-N 3Å; E423-L425 PolarHBondContact O-N 2.98Å; E423-K426 PolarHBondContact O-N 2.76Å; E423-I438 HydrophobicContact CG-CG2 3.87Å
424A95.9Very high95.1Very high40 Ų4044 Ų4433%0.33124%0.235SC..Hα-helixtrans-60.6-46.1-177.600000112.4K420 Y421K420-A424 PolarHBondContact O-N 2.91Å; Y421-A424 PolarHBondContact O-N 2.84Å
425L97.2Very high95Very high1 Ų152.7 Ų52.71%0.00527%0.268CS..THydrogen-bonded Turntrans-92.22.9179.9-75.984.4000113.6L79 E82 E112 T115 D116 R119 Y421 E423 A427L79-L425 HydrophobicContact CD2-CD2 4.26Å; E82-L425 HydrophobicContact CB-CD1 4.37Å; E82-L425 HydrophobicContact CB-CG 4.11Å; E112-L425 HydrophobicContact CB-CD2 4.44Å; T115-L425 HydrophobicContact CG2-CB 3.75Å; T115-L425 HydrophobicContact CG2-CD2 4.16Å; T115-L425 HydrophobicContact CG2-CG 4.39Å; D116-L425 HydrophobicContact CB-CD2 4.48Å; R119-L425 WeakPolarHBondContact CD-O 3.42Å; R119-L425 PolarHBondContact NH1-O 2.77Å; Y421-L425 WeakPolarHBondContact O-CD1 3.12Å; Y421-L425 PolarHBondContact O-N 2.84Å; E423-L425 PolarHBondContact O-N 2.98Å; L425-A427 VanDerWaalsContact C-N 3.29Å; L425-A427 PolarHBondContact O-N 3.17Å
426K96.6Very high95Very high164 Ų16457.7 Ų57.771%0.71330%0.295SS*.THydrogen-bonded Turntrans57.934.3180-53.6173.9-174.8170.20114.2S422 E423 S428S422-K426 CarbonylContact O-C 3.45Å; S422-K426 WeakPolarHBondContact O-CA 3.3Å; S422-K426 PolarHBondContact O-N 2.83Å; E423-K426 PolarHBondContact O-N 2.76Å; K426-S428 PolarHBondContact O-N 3.34Å; K426-S428 VanDerWaalsContact O-N 3.14Å; K426-S428 PolarHBondContact O-OG 2.77Å
427A97.2Very high95Very high0 Ų060.4 Ų60.40%031%0.308CS..  trans-72.1105.6173.900000110.3T115 R119 S422 L425 L439T115-A427 HydrophobicContact CG2-CB 3.59Å; R119-A427 HydrophobicContact CB-CB 3.89Å; S422-A427 PolarHBondContact O-N 2.75Å; L425-A427 VanDerWaalsContact C-N 3.29Å; L425-A427 PolarHBondContact O-N 3.17Å; A427-L439 PolarHBondContact O-N 3.48Å
428S97Very high95.2Very high25 Ų2562.8 Ų62.818%0.17532%0.32CS..EExtended strand (participates in β ladder)trans-142.4157-175.8480000111.6K426 N436 Q437K426-S428 PolarHBondContact O-N 3.34Å; K426-S428 VanDerWaalsContact O-N 3.14Å; K426-S428 PolarHBondContact O-OG 2.77Å; S428-N436 VanDerWaalsContact CB-ND2 3.34Å; S428-N436 WeakPolarHBondContact CB-ND2 3.39Å; S428-N436 VanDerWaalsContact CB-OD1 3.3Å; S428-N436 WeakPolarHBondContact CB-OD1 3.45Å; S428-N436 PolarHBondContact OG-ND2 3.25Å; S428-N436 PolarHBondContact OG-OD1 3.42Å; S428-Q437 CarbonylContact C-O 3.56Å; S428-Q437 WeakPolarHBondContact CA-O 3.11Å; S428-Q437 VanDerWaalsContact CB-O 3.23Å; S428-Q437 WeakPolarHBondContact CB-O 3.31Å
429V97.3Very high95.3Very high2 Ų261.9 Ų61.91%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-129.7161.5175.8-63.80000110.1L122 L128 G431 Q437 L439L122-V429 HydrophobicContact CB-CG1 3.95Å; L128-V429 HydrophobicContact CD1-CG1 4.29Å; L128-V429 HydrophobicContact CD1-CG2 4.01Å; V429-G431 PolarHBondContact O-N 2.66Å; V429-Q437 PolarHBondContact N-O 3.49Å; V429-Q437 PolarHBondContact O-N 3.48Å; V429-L439 HydrophobicContact CB-CD2 4.37Å; V429-L439 HydrophobicContact CG1-CD1 4.4Å; V429-L439 HydrophobicContact CG1-CD2 3.96Å; V429-L439 HydrophobicContact CG2-CD2 3.65Å
430Q97Very high95.4Very high110 Ų11060.7 Ų60.751%0.51430%0.303SS..EExtended strand (participates in β ladder)trans-69.1116.8165.9-170.2172.341.200109.7S123 Y125 G434S123-Q430 WeakPolarHBondContact O-CB 3.12Å; S123-Q430 PolarHBondContact O-N 3.45Å; Y125-Q430 WeakPolarHBondContact CD1-O 3.26Å; Y125-Q430 PolarHBondContact N-O 3.08Å; Q430-G434 PolarHBondContact NE2-O 2.91Å
431G94.1Very high95.7Very high3 Ų357 Ų573%0.03129%0.287CS..  trans-71.7174.617500000113.2V429 D433 G434 R435V429-G431 PolarHBondContact O-N 2.66Å; G431-D433 PolarHBondContact O-N 3.12Å; G431-G434 PolarHBondContact O-N 2.74Å; G431-R435 PolarHBondContact N-O 3.01Å
432E91.5Very high95.8Very high157 Ų15756.9 Ų56.973%0.73429%0.287SS*.THydrogen-bonded Turntrans-59-32.4177.5-88.6-170.5163.300113.6Y125 G434Y125-E432 HydrophobicContact CD1-CG 4.03Å; Y125-E432 HydrophobicContact CD2-CG 3.61Å; Y125-E432 HydrophobicContact CE1-CB 4.35Å; Y125-E432 HydrophobicContact CE1-CG 3.66Å; Y125-E432 HydrophobicContact CE2-CG 3.17Å; Y125-E432 WeakPolarHBondContact CE2-OE1 3.33Å; Y125-E432 HydrophobicContact CG-CG 4.01Å; E432-G434 PolarHBondContact O-N 2.95Å
433D92.6Very high95.8Very high103 Ų10357.2 Ų57.255%0.55129%0.289SS*.THydrogen-bonded Turntrans-81.23.1177.569.5-11.5000113.2G431 R435G431-D433 PolarHBondContact O-N 3.12Å; D433-R435 PolarHBondContact O-N 2.82Å; D433-R435 VanDerWaalsContact OD1-CB 3.3Å; D433-R435 WeakPolarHBondContact OD1-CB 3.26Å; D433-R435 PolarHBondContact OD1-N 2.89Å; D433-R435 WeakPolarHBondContact OD2-CD 3.36Å; D433-R435 WeakPolarHBondContact OD2-CG 3.43Å; D433-R435 IonicContact OD2-NE 2.73Å
434G90.9Very high95.9Very high41 Ų4152 Ų5242%0.42326%0.264SS..SBendtrans77.90.7-177.600000114.4Q430 G431 E432Q430-G434 PolarHBondContact NE2-O 2.91Å; G431-G434 PolarHBondContact O-N 2.74Å; E432-G434 PolarHBondContact O-N 2.95Å
435R93.7Very high96Very high182 Ų18250.8 Ų50.869%0.68726%0.256SS*.SBendtrans-85.2158.2178.6-61.1-174.4-177.6164-1.9111.3G431 D433 Q437G431-R435 PolarHBondContact N-O 3.01Å; D433-R435 PolarHBondContact O-N 2.82Å; D433-R435 VanDerWaalsContact OD1-CB 3.3Å; D433-R435 WeakPolarHBondContact OD1-CB 3.26Å; D433-R435 PolarHBondContact OD1-N 2.89Å; D433-R435 WeakPolarHBondContact OD2-CD 3.36Å; D433-R435 WeakPolarHBondContact OD2-CG 3.43Å; D433-R435 IonicContact OD2-NE 2.73Å; R435-Q437 PolarHBondContact O-N 3.17Å
436N94.7Very high96.1Very high119 Ų11950.8 Ų50.864%0.63626%0.256SS*.EExtended strand (participates in β ladder)trans-72.3124.5172.6-160.640.6000109.5S428S428-N436 VanDerWaalsContact CB-ND2 3.34Å; S428-N436 WeakPolarHBondContact CB-ND2 3.39Å; S428-N436 VanDerWaalsContact CB-OD1 3.3Å; S428-N436 WeakPolarHBondContact CB-OD1 3.45Å; S428-N436 PolarHBondContact OG-ND2 3.25Å; S428-N436 PolarHBondContact OG-OD1 3.42Å
437Q96.2Very high96.1Very high60 Ų6043.4 Ų43.428%0.2823%0.227SC..EExtended strand (participates in β ladder)trans-120.7121.2-175.4-177.9174.46.900109.7T165 S428 V429 R435T165-Q437 PolarHBondContact O-NE2 2.86Å; S428-Q437 CarbonylContact C-O 3.56Å; S428-Q437 WeakPolarHBondContact CA-O 3.11Å; S428-Q437 VanDerWaalsContact CB-O 3.23Å; S428-Q437 WeakPolarHBondContact CB-O 3.31Å; V429-Q437 PolarHBondContact N-O 3.49Å; V429-Q437 PolarHBondContact O-N 3.48Å; R435-Q437 PolarHBondContact O-N 3.17Å
438I97Very high96.2Very high54 Ų5443.4 Ų43.428%0.27723%0.227SC..EExtended strand (participates in β ladder)trans-68.6136.1172.5-66.1-72.6000109.3T419 S422 E423T419-I438 HydrophobicContact CG2-CG2 4Å; S422-I438 WeakPolarHBondContact OG-CG2 3.2Å; E423-I438 HydrophobicContact CG-CG2 3.87Å
439L97.6Very high96.3Very high1 Ų142.4 Ų42.41%0.00522%0.219CC..PPolyproline II helixtrans-74.2142-179.1-58.1-179.6000111.2I118 L128 F163 S422 A427 V429I118-L439 HydrophobicContact CG2-CD1 3.48Å; I118-L439 VanDerWaalsContact CG2-CD1 3.48Å; L128-L439 HydrophobicContact CD1-CD2 3.39Å; F163-L439 HydrophobicContact CB-CD1 4.32Å; F163-L439 HydrophobicContact CD1-CD1 4Å; S422-L439 WeakPolarHBondContact CB-O 3.21Å; S422-L439 PolarHBondContact OG-O 3.48Å; A427-L439 PolarHBondContact O-N 3.48Å; V429-L439 HydrophobicContact CB-CD2 4.37Å; V429-L439 HydrophobicContact CG1-CD1 4.4Å; V429-L439 HydrophobicContact CG1-CD2 3.96Å; V429-L439 HydrophobicContact CG2-CD2 3.65Å
440T96.9Very high96.3Very high20 Ų2045 Ų4512%0.12323%0.229CC..EExtended strand (participates in β ladder)trans-91.9138165.5-50.80000108.3H164 L170 G418H164-T440 PolarHBondContact N-O 3.23Å; H164-T440 PolarHBondContact O-N 2.77Å; L170-T440 HydrophobicContact CB-CG2 4.46Å; L170-T440 HydrophobicContact CD2-CG2 3.55Å; G418-T440 CarbonylContact O-C 3.55Å; G418-T440 WeakPolarHBondContact O-CA 3.26Å
441M97.8Very high96.3Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-119.1150.4-173-65.6177.95800112.9T115 S162 F163 L170 L417 G418T115-M441 HydrophobicContact CG2-SD 4.49Å; T115-M441 VanDerWaalsContact OG1-CE 3.31Å; T115-M441 WeakPolarHBondContact OG1-CE 3.07Å; S162-M441 CarbonylContact O-C 3.57Å; S162-M441 VanDerWaalsContact O-CA 3.22Å; S162-M441 WeakPolarHBondContact O-CA 3.46Å; F163-M441 HydrophobicContact CD1-CE 4.43Å; F163-M441 HydrophobicContact CD1-CG 3.79Å; F163-M441 HydrophobicContact CD1-SD 4.22Å; F163-M441 HydrophobicContact CE1-CE 3.54Å; F163-M441 HydrophobicContact CE1-CG 3.83Å; F163-M441 HydrophobicContact CE1-SD 3.69Å; F163-M441 HydrophobicContact CZ-CE 3.8Å; L170-M441 WeakPolarHBondContact CD2-O 3.17Å; L417-M441 WeakPolarHBondContact CA-O 3.41Å; L417-M441 HydrophobicContact CB-CB 4.09Å; L417-M441 WeakPolarHBondContact CB-O 3.23Å; L417-M441 HydrophobicContact CD1-CB 4.3Å; L417-M441 HydrophobicContact CD1-CE 4.39Å; L417-M441 PolarHBondContact N-O 3.12Å; G418-M441 PolarHBondContact N-O 3.17Å; G418-M441 PolarHBondContact O-N 3.05Å
442G97.7Very high96.5Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-122.5153.2162.400000110.4Y161 S162 F415Y161-G442 VanDerWaalsContact CA-O 3.29Å; Y161-G442 WeakPolarHBondContact CA-O 3.06Å; S162-G442 PolarHBondContact N-O 3.08Å; S162-G442 PolarHBondContact O-N 2.67Å; F415-G442 VanDerWaalsContact O-CA 3.3Å; F415-G442 WeakPolarHBondContact O-CA 3.08Å
443C97.4Very high96.8Very high6 Ų632.1 Ų32.14%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-135.2148.9170.275.80000112.6A160 Y161 F415 L417A160-C443 CarbonylContact O-C 3.25Å; A160-C443 WeakPolarHBondContact O-CA 3.42Å; Y161-C443 HydrophobicContact CD1-CB 3.66Å; Y161-C443 HydrophobicContact CE1-CB 3.94Å; F415-C443 PolarHBondContact N-O 2.82Å; F415-C443 PolarHBondContact O-N 2.84Å; L417-C443 HydrophobicContact CD1-CB 3.63Å; L417-C443 HydrophobicContact CG-CB 4.13Å
444Y97.8Very high97.1Very high3 Ų327.2 Ų27.21%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-144.7107.9-166.1-36.5-82.1000110.8K158 D159 A160 S162 Y174 M177 Y181 H413 I414K158-Y444 PolarHBondContact NZ-O 3.27Å; D159-Y444 CarbonylContact C-O 3.43Å; D159-Y444 WeakPolarHBondContact CA-O 3.4Å; A160-Y444 HydrophobicContact CB-CD2 3.88Å; A160-Y444 HydrophobicContact CB-CG 4.49Å; A160-Y444 PolarHBondContact N-O 3.45Å; A160-Y444 PolarHBondContact O-N 2.72Å; S162-Y444 WeakPolarHBondContact OG-CE2 3.5Å; S162-Y444 PolarHBondContact OG-OH 3.43Å; Y174-Y444 AromaticContact CD2-CE1 3.99Å; Y174-Y444 HydrophobicContact CD2-CE1 3.99Å; M177-Y444 HydrophobicContact CB-CD1 3.74Å; M177-Y444 HydrophobicContact CB-CE1 3.86Å; M177-Y444 HydrophobicContact CB-CG 4.19Å; M177-Y444 HydrophobicContact CG-CD1 3.69Å; M177-Y444 HydrophobicContact CG-CD2 3.81Å; M177-Y444 HydrophobicContact CG-CE1 3.71Å; M177-Y444 HydrophobicContact CG-CE2 3.82Å; M177-Y444 HydrophobicContact CG-CG 3.75Å; Y181-Y444 WeakPolarHBondContact OH-CA 3.45Å; Y181-Y444 WeakPolarHBondContact OH-CB 3.38Å; Y181-Y444 PolarHBondContact OH-O 3.16Å; H413-Y444 CarbonylContact O-C 3.54Å; H413-Y444 WeakPolarHBondContact O-CA 3.4Å; I414-Y444 HydrophobicContact CB-CD1 3.71Å; I414-Y444 HydrophobicContact CB-CE1 4.42Å; I414-Y444 HydrophobicContact CG2-CD1 3.67Å; I414-Y444 HydrophobicContact CG2-CG 4.32Å
445G98Very high97.4Very high16 Ų1625.2 Ų25.217%0.16512%0.122CC..EExtended strand (participates in β ladder)trans-105.3142.1-176.900000114.1K158 Y181 G412 H413K158-G445 CarbonylContact O-C 3.59Å; K158-G445 WeakPolarHBondContact O-CA 3.18Å; Y181-G445 VanDerWaalsContact CE2-O 3.31Å; Y181-G445 WeakPolarHBondContact CE2-O 3.43Å; Y181-G445 PolarHBondContact OH-N 3.38Å; Y181-G445 PolarHBondContact OH-O 3.34Å; G412-G445 CarbonylContact C-O 3.46Å; G412-G445 WeakPolarHBondContact CA-O 3.27Å; H413-G445 PolarHBondContact N-O 2.89Å; H413-G445 PolarHBondContact O-N 3.34Å
446I98.7Very high97.6Very high0 Ų016.6 Ų16.60%09%0.089CC..EExtended strand (participates in β ladder)trans-133.8124.6165.3-70.1175.7000107.1M157 K158 Y181 I184 F185 V411 V448 V451M157-I446 WeakPolarHBondContact CA-O 3.39Å; M157-I446 WeakPolarHBondContact CG-O 3.25Å; K158-I446 HydrophobicContact CB-CB 4.3Å; K158-I446 PolarHBondContact N-O 2.85Å; K158-I446 PolarHBondContact O-N 3.42Å; Y181-I446 HydrophobicContact CD1-CD1 3.94Å; Y181-I446 HydrophobicContact CD2-CD1 4.01Å; Y181-I446 HydrophobicContact CD2-CG1 3.94Å; Y181-I446 HydrophobicContact CE1-CD1 3.8Å; Y181-I446 HydrophobicContact CE1-CG1 4.16Å; Y181-I446 HydrophobicContact CE2-CD1 3.9Å; Y181-I446 HydrophobicContact CE2-CG1 3.47Å; Y181-I446 VanDerWaalsContact CE2-CG1 3.47Å; Y181-I446 HydrophobicContact CG-CD1 4.05Å; Y181-I446 HydrophobicContact CG-CG1 4.48Å; I184-I446 HydrophobicContact CD1-CD1 3.78Å; I184-I446 HydrophobicContact CG2-CD1 4.33Å; F185-I446 HydrophobicContact CE1-CG2 4.43Å; F185-I446 HydrophobicContact CZ-CD1 4.03Å; F185-I446 HydrophobicContact CZ-CG1 4.09Å; F185-I446 HydrophobicContact CZ-CG2 4.38Å; V411-I446 CarbonylContact O-C 3.52Å; V411-I446 VanDerWaalsContact O-CA 3.3Å; V411-I446 WeakPolarHBondContact O-CA 3.45Å; V411-I446 WeakPolarHBondContact O-CG2 3.05Å; I446-V448 VanDerWaalsContact C-N 3.35Å; I446-V448 HydrophobicContact CG2-CG2 4.35Å; I446-V448 PolarHBondContact O-N 3.26Å; I446-V451 HydrophobicContact CG2-CG2 3.89Å
447G98.1Very high97.8Very high9 Ų911.8 Ų11.89%0.0936%0.063CC..  trans-74.983172.900000110.8V411 T449 R450 V451V411-G447 PolarHBondContact O-N 2.73Å; G447-T449 VanDerWaalsContact C-N 3.28Å; G447-T449 PolarHBondContact O-N 3.3Å; G447-R450 CarbonylContact O-C 3.6Å; G447-R450 WeakPolarHBondContact O-CA 3.29Å; G447-R450 WeakPolarHBondContact O-CB 3.46Å; G447-R450 PolarHBondContact O-N 3.21Å; G447-V451 WeakPolarHBondContact O-CG2 3.35Å; G447-V451 PolarHBondContact O-N 3.3Å
448V98.5Very high97.8Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-56.4-41-173.3177.60000112.4L50 V53 E54 L156 K158 I446L50-V448 HydrophobicContact CD1-CG1 3.86Å; V53-V448 HydrophobicContact CB-CG1 4.42Å; V53-V448 HydrophobicContact CG1-CG1 3.84Å; E54-V448 HydrophobicContact CG-CG1 3.85Å; L156-V448 HydrophobicContact CB-CB 4.31Å; L156-V448 HydrophobicContact CD2-CB 4.17Å; L156-V448 HydrophobicContact CD2-CG1 3.83Å; L156-V448 HydrophobicContact CG-CB 4.27Å; L156-V448 HydrophobicContact CG-CG1 4.46Å; L156-V448 PolarHBondContact O-N 3.49Å; K158-V448 HydrophobicContact CB-CG2 3.89Å; I446-V448 VanDerWaalsContact C-N 3.35Å; I446-V448 HydrophobicContact CG2-CG2 4.35Å; I446-V448 PolarHBondContact O-N 3.26Å
449T98Very high97.8Very high4 Ų410 Ų103%0.0255%0.054CC..Hα-helixtrans-68.4-41.7173.4440000112.8W42 L50 F155 L156 G447 V451 V452W42-T449 HydrophobicContact CH2-CG2 4.32Å; W42-T449 HydrophobicContact CZ2-CG2 3.45Å; W42-T449 VanDerWaalsContact CZ2-CG2 3.45Å; L50-T449 HydrophobicContact CD1-CG2 3.96Å; F155-T449 WeakPolarHBondContact CB-OG1 3.42Å; L156-T449 HydrophobicContact CB-CG2 3.67Å; L156-T449 PolarHBondContact N-OG1 2.83Å; L156-T449 PolarHBondContact O-N 3.43Å; L156-T449 PolarHBondContact O-OG1 3.49Å; G447-T449 VanDerWaalsContact C-N 3.28Å; G447-T449 PolarHBondContact O-N 3.3Å; T449-V451 VanDerWaalsContact C-N 3.33Å; T449-V451 PolarHBondContact O-N 2.85Å; T449-V452 WeakPolarHBondContact O-CB 3.26Å; T449-V452 PolarHBondContact O-N 3.09Å
450R97.4Very high97.7Very high56 Ų5615.2 Ų15.221%0.2118%0.075CC..Hα-helixtrans-62-39177.9-175.9-178.2-70.2177.7-4.6111.8M150 I409 E410 G447 V452 A453 A454M150-R450 HydrophobicContact CB-CG 4.39Å; M150-R450 HydrophobicContact CG-CG 4.35Å; M150-R450 PolarHBondContact O-NE 2.94Å; M150-R450 PolarHBondContact O-NH2 2.92Å; I409-R450 HydrophobicContact CG2-CG 4Å; E410-R450 WeakPolarHBondContact O-CD 3.42Å; E410-R450 PolarHBondContact O-NH1 2.69Å; E410-R450 IonicContact OE2-NH1 2.87Å; G447-R450 CarbonylContact O-C 3.6Å; G447-R450 WeakPolarHBondContact O-CA 3.29Å; G447-R450 WeakPolarHBondContact O-CB 3.46Å; G447-R450 PolarHBondContact O-N 3.21Å; R450-V452 VanDerWaalsContact C-N 3.26Å; R450-V452 PolarHBondContact O-N 2.82Å; R450-A453 PolarHBondContact O-N 3.25Å; R450-A454 PolarHBondContact O-N 3.28Å
451V98.3Very high97.7Very high0 Ų016.5 Ų16.50%08%0.081CC..Hα-helixtrans-54.7-40.5174.7168.90000111.9V53 F185 M188 L190 V411 I446 G447 T449 A453 A454 A455V53-V451 HydrophobicContact CG1-CB 4.18Å; V53-V451 HydrophobicContact CG1-CG1 3.79Å; V53-V451 HydrophobicContact CG2-CG1 4.37Å; F185-V451 HydrophobicContact CE1-CG2 3.94Å; M188-V451 HydrophobicContact SD-CG1 3.58Å; M188-V451 VanDerWaalsContact SD-CG1 3.58Å; L190-V451 HydrophobicContact CD1-CG1 4.25Å; V411-V451 HydrophobicContact CB-CG2 3.8Å; V411-V451 HydrophobicContact CG1-CG2 4.02Å; I446-V451 HydrophobicContact CG2-CG2 3.89Å; G447-V451 WeakPolarHBondContact O-CG2 3.35Å; G447-V451 PolarHBondContact O-N 3.3Å; T449-V451 VanDerWaalsContact C-N 3.33Å; T449-V451 PolarHBondContact O-N 2.85Å; V451-A453 VanDerWaalsContact C-N 3.33Å; V451-A453 PolarHBondContact O-N 3.35Å; V451-A454 PolarHBondContact O-N 3.29Å; V451-A455 WeakPolarHBondContact O-CB 3.46Å; V451-A455 PolarHBondContact O-N 3.48Å
452V98.5Very high97.5Very high0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-61.6-43.5177.8179.10000111.1M26 M31 W42 V49 L50 V53 T449 R450 I456 W467M26-V452 HydrophobicContact CE-CG1 3.98Å; M31-V452 HydrophobicContact CE-CG1 3.96Å; W42-V452 HydrophobicContact CH2-CB 4.04Å; W42-V452 HydrophobicContact CH2-CG1 4.11Å; W42-V452 HydrophobicContact CH2-CG2 4.08Å; W42-V452 HydrophobicContact CZ3-CB 4.47Å; W42-V452 HydrophobicContact CZ3-CG1 4.14Å; W42-V452 HydrophobicContact CZ3-CG2 4.35Å; V49-V452 HydrophobicContact CG1-CG1 3.79Å; V49-V452 HydrophobicContact CG1-CG2 4.17Å; L50-V452 HydrophobicContact CD1-CG2 4.14Å; V53-V452 HydrophobicContact CG2-CG2 3.97Å; T449-V452 WeakPolarHBondContact O-CB 3.26Å; T449-V452 PolarHBondContact O-N 3.09Å; R450-V452 VanDerWaalsContact C-N 3.26Å; R450-V452 PolarHBondContact O-N 2.82Å; V452-I456 WeakPolarHBondContact O-CG1 3.44Å; V452-I456 PolarHBondContact O-N 2.87Å; V452-W467 HydrophobicContact CG1-CH2 3.96Å; V452-W467 HydrophobicContact CG1-CZ3 4.49Å
453A97.9Very high97.4Very high0 Ų029.2 Ų29.20%014%0.135CC..Hα-helixtrans-70.2-43.3177.500000112S22 M26 V149 M150 R450 V451 A455 I456 E457S22-A453 WeakPolarHBondContact CB-O 3.23Å; M26-A453 HydrophobicContact SD-CB 4.07Å; V149-A453 HydrophobicContact CG2-CB 3.73Å; M150-A453 HydrophobicContact CG-CB 3.43Å; M150-A453 VanDerWaalsContact CG-CB 3.43Å; M150-A453 HydrophobicContact SD-CB 4.07Å; R450-A453 PolarHBondContact O-N 3.25Å; V451-A453 VanDerWaalsContact C-N 3.33Å; V451-A453 PolarHBondContact O-N 3.35Å; A453-A455 VanDerWaalsContact C-N 3.27Å; A453-A455 PolarHBondContact O-N 2.77Å; A453-I456 WeakPolarHBondContact O-CA 3.18Å; A453-I456 WeakPolarHBondContact O-CB 3.03Å; A453-I456 PolarHBondContact O-N 2.83Å; A453-E457 PolarHBondContact O-N 3.43Å
454A97.8Very high97.4Very high0 Ų029 Ų290%013%0.134CC..Hα-helixtrans-57-40.2175.900000112.1V212 I409 V411 R450 V451 I456 E457 Q458V212-A454 HydrophobicContact CB-CB 4.1Å; V212-A454 HydrophobicContact CG1-CB 3.95Å; V212-A454 HydrophobicContact CG2-CB 4.31Å; I409-A454 HydrophobicContact CB-CB 4.42Å; I409-A454 HydrophobicContact CD1-CB 4.11Å; I409-A454 HydrophobicContact CG2-CB 4.17Å; V411-A454 HydrophobicContact CG1-CB 3.69Å; R450-A454 PolarHBondContact O-N 3.28Å; V451-A454 PolarHBondContact O-N 3.29Å; A454-I456 VanDerWaalsContact C-N 3.28Å; A454-I456 PolarHBondContact O-N 2.87Å; A454-E457 PolarHBondContact O-N 2.75Å; A454-Q458 PolarHBondContact O-N 3.39Å
455A98.2Very high97.4Very high0 Ų028.8 Ų28.80%013%0.133CC..Hα-helixtrans-61.3-36.3174.400000112.8L190 V451 A453 N459 W467 I471L190-A455 HydrophobicContact CD2-CB 3.68Å; V451-A455 WeakPolarHBondContact O-CB 3.46Å; V451-A455 PolarHBondContact O-N 3.48Å; A453-A455 VanDerWaalsContact C-N 3.27Å; A453-A455 PolarHBondContact O-N 2.77Å; A455-N459 WeakPolarHBondContact O-CB 3.5Å; A455-N459 PolarHBondContact O-N 2.98Å; A455-N459 VanDerWaalsContact O-N 3.11Å; A455-N459 PolarHBondContact O-ND2 2.87Å; A455-W467 HydrophobicContact CB-CZ3 4.08Å; A455-I471 HydrophobicContact CB-CD1 3.61Å
456I98.2Very high97.4Very high0 Ų028.8 Ų28.80%013%0.13CC..Hα-helixtrans-73.8-40.4176.3-60.5167.5000110.9L25 M26 M31 V452 A453 A454 Q458 N459 Y460 I465 W467L25-I456 HydrophobicContact CB-CG2 4.12Å; L25-I456 HydrophobicContact CD1-CG2 3.73Å; M26-I456 HydrophobicContact CG-CD1 3.29Å; M26-I456 HydrophobicContact SD-CD1 3.99Å; M31-I456 HydrophobicContact SD-CD1 4.25Å; V452-I456 WeakPolarHBondContact O-CG1 3.44Å; V452-I456 PolarHBondContact O-N 2.87Å; A453-I456 WeakPolarHBondContact O-CA 3.18Å; A453-I456 WeakPolarHBondContact O-CB 3.03Å; A453-I456 PolarHBondContact O-N 2.83Å; A454-I456 VanDerWaalsContact C-N 3.28Å; A454-I456 PolarHBondContact O-N 2.87Å; I456-Q458 PolarHBondContact O-N 3.21Å; I456-N459 CarbonylContact O-C 3.3Å; I456-N459 PolarHBondContact O-N 3.17Å; I456-Y460 VanDerWaalsContact O-CD1 3.31Å; I456-Y460 WeakPolarHBondContact O-CD1 3.49Å; I456-I465 HydrophobicContact CD1-CD1 3.97Å; I456-I465 HydrophobicContact CD1-CG1 4.49Å; I456-I465 HydrophobicContact CG1-CD1 4.35Å; I456-I465 HydrophobicContact CG1-CG1 4.45Å; I456-I465 HydrophobicContact CG1-CG2 3.97Å; I456-I465 HydrophobicContact CG2-CG1 4.21Å; I456-I465 HydrophobicContact CG2-CG2 4.46Å; I456-W467 HydrophobicContact CD1-CH2 3.55Å; I456-W467 HydrophobicContact CD1-CZ2 4.08Å; I456-W467 HydrophobicContact CD1-CZ3 4.33Å; I456-W467 HydrophobicContact CG1-CH2 3.35Å; I456-W467 HydrophobicContact CG1-CZ2 4.05Å; I456-W467 HydrophobicContact CG1-CZ3 3.66Å
457E97.3Very high97.4Very high18 Ų1829 Ų298%0.08413%0.131CC..Hα-helixtrans-56.9-33.1176.7-72.3-63.4146.700112.3I21 S22 M150 A214 S216 I409 A453 A454 Y460I21-E457 WeakPolarHBondContact CG2-OE1 3.42Å; I21-E457 VanDerWaalsContact CG2-OE2 3.25Å; I21-E457 WeakPolarHBondContact CG2-OE2 3.29Å; I21-E457 PolarHBondContact N-OE1 3.38Å; S22-E457 WeakPolarHBondContact CA-OE1 3.38Å; S22-E457 WeakPolarHBondContact CB-OE1 3.3Å; S22-E457 PolarHBondContact N-OE1 3.38Å; S22-E457 PolarHBondContact OG-OE1 3.12Å; M150-E457 HydrophobicContact CE-CG 4.24Å; M150-E457 HydrophobicContact SD-CG 4.18Å; A214-E457 HydrophobicContact CB-CB 3.96Å; S216-E457 WeakPolarHBondContact CB-OE2 3.48Å; S216-E457 WeakPolarHBondContact OG-CG 3.47Å; S216-E457 PolarHBondContact OG-OE2 3.46Å; I409-E457 HydrophobicContact CD1-CB 3.95Å; I409-E457 HydrophobicContact CD1-CG 3.84Å; A453-E457 PolarHBondContact O-N 3.43Å; A454-E457 PolarHBondContact O-N 2.75Å; E457-Y460 WeakPolarHBondContact O-CE1 3.47Å
458Q95.9Very high97.3Very high45 Ų4528.7 Ų28.721%0.2113%0.127CC..Hα-helixtrans-83.2-30.8173.9-74.3-165.1-30.300114.4D191 V212 L213 A454 I456D191-Q458 PolarHBondContact O-NE2 3.36Å; V212-Q458 HydrophobicContact CG1-CG 3.72Å; V212-Q458 VanDerWaalsContact CG1-NE2 3.3Å; L213-Q458 WeakPolarHBondContact O-CG 3.43Å; L213-Q458 PolarHBondContact O-NE2 3.12Å; A454-Q458 PolarHBondContact O-N 3.39Å; I456-Q458 PolarHBondContact O-N 3.21Å
459N97Very high97.1Very high32 Ų3232 Ų3217%0.17114%0.144CC..SBendtrans-129.682.4-165.6-50-88.1000112.2A455 I456 V466A455-N459 WeakPolarHBondContact O-CB 3.5Å; A455-N459 PolarHBondContact O-N 2.98Å; A455-N459 VanDerWaalsContact O-N 3.11Å; A455-N459 PolarHBondContact O-ND2 2.87Å; I456-N459 CarbonylContact O-C 3.3Å; I456-N459 PolarHBondContact O-N 3.17Å; N459-V466 HydrophobicContact CB-CB 4.41Å; N459-V466 WeakPolarHBondContact CB-O 3.36Å; N459-V466 PolarHBondContact O-N 3.32Å
460Y97Very high97.1Very high110 Ų11033.9 Ų33.943%0.43116%0.161SC..BIsolated β-bridgetrans-147.1165.8175.372.9-83.3000111.9I21 L25 I456 E457 G464I21-Y460 HydrophobicContact CB-CE2 4.49Å; I21-Y460 HydrophobicContact CD1-CD2 4.29Å; I21-Y460 HydrophobicContact CD1-CE2 4.29Å; I21-Y460 HydrophobicContact CG1-CD1 4.27Å; I21-Y460 HydrophobicContact CG1-CD2 3.66Å; I21-Y460 HydrophobicContact CG1-CE1 4.29Å; I21-Y460 HydrophobicContact CG1-CE2 3.68Å; I21-Y460 HydrophobicContact CG1-CG 3.96Å; I21-Y460 HydrophobicContact CG2-CD1 4.01Å; I21-Y460 HydrophobicContact CG2-CE1 3.66Å; I21-Y460 HydrophobicContact CG2-CE2 4.44Å; L25-Y460 HydrophobicContact CD1-CG 4.29Å; I456-Y460 VanDerWaalsContact O-CD1 3.31Å; I456-Y460 WeakPolarHBondContact O-CD1 3.49Å; E457-Y460 WeakPolarHBondContact O-CE1 3.47Å; Y460-G464 WeakPolarHBondContact CA-O 3.39Å
461D95.9Very high97.1Very high47 Ų4731.2 Ų31.225%0.25115%0.151SC..  trans-141.8-168.1167.968.216000111R463 G464 R549D461-R463 PolarHBondContact O-N 2.96Å; D461-R463 VanDerWaalsContact O-N 3.13Å; D461-R463 WeakPolarHBondContact OD1-CA 3.16Å; D461-R463 WeakPolarHBondContact OD1-CB 3.48Å; D461-R463 PolarHBondContact OD1-N 3.2Å; D461-G464 PolarHBondContact N-O 3.3Å; D461-G464 PolarHBondContact O-N 3.33Å; D461-G464 PolarHBondContact OD1-N 2.91Å; D461-G464 VanDerWaalsContact OD1-N 3.07Å; D461-R549 IonicContact OD1-CZ 3.67Å; D461-R549 IonicContact OD1-NH1 3.28Å; D461-R549 IonicContact OD1-NH2 2.92Å; D461-R549 PolarHBondContact OD1-NH2 3.2Å; D461-R549 IonicContact OD2-CZ 3.9Å; D461-R549 VanDerWaalsContact OD2-CZ 3.28Å; D461-R549 IonicContact OD2-NH1 3.85Å; D461-R549 PolarHBondContact OD2-NH1 3Å; D461-R549 IonicContact OD2-NH2 3.43Å; D461-R549 PolarHBondContact OD2-NH2 2.95Å
462E94.7Very high97.1Very high152 Ų15231.2 Ų31.271%0.7115%0.151SC*.SBendtrans-63.6-17.6-179.274.6-83169.100114.8
463R94.7Very high97.1Very high115 Ų11531.2 Ų31.243%0.43415%0.151SC..SBendtrans-98.9-24.1-175.7-51.6-171.9-170.8-164.4-3.6112.7D461 E524 L525D461-R463 PolarHBondContact O-N 2.96Å; D461-R463 VanDerWaalsContact O-N 3.13Å; D461-R463 WeakPolarHBondContact OD1-CA 3.16Å; D461-R463 WeakPolarHBondContact OD1-CB 3.48Å; D461-R463 PolarHBondContact OD1-N 3.2Å; R463-E524 HydrophobicContact CB-CB 4.2Å; R463-E524 WeakPolarHBondContact CD-OE2 3.4Å; R463-E524 IonicContact CZ-OE1 3.84Å; R463-E524 IonicContact NH1-OE1 3.99Å; R463-E524 PolarHBondContact NH1-OE1 3.48Å; R463-E524 IonicContact NH1-OE2 2.66Å; R463-L525 WeakPolarHBondContact O-CA 2.89Å
464G96.9Very high97.1Very high1 Ų131.4 Ų31.41%0.0115%0.152CC..SBendtrans149.2-142.7171.500000113.5Y460 D461Y460-G464 WeakPolarHBondContact CA-O 3.39Å; D461-G464 PolarHBondContact N-O 3.3Å; D461-G464 PolarHBondContact O-N 3.33Å; D461-G464 PolarHBondContact OD1-N 2.91Å; D461-G464 VanDerWaalsContact OD1-N 3.07Å
465I98.2Very high97.1Very high0 Ų033.6 Ų33.60%016%0.162CC..BIsolated β-bridgetrans-77.6142.8-171.5-51.3169.4000110.6L25 A29 M31 I456 W467 L525 G527 R549L25-I465 HydrophobicContact CB-CD1 4.31Å; L25-I465 HydrophobicContact CB-CG1 3.92Å; L25-I465 HydrophobicContact CD1-CG1 4.06Å; L25-I465 HydrophobicContact CG-CG1 4.49Å; A29-I465 HydrophobicContact CB-CD1 3.88Å; M31-I465 HydrophobicContact SD-CD1 3.67Å; I456-I465 HydrophobicContact CD1-CD1 3.97Å; I456-I465 HydrophobicContact CD1-CG1 4.49Å; I456-I465 HydrophobicContact CG1-CD1 4.35Å; I456-I465 HydrophobicContact CG1-CG1 4.45Å; I456-I465 HydrophobicContact CG1-CG2 3.97Å; I456-I465 HydrophobicContact CG2-CG1 4.21Å; I456-I465 HydrophobicContact CG2-CG2 4.46Å; I465-W467 HydrophobicContact CD1-CZ2 3.81Å; I465-W467 HydrophobicContact CG2-CD2 3.58Å; I465-W467 HydrophobicContact CG2-CE3 4.09Å; I465-W467 HydrophobicContact CG2-CG 3.97Å; I465-W467 HydrophobicContact CG2-CH2 4.2Å; I465-W467 HydrophobicContact CG2-CZ2 3.69Å; I465-W467 HydrophobicContact CG2-CZ3 4.37Å; I465-L525 PolarHBondContact N-O 2.9Å; I465-G527 WeakPolarHBondContact O-CA 3.22Å; I465-R549 PolarHBondContact O-NE 3.04Å
466V98Very high97.1Very high16 Ų1633.6 Ų33.610%0.09716%0.162CC..  trans-122.579.3174.4-1740000108.9N459 R550N459-V466 HydrophobicContact CB-CB 4.41Å; N459-V466 WeakPolarHBondContact CB-O 3.36Å; N459-V466 PolarHBondContact O-N 3.32Å; V466-R550 HydrophobicContact CG1-CB 4.06Å; V466-R550 HydrophobicContact CG1-CG 4.08Å
467W98Very high97.1Very high4 Ų433.6 Ų33.62%0.01516%0.162CC..  trans-59.4146.5-173.6-67.1111.6000113.6M31 V49 V452 A455 I456 I465 I471 A472 P473 I526 R550M31-W467 HydrophobicContact CE-CH2 3.76Å; M31-W467 HydrophobicContact CE-CZ2 3.52Å; M31-W467 HydrophobicContact SD-CH2 4.26Å; M31-W467 HydrophobicContact SD-CZ2 3.69Å; V49-W467 HydrophobicContact CG1-CH2 3.86Å; V49-W467 HydrophobicContact CG1-CZ2 4.3Å; V49-W467 HydrophobicContact CG1-CZ3 4.02Å; V49-W467 HydrophobicContact CG2-CH2 4.39Å; V49-W467 HydrophobicContact CG2-CZ2 3.99Å; V452-W467 HydrophobicContact CG1-CH2 3.96Å; V452-W467 HydrophobicContact CG1-CZ3 4.49Å; A455-W467 HydrophobicContact CB-CZ3 4.08Å; I456-W467 HydrophobicContact CD1-CH2 3.55Å; I456-W467 HydrophobicContact CD1-CZ2 4.08Å; I456-W467 HydrophobicContact CD1-CZ3 4.33Å; I456-W467 HydrophobicContact CG1-CH2 3.35Å; I456-W467 HydrophobicContact CG1-CZ2 4.05Å; I456-W467 HydrophobicContact CG1-CZ3 3.66Å; I465-W467 HydrophobicContact CD1-CZ2 3.81Å; I465-W467 HydrophobicContact CG2-CD2 3.58Å; I465-W467 HydrophobicContact CG2-CE3 4.09Å; I465-W467 HydrophobicContact CG2-CG 3.97Å; I465-W467 HydrophobicContact CG2-CH2 4.2Å; I465-W467 HydrophobicContact CG2-CZ2 3.69Å; I465-W467 HydrophobicContact CG2-CZ3 4.37Å; W467-I471 HydrophobicContact CE3-CD1 3.72Å; W467-I471 HydrophobicContact CE3-CG1 3.86Å; W467-I471 HydrophobicContact CZ3-CD1 3.93Å; W467-I471 HydrophobicContact CZ3-CG1 4.45Å; W467-A472 HydrophobicContact CB-CB 3.78Å; W467-A472 HydrophobicContact CG-CB 4.18Å; W467-P473 VanDerWaalsContact CD1-CD 3.43Å; W467-I526 PolarHBondContact NE1-O 2.98Å; W467-R550 PolarHBondContact O-NH2 3.32Å
468P96.7Very high97.2Very high3 Ų332.7 Ų32.72%0.01916%0.158CC..  trans-56.9134.1147.8-19.232000110.1M188 A470 I471 A472M188-P468 WeakPolarHBondContact O-CB 3.45Å; M188-P468 WeakPolarHBondContact O-CG 3.35Å; P468-A470 PolarHBondContact O-N 2.85Å; P468-I471 HydrophobicContact CB-CG1 4.2Å; P468-I471 HydrophobicContact CG-CD1 4.18Å; P468-I471 HydrophobicContact CG-CG1 4.29Å; P468-I471 WeakPolarHBondContact O-CG1 3.26Å; P468-I471 PolarHBondContact O-N 3.37Å; P468-A472 PolarHBondContact O-N 3.28Å
469D95.2Very high97.3Very high68 Ų6830.6 Ų30.636%0.36415%0.148SC..THydrogen-bonded Turntrans-57.2-32.4-170.5-65.5-27.1000112.7I471 P529 Y548D469-I471 VanDerWaalsContact C-N 3.26Å; D469-I471 PolarHBondContact O-N 3.13Å; D469-P529 WeakPolarHBondContact OD1-CB 3.42Å; D469-Y548 PolarHBondContact OD1-OH 3.47Å; D469-Y548 PolarHBondContact OD2-OH 2.89Å
470A96.7Very high97.3Very high45 Ų4529.3 Ų29.337%0.37214%0.141SC..THydrogen-bonded Turntrans-60.8-29.7179.300000114.1I56 R187 P468I56-A470 HydrophobicContact CD1-CB 4.06Å; R187-A470 WeakPolarHBondContact O-CB 3.21Å; P468-A470 PolarHBondContact O-N 2.85Å
471I98.2Very high97.3Very high0 Ų025.1 Ų25.10%013%0.126CC..THydrogen-bonded Turntrans-115.7-1.4-173.364.1173.1000113.8V49 V53 I56 M188 A455 W467 P468 D469V49-I471 HydrophobicContact CG1-CB 4.43Å; V53-I471 HydrophobicContact CG2-CB 4.46Å; V53-I471 HydrophobicContact CG2-CG2 3.97Å; I56-I471 HydrophobicContact CD1-CG2 3.95Å; M188-I471 HydrophobicContact CB-CG2 4.48Å; M188-I471 HydrophobicContact CG-CG2 4.08Å; A455-I471 HydrophobicContact CB-CD1 3.61Å; W467-I471 HydrophobicContact CE3-CD1 3.72Å; W467-I471 HydrophobicContact CE3-CG1 3.86Å; W467-I471 HydrophobicContact CZ3-CD1 3.93Å; W467-I471 HydrophobicContact CZ3-CG1 4.45Å; P468-I471 HydrophobicContact CB-CG1 4.2Å; P468-I471 HydrophobicContact CG-CD1 4.18Å; P468-I471 HydrophobicContact CG-CG1 4.29Å; P468-I471 WeakPolarHBondContact O-CG1 3.26Å; P468-I471 PolarHBondContact O-N 3.37Å; D469-I471 VanDerWaalsContact C-N 3.26Å; D469-I471 PolarHBondContact O-N 3.13Å
472A98.2Very high97.1Very high0 Ų026.8 Ų26.80%014%0.135CC..  trans-55.9138.5176.900000112.2K52 W467 P468 F474 P529K52-A472 WeakPolarHBondContact CD-O 3.43Å; K52-A472 WeakPolarHBondContact CE-O 3.43Å; K52-A472 PolarHBondContact NZ-O 3.19Å; W467-A472 HydrophobicContact CB-CB 3.78Å; W467-A472 HydrophobicContact CG-CB 4.18Å; P468-A472 PolarHBondContact O-N 3.28Å; A472-F474 VanDerWaalsContact C-N 3.28Å; A472-F474 PolarHBondContact O-N 3.48Å; A472-P529 HydrophobicContact CB-CG 3.54Å
473P98.1Very high97Very high0 Ų020.6 Ų20.60%011%0.106CC..SBendtrans-63.9-33.5-17523.8-33000112.7T45 R48 V49 W467T45-P473 HydrophobicContact CG2-CB 4Å; T45-P473 HydrophobicContact CG2-CG 4.02Å; R48-P473 HydrophobicContact CB-CB 4.24Å; R48-P473 VanDerWaalsContact CZ-O 3.23Å; R48-P473 PolarHBondContact NE-O 3.28Å; R48-P473 PolarHBondContact NH2-O 2.88Å; V49-P473 HydrophobicContact CG2-CB 3.89Å; V49-P473 HydrophobicContact CG2-CG 4.23Å; W467-P473 VanDerWaalsContact CD1-CD 3.43Å
474F98.4Very high96.8Very high3 Ų319.7 Ų19.71%0.01311%0.107CC..  trans-137.6156.1169.8-60.4-85.8000107.6M1 Y6 A472 E506 L508 I528 P529M1-F474 HydrophobicContact CB-CE1 3.61Å; M1-F474 HydrophobicContact CB-CZ 3.89Å; M1-F474 HydrophobicContact CG-CE1 4.34Å; M1-F474 HydrophobicContact CG-CZ 4.14Å; Y6-F474 HydrophobicContact CE1-CE2 4.08Å; Y6-F474 HydrophobicContact CE1-CZ 4.38Å; Y6-F474 HydrophobicContact CE2-CE2 4.42Å; Y6-F474 AromaticContact CE2-CZ 3.98Å; Y6-F474 HydrophobicContact CE2-CZ 3.98Å; Y6-F474 AromaticContact CZ-CE2 3.85Å; Y6-F474 AromaticContact CZ-CZ 3.88Å; A472-F474 VanDerWaalsContact C-N 3.28Å; A472-F474 PolarHBondContact O-N 3.48Å; F474-E506 HydrophobicContact CD1-CB 4.43Å; F474-L508 HydrophobicContact CB-CB 4.29Å; F474-L508 HydrophobicContact CD1-CB 4.08Å; F474-L508 HydrophobicContact CD2-CB 3.95Å; F474-L508 HydrophobicContact CD2-CD2 4.11Å; F474-L508 HydrophobicContact CD2-CG 4.47Å; F474-L508 HydrophobicContact CE1-CB 4.41Å; F474-L508 HydrophobicContact CE2-CB 4.28Å; F474-L508 HydrophobicContact CE2-CD1 4.18Å; F474-L508 HydrophobicContact CE2-CD2 4.09Å; F474-L508 HydrophobicContact CE2-CG 4.42Å; F474-L508 HydrophobicContact CG-CB 3.84Å; F474-L508 HydrophobicContact CZ-CB 4.49Å; F474-L508 HydrophobicContact CZ-CD1 4.09Å; F474-I528 HydrophobicContact CB-CD1 3.87Å; F474-I528 HydrophobicContact CB-CG1 4.06Å; F474-I528 HydrophobicContact CB-CG2 4.46Å; F474-I528 HydrophobicContact CD2-CD1 3.98Å; F474-I528 HydrophobicContact CD2-CG1 4.49Å; F474-I528 HydrophobicContact CG-CD1 4.29Å; F474-P529 VanDerWaalsContact O-CD 3.26Å; F474-P529 WeakPolarHBondContact O-CD 3.47Å
475Q98Very high96.6Very high46 Ų4627.5 Ų27.522%0.21514%0.14CC..SBendtrans-88.8-41.7178.2-65.4169.7-60.100110.7I505 E506 H530 I570Q475-I505 HydrophobicContact CB-CG2 3.99Å; Q475-E506 HydrophobicContact CG-CB 4.41Å; Q475-E506 PolarHBondContact N-O 2.71Å; Q475-H530 WeakPolarHBondContact O-CB 3.46Å; Q475-H530 PolarHBondContact O-CD2 2.8Å; Q475-H530 VanDerWaalsContact O-CD2 3.32Å; Q475-H530 PolarHBondContact O-N 2.99Å; Q475-H530 VanDerWaalsContact O-N 3.08Å; Q475-I570 HydrophobicContact CB-CD1 4.09Å; Q475-I570 HydrophobicContact CG-CG2 4.48Å
476V98.5Very high96.4Very high0 Ų028.1 Ų28.10%014%0.144CC..EExtended strand (participates in β ladder)trans-124.1134.3-177-177.90000111.6I478 L500 I505 E506 V507 L508 H530 I532 L566 I570V476-I478 HydrophobicContact CG1-CG1 4.31Å; V476-L500 HydrophobicContact CG1-CD1 4.05Å; V476-I505 HydrophobicContact CB-CG2 4.35Å; V476-I505 HydrophobicContact CG2-CG2 3.68Å; V476-E506 PolarHBondContact N-O 3.04Å; V476-E506 VanDerWaalsContact N-O 3.17Å; V476-V507 HydrophobicContact CB-CG1 4.47Å; V476-V507 HydrophobicContact CB-CG2 4.42Å; V476-V507 CarbonylContact O-C 3.6Å; V476-V507 WeakPolarHBondContact O-CA 3.4Å; V476-L508 PolarHBondContact O-N 3.28Å; V476-H530 CarbonylContact C-O 3.57Å; V476-H530 VanDerWaalsContact CA-O 3.25Å; V476-H530 WeakPolarHBondContact CA-O 3.44Å; V476-H530 HydrophobicContact CG2-CB 4.08Å; V476-I532 HydrophobicContact CG1-CG1 4.39Å; V476-L566 HydrophobicContact CG1-CD1 4.15Å; V476-L566 HydrophobicContact CG2-CD1 4.22Å; V476-L566 HydrophobicContact CG2-CD2 4.35Å; V476-I570 HydrophobicContact CG2-CD1 3.56Å
477A98.4Very high96.3Very high0 Ų034.6 Ų34.60%017%0.172CC..EExtended strand (participates in β ladder)trans-106.9127.8166.600000109.8L479 L508 M523 I528 H530 I532A477-L479 HydrophobicContact CB-CD1 3.68Å; A477-L508 CarbonylContact C-O 3.59Å; A477-L508 VanDerWaalsContact CA-O 3.31Å; A477-L508 WeakPolarHBondContact CA-O 3.34Å; A477-M523 HydrophobicContact CB-CG 4.23Å; A477-M523 HydrophobicContact CB-SD 3.86Å; A477-I528 HydrophobicContact CB-CB 4.13Å; A477-I528 HydrophobicContact CB-CD1 3.86Å; A477-I528 HydrophobicContact CB-CG2 3.81Å; A477-H530 PolarHBondContact N-O 2.83Å; A477-I532 PolarHBondContact O-N 3Å
478I98.5Very high96.2Very high0 Ų039.4 Ų39.40%019%0.19CC..EExtended strand (participates in β ladder)trans-105.1119.9173.3-51.8-175.1000108.4V476 P480 A493 L496 L500 V507 L508 L509 D510 I532 L534V476-I478 HydrophobicContact CG1-CG1 4.31Å; I478-P480 VanDerWaalsContact O-CD 3.22Å; I478-P480 WeakPolarHBondContact O-CD 3.46Å; I478-A493 HydrophobicContact CG2-CB 4.39Å; I478-L496 HydrophobicContact CD1-CB 4.1Å; I478-L500 HydrophobicContact CD1-CD1 4.23Å; I478-V507 HydrophobicContact CD1-CG1 3.63Å; I478-V507 HydrophobicContact CG1-CG1 3.67Å; I478-L508 PolarHBondContact N-O 2.87Å; I478-L509 HydrophobicContact CB-CD1 3.77Å; I478-L509 HydrophobicContact CG2-CD1 3.75Å; I478-D510 PolarHBondContact O-N 2.75Å; I478-I532 HydrophobicContact CB-CG1 4.21Å; I478-I532 HydrophobicContact CD1-CD1 4.24Å; I478-I532 HydrophobicContact CG1-CD1 3.86Å; I478-I532 HydrophobicContact CG1-CG1 3.89Å; I478-I532 HydrophobicContact CG2-CD1 4.36Å; I478-I532 HydrophobicContact CG2-CG1 4.2Å; I478-L534 HydrophobicContact CG2-CD1 3.68Å; I478-L534 HydrophobicContact CG2-CG 4.22Å
479L98Very high96.2Very high1 Ų139.2 Ų39.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-113.990.8-178.1-72.468000109.7A477 M481 M519 F520 M523 T531 I532 L534A477-L479 HydrophobicContact CB-CD1 3.68Å; L479-M481 HydrophobicContact CB-CE 3.72Å; L479-M481 WeakPolarHBondContact O-CE 3.15Å; L479-M481 PolarHBondContact O-N 2.79Å; L479-M519 HydrophobicContact CB-CE 4.39Å; L479-M519 HydrophobicContact CD2-CB 4.29Å; L479-F520 HydrophobicContact CD2-CD1 3.42Å; L479-F520 VanDerWaalsContact CD2-CD1 3.42Å; L479-F520 HydrophobicContact CD2-CE1 3.54Å; L479-F520 HydrophobicContact CD2-CG 4.28Å; L479-F520 HydrophobicContact CD2-CZ 4.47Å; L479-M523 HydrophobicContact CD1-CG 3.92Å; L479-M523 HydrophobicContact CD2-CG 4.11Å; L479-M523 HydrophobicContact CG-CG 4.22Å; L479-T531 HydrophobicContact CD1-CG2 3.62Å; L479-T531 HydrophobicContact CD2-CG2 4.17Å; L479-T531 HydrophobicContact CG-CG2 4.47Å; L479-I532 PolarHBondContact N-O 3.01Å; L479-L534 PolarHBondContact O-N 2.95Å
480P97.5Very high96.2Very high4 Ų440 Ų403%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-81.1105.2177.833.5-36.2000112I478 N482 M483 V489 A493 L509 D510I478-P480 VanDerWaalsContact O-CD 3.22Å; I478-P480 WeakPolarHBondContact O-CD 3.46Å; P480-N482 PolarHBondContact O-N 3.12Å; P480-M483 HydrophobicContact CB-CB 3.89Å; P480-M483 HydrophobicContact CB-CG 4.07Å; P480-M483 HydrophobicContact CB-SD 4.15Å; P480-M483 HydrophobicContact CG-CB 4.04Å; P480-M483 HydrophobicContact CG-CG 4.19Å; P480-M483 HydrophobicContact CG-SD 3.67Å; P480-M483 PolarHBondContact O-N 3.12Å; P480-V489 HydrophobicContact CB-CG1 3.57Å; P480-A493 HydrophobicContact CB-CB 3.89Å; P480-A493 HydrophobicContact CG-CB 4.32Å; P480-L509 HydrophobicContact CG-CD1 4.01Å; P480-D510 VanDerWaalsContact CD-O 3.28Å; P480-D510 WeakPolarHBondContact CD-O 3.33Å; P480-D510 WeakPolarHBondContact CG-O 3.19Å
481M96.1Very high96.3Very high23 Ų2343.6 Ų43.611%0.11320%0.199CC..THydrogen-bonded Turntrans-67.9122-179.5-60.5-62.396.300110.8L479 M483 P516 M519 F520 V533 L534L479-M481 HydrophobicContact CB-CE 3.72Å; L479-M481 WeakPolarHBondContact O-CE 3.15Å; L479-M481 PolarHBondContact O-N 2.79Å; M481-M483 PolarHBondContact O-N 3.18Å; M481-P516 HydrophobicContact CE-CB 4.48Å; M481-P516 HydrophobicContact SD-CB 3.55Å; M481-P516 VanDerWaalsContact SD-CB 3.55Å; M481-P516 HydrophobicContact SD-CG 3.64Å; M481-M519 HydrophobicContact CE-CE 4.03Å; M481-M519 HydrophobicContact CE-SD 3.9Å; M481-F520 HydrophobicContact CE-CZ 4.3Å; M481-F520 HydrophobicContact SD-CE2 4.22Å; M481-F520 HydrophobicContact SD-CZ 4.1Å; M481-V533 HydrophobicContact CE-CG1 4.28Å; M481-V533 HydrophobicContact CG-CG1 3.78Å; M481-V533 HydrophobicContact SD-CG1 4.24Å; M481-L534 VanDerWaalsContact CB-O 3.29Å; M481-L534 WeakPolarHBondContact CB-O 3.45Å; M481-L534 WeakPolarHBondContact CG-O 3.25Å; M481-L534 PolarHBondContact N-O 3.41Å
482N91.7Very high96.2Very high81 Ų8144.6 Ų44.643%0.43320%0.204SC..THydrogen-bonded Turntrans53.736.5-179.5-59.7-52.6000113.6P480 H484 K485 S486P480-N482 PolarHBondContact O-N 3.12Å; N482-H484 PolarHBondContact O-N 3.08Å; N482-K485 HydrophobicContact CB-CB 4.45Å; N482-K485 PolarHBondContact O-N 2.82Å; N482-S486 PolarHBondContact O-N 3.25Å
483M92.6Very high96.2Very high22 Ų2244.6 Ų44.611%0.10820%0.204CC..THydrogen-bonded Turntrans-44.8-39.5-179.4-169.6-179.1168.900114.1P480 M481 K485 S486 Q490 E494 D511P480-M483 HydrophobicContact CB-CB 3.89Å; P480-M483 HydrophobicContact CB-CG 4.07Å; P480-M483 HydrophobicContact CB-SD 4.15Å; P480-M483 HydrophobicContact CG-CB 4.04Å; P480-M483 HydrophobicContact CG-CG 4.19Å; P480-M483 HydrophobicContact CG-SD 3.67Å; P480-M483 PolarHBondContact O-N 3.12Å; M481-M483 PolarHBondContact O-N 3.18Å; M483-K485 PolarHBondContact O-N 3.25Å; M483-S486 PolarHBondContact O-N 3.33Å; M483-Q490 HydrophobicContact CE-CB 4.2Å; M483-Q490 HydrophobicContact CE-CG 3.69Å; M483-Q490 HydrophobicContact CG-CB 3.81Å; M483-Q490 HydrophobicContact CG-CG 4.27Å; M483-E494 HydrophobicContact CE-CG 4.38Å; M483-D511 HydrophobicContact SD-CB 4.33Å
484H90.9Very high96.2Very high97 Ų9746.8 Ų46.845%0.44922%0.215SC..THydrogen-bonded Turntrans-72.5-8.8-179.563.6-80.8000114.9N482N482-H484 PolarHBondContact O-N 3.08Å
485K92.8Very high96.2Very high165 Ų16552.1 Ų52.172%0.71724%0.238SC*.THydrogen-bonded Turntrans-113.4-17.6177.5-62-176.4-179.5177.20113N482 M483N482-K485 HydrophobicContact CB-CB 4.45Å; N482-K485 PolarHBondContact O-N 2.82Å; M483-K485 PolarHBondContact O-N 3.25Å
486S94.7Very high96.2Very high12 Ų1250 Ų508%0.08423%0.228CC..  trans-119.6106.6-179175.40000110.4N482 M483 R488 V489 Q490 D536N482-S486 PolarHBondContact O-N 3.25Å; M483-S486 PolarHBondContact O-N 3.33Å; S486-R488 PolarHBondContact O-N 3.49Å; S486-V489 PolarHBondContact O-N 2.78Å; S486-V489 WeakPolarHBondContact OG-CG2 3.49Å; S486-V489 PolarHBondContact OG-N 3.31Å; S486-V489 VanDerWaalsContact OG-N 3.16Å; S486-Q490 WeakPolarHBondContact O-CB 3.45Å; S486-Q490 PolarHBondContact O-N 2.89Å; S486-D536 WeakPolarHBondContact CB-OD1 3.44Å; S486-D536 WeakPolarHBondContact CB-OD2 3.31Å; S486-D536 PolarHBondContact OG-OD1 3.05Å; S486-D536 PolarHBondContact OG-OD2 3.23Å
487F94.7Very high96.2Very high153 Ų15351.1 Ų51.167%0.67123%0.232SC*.Hα-helixtrans-57.5-38.4173.7-179.1-96.8000111.3Q490 E491F487-Q490 PolarHBondContact O-N 2.95Å; F487-E491 WeakPolarHBondContact O-CB 2.9Å; F487-E491 PolarHBondContact O-N 3.31Å
488R95.7Very high96.1Very high104 Ų10454.5 Ų54.539%0.39226%0.256SS..Hα-helixtrans-62.6-46.8178.3-174.7-175.3179.3-1713.2112.2S486 L492 L539 D540S486-R488 PolarHBondContact O-N 3.49Å; R488-L492 WeakPolarHBondContact O-CB 3.48Å; R488-L492 PolarHBondContact O-N 2.74Å; R488-L492 VanDerWaalsContact O-N 3.1Å; R488-L539 HydrophobicContact CG-CD1 4.24Å; R488-L539 VanDerWaalsContact CZ-CB 3.4Å; R488-L539 PolarHBondContact NH1-O 3.04Å; R488-L539 PolarHBondContact NH2-O 3.37Å; R488-D540 IonicContact NH1-OD1 2.85Å; R488-D540 PolarHBondContact NH1-OD1 2.82Å
489V96.9Very high96.1Very high0 Ų058 Ų580%027%0.272CS..Hα-helixtrans-64.9-42.4176.5170.10000110.6P480 S486 A493 L534 L539P480-V489 HydrophobicContact CB-CG1 3.57Å; S486-V489 PolarHBondContact O-N 2.78Å; S486-V489 WeakPolarHBondContact OG-CG2 3.49Å; S486-V489 PolarHBondContact OG-N 3.31Å; S486-V489 VanDerWaalsContact OG-N 3.16Å; V489-A493 VanDerWaalsContact O-CB 3.25Å; V489-A493 WeakPolarHBondContact O-CB 3.36Å; V489-A493 PolarHBondContact O-N 2.98Å; V489-L534 HydrophobicContact CG1-CB 4.12Å; V489-L539 HydrophobicContact CG2-CD1 3.79Å
490Q96.5Very high96.1Very high85 Ų8557.9 Ų57.940%0.39727%0.272SS..Hα-helixtrans-60-51.9177.5173.1169.528.800112.1M483 S486 F487 L492 A493 E494M483-Q490 HydrophobicContact CE-CB 4.2Å; M483-Q490 HydrophobicContact CE-CG 3.69Å; M483-Q490 HydrophobicContact CG-CB 3.81Å; M483-Q490 HydrophobicContact CG-CG 4.27Å; S486-Q490 WeakPolarHBondContact O-CB 3.45Å; S486-Q490 PolarHBondContact O-N 2.89Å; F487-Q490 PolarHBondContact O-N 2.95Å; Q490-L492 PolarHBondContact O-N 2.82Å; Q490-A493 PolarHBondContact O-N 2.81Å; Q490-E494 VanDerWaalsContact O-CG 3.32Å; Q490-E494 WeakPolarHBondContact O-CG 3.41Å; Q490-E494 PolarHBondContact O-N 2.85Å; Q490-E494 VanDerWaalsContact O-N 3.09Å
491E97Very high96.1Very high119 Ų11964.5 Ų64.556%0.55630%0.296SS*.Hα-helixtrans-59.6-46.2-179.8-177.3177.5-137.100111.4F487 E494 K495F487-E491 WeakPolarHBondContact O-CB 2.9Å; F487-E491 PolarHBondContact O-N 3.31Å; E491-E494 PolarHBondContact O-N 2.88Å; E491-K495 WeakPolarHBondContact O-CB 3.37Å; E491-K495 PolarHBondContact O-N 3.27Å
492L97.4Very high96.2Very high21 Ų2167.4 Ų67.411%0.1132%0.324CS..Hα-helixtrans-64.8-41.7178.7-178.361.2000112.3R488 Q490 E494 K495 L496 L534 L539 I544 T559R488-L492 WeakPolarHBondContact O-CB 3.48Å; R488-L492 PolarHBondContact O-N 2.74Å; R488-L492 VanDerWaalsContact O-N 3.1Å; Q490-L492 PolarHBondContact O-N 2.82Å; L492-E494 VanDerWaalsContact C-N 3.33Å; L492-E494 PolarHBondContact O-N 3.41Å; L492-K495 PolarHBondContact O-N 3.44Å; L492-L496 HydrophobicContact CD1-CD1 3.95Å; L492-L496 HydrophobicContact CD1-CD2 4.44Å; L492-L496 HydrophobicContact CD1-CG 3.92Å; L492-L496 HydrophobicContact CG-CD1 3.89Å; L492-L496 HydrophobicContact CG-CG 4.27Å; L492-L496 WeakPolarHBondContact O-CB 3.48Å; L492-L496 VanDerWaalsContact O-CG 3.31Å; L492-L496 WeakPolarHBondContact O-CG 3.45Å; L492-L496 PolarHBondContact O-N 2.99Å; L492-L534 HydrophobicContact CD2-CD2 4.14Å; L492-L534 HydrophobicContact CG-CD1 4.34Å; L492-L539 HydrophobicContact CD2-CD1 4.04Å; L492-L539 HydrophobicContact CD2-CD2 3.35Å; L492-L539 HydrophobicContact CD2-CG 4.35Å; L492-I544 HydrophobicContact CD2-CD1 4.27Å; L492-T559 HydrophobicContact CD1-CG2 3.64Å; L492-T559 HydrophobicContact CD2-CG2 3.91Å; L492-T559 HydrophobicContact CG-CG2 4.44Å
493A97.9Very high96.4Very high0 Ų067.8 Ų67.80%032%0.323CS..Hα-helixtrans-60.3-43.9178.100000111.8I478 P480 V489 Q490 Y497 L509 L534I478-A493 HydrophobicContact CG2-CB 4.39Å; P480-A493 HydrophobicContact CB-CB 3.89Å; P480-A493 HydrophobicContact CG-CB 4.32Å; V489-A493 VanDerWaalsContact O-CB 3.25Å; V489-A493 WeakPolarHBondContact O-CB 3.36Å; V489-A493 PolarHBondContact O-N 2.98Å; Q490-A493 PolarHBondContact O-N 2.81Å; A493-Y497 WeakPolarHBondContact O-CB 3.47Å; A493-Y497 PolarHBondContact O-N 3.32Å; A493-L509 HydrophobicContact CB-CD1 4.07Å; A493-L534 VanDerWaalsContact CA-CD1 3.49Å; A493-L534 HydrophobicContact CB-CD1 3.65Å
494E97.7Very high96.6Very high47 Ų4769.7 Ų69.722%0.2235%0.348CS..Hα-helixtrans-68.4-39.2178.6-66.5-66.2-179.400112.5R2 M483 Q490 E491 L492 S498R2-E494 IonicContact CZ-OE1 3.98Å; R2-E494 IonicContact CZ-OE2 3.87Å; R2-E494 IonicContact NH1-OE1 3.74Å; R2-E494 PolarHBondContact NH1-OE1 3.37Å; R2-E494 IonicContact NH1-OE2 3.18Å; R2-E494 IonicContact NH2-OE1 2.91Å; R2-E494 PolarHBondContact NH2-OE1 3.28Å; R2-E494 IonicContact NH2-OE2 3.52Å; R2-E494 PolarHBondContact NH2-OE2 3.28Å; M483-E494 HydrophobicContact CE-CG 4.38Å; Q490-E494 VanDerWaalsContact O-CG 3.32Å; Q490-E494 WeakPolarHBondContact O-CG 3.41Å; Q490-E494 PolarHBondContact O-N 2.85Å; Q490-E494 VanDerWaalsContact O-N 3.09Å; E491-E494 PolarHBondContact O-N 2.88Å; L492-E494 VanDerWaalsContact C-N 3.33Å; L492-E494 PolarHBondContact O-N 3.41Å; E494-S498 WeakPolarHBondContact O-CB 3.17Å; E494-S498 PolarHBondContact O-N 3.2Å; E494-S498 PolarHBondContact O-OG 3.45Å
495K97.8Very high96.9Very high114 Ų11465.3 Ų65.350%0.49633%0.328SS..Hα-helixtrans-60.4-56.4174-179.5-176.8171.7-173.20110.9E491 L492 Y497 S498 E499E491-K495 WeakPolarHBondContact O-CB 3.37Å; E491-K495 PolarHBondContact O-N 3.27Å; L492-K495 PolarHBondContact O-N 3.44Å; K495-Y497 VanDerWaalsContact C-N 3.31Å; K495-Y497 PolarHBondContact O-N 2.96Å; K495-S498 PolarHBondContact O-N 3.43Å; K495-E499 WeakPolarHBondContact CE-OE1 3.37Å; K495-E499 HydrophobicContact CG-CG 4.41Å; K495-E499 IonicContact NZ-OE1 2.87Å; K495-E499 WeakPolarHBondContact O-CG 3.38Å; K495-E499 PolarHBondContact O-N 3.17Å
496L98.1Very high97.2Very high2 Ų260.2 Ų60.21%0.0131%0.307CS..Hα-helixtrans-61.2-39.8-179.1-68.5175.8000112.1I478 L492 S498 E499 L500 I532 L534 I544 I562 V563I478-L496 HydrophobicContact CD1-CB 4.1Å; L492-L496 HydrophobicContact CD1-CD1 3.95Å; L492-L496 HydrophobicContact CD1-CD2 4.44Å; L492-L496 HydrophobicContact CD1-CG 3.92Å; L492-L496 HydrophobicContact CG-CD1 3.89Å; L492-L496 HydrophobicContact CG-CG 4.27Å; L492-L496 WeakPolarHBondContact O-CB 3.48Å; L492-L496 VanDerWaalsContact O-CG 3.31Å; L492-L496 WeakPolarHBondContact O-CG 3.45Å; L492-L496 PolarHBondContact O-N 2.99Å; L496-S498 VanDerWaalsContact C-N 3.3Å; L496-S498 PolarHBondContact O-N 3.1Å; L496-E499 PolarHBondContact O-N 3.29Å; L496-L500 VanDerWaalsContact O-CB 3.31Å; L496-L500 WeakPolarHBondContact O-CB 3.49Å; L496-L500 VanDerWaalsContact O-CG 3.3Å; L496-L500 WeakPolarHBondContact O-CG 3.26Å; L496-L500 PolarHBondContact O-N 2.88Å; L496-I532 HydrophobicContact CD1-CD1 4Å; L496-L534 HydrophobicContact CD1-CD1 4.16Å; L496-L534 HydrophobicContact CD1-CD2 3.84Å; L496-I544 HydrophobicContact CD1-CD1 3.73Å; L496-I562 HydrophobicContact CD1-CG2 4.39Å; L496-I562 HydrophobicContact CD2-CG2 3.57Å; L496-V563 HydrophobicContact CD2-CG2 3.68Å
497Y98.3Very high97.4Very high23 Ų2359.8 Ų59.89%0.0930%0.304CS..Hα-helixtrans-57.4-44.9174.2176.3-102.3000111.7M1 A493 K495 R501 V507 L509M1-Y497 PolarHBondContact N-OH 2.71Å; A493-Y497 WeakPolarHBondContact O-CB 3.47Å; A493-Y497 PolarHBondContact O-N 3.32Å; K495-Y497 VanDerWaalsContact C-N 3.31Å; K495-Y497 PolarHBondContact O-N 2.96Å; Y497-R501 HydrophobicContact CE2-CG 4.43Å; Y497-R501 VanDerWaalsContact CZ-CD 3.47Å; Y497-R501 WeakPolarHBondContact O-CB 3.36Å; Y497-R501 VanDerWaalsContact O-CG 3.27Å; Y497-R501 WeakPolarHBondContact O-CG 3.37Å; Y497-R501 PolarHBondContact O-N 2.84Å; Y497-R501 PolarHBondContact OH-NH1 3.37Å; Y497-V507 HydrophobicContact CD2-CB 4.06Å; Y497-V507 HydrophobicContact CD2-CG1 3.79Å; Y497-V507 HydrophobicContact CE2-CB 4.22Å; Y497-V507 HydrophobicContact CE2-CG1 4.32Å; Y497-L509 HydrophobicContact CD2-CB 3.71Å; Y497-L509 HydrophobicContact CD2-CD2 4.34Å; Y497-L509 HydrophobicContact CE2-CB 4.06Å; Y497-L509 HydrophobicContact CG-CB 4.4Å; Y497-L509 HydrophobicContact CG-CD2 4.22Å
498S98.1Very high97.5Very high71 Ų7152.5 Ų52.550%0.49727%0.272SS..Hα-helixtrans-70.3-44.3-179.6-57.40000112E494 K495 L496 R501 A502E494-S498 WeakPolarHBondContact O-CB 3.17Å; E494-S498 PolarHBondContact O-N 3.2Å; E494-S498 PolarHBondContact O-OG 3.45Å; K495-S498 PolarHBondContact O-N 3.43Å; L496-S498 VanDerWaalsContact C-N 3.3Å; L496-S498 PolarHBondContact O-N 3.1Å; S498-R501 PolarHBondContact O-N 2.94Å; S498-A502 WeakPolarHBondContact O-CB 3.37Å; S498-A502 PolarHBondContact O-N 3.46Å
499E98Very high97.7Very high73 Ų7347.6 Ų47.634%0.34125%0.253SS..Hα-helixtrans-64.8-47.6-179.4-72.9175.5166.300112.3K495 L496 R501 A502 Q503 V563K495-E499 WeakPolarHBondContact CE-OE1 3.37Å; K495-E499 HydrophobicContact CG-CG 4.41Å; K495-E499 IonicContact NZ-OE1 2.87Å; K495-E499 WeakPolarHBondContact O-CG 3.38Å; K495-E499 PolarHBondContact O-N 3.17Å; L496-E499 PolarHBondContact O-N 3.29Å; E499-R501 PolarHBondContact O-N 3.2Å; E499-A502 WeakPolarHBondContact O-CB 3.22Å; E499-A502 PolarHBondContact O-N 2.81Å; E499-Q503 PolarHBondContact O-N 3.13Å; E499-V563 HydrophobicContact CB-CG2 4.33Å
500L98Very high97.7Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-63.8-41.3177.5-71169.4000111.4V476 I478 L496 A502 Q503 I505 V507 I532 V563 L566V476-L500 HydrophobicContact CG1-CD1 4.05Å; I478-L500 HydrophobicContact CD1-CD1 4.23Å; L496-L500 VanDerWaalsContact O-CB 3.31Å; L496-L500 WeakPolarHBondContact O-CB 3.49Å; L496-L500 VanDerWaalsContact O-CG 3.3Å; L496-L500 WeakPolarHBondContact O-CG 3.26Å; L496-L500 PolarHBondContact O-N 2.88Å; L500-A502 VanDerWaalsContact C-N 3.32Å; L500-A502 PolarHBondContact O-N 2.94Å; L500-Q503 WeakPolarHBondContact O-CB 3.4Å; L500-Q503 PolarHBondContact O-N 3.3Å; L500-Q503 VanDerWaalsContact O-N 3.09Å; L500-I505 HydrophobicContact CB-CB 4.41Å; L500-I505 HydrophobicContact CD2-CD1 3.77Å; L500-I505 WeakPolarHBondContact O-CB 3.27Å; L500-I505 PolarHBondContact O-N 2.83Å; L500-I505 VanDerWaalsContact O-N 3.15Å; L500-V507 HydrophobicContact CB-CG2 3.55Å; L500-V507 HydrophobicContact CD1-CG2 4.22Å; L500-I532 HydrophobicContact CD1-CD1 4.5Å; L500-V563 HydrophobicContact CD2-CG1 4.26Å; L500-L566 HydrophobicContact CD1-CD1 3.99Å; L500-L566 HydrophobicContact CD2-CB 4.12Å; L500-L566 HydrophobicContact CD2-CD1 3.92Å
501R97.4Very high97.7Very high142 Ų14245.3 Ų45.354%0.53624%0.244SC..Hα-helixtrans-64.3-35.8175.4-78.2-164.870.9-162.4-0.1112.8Y497 S498 E499 Q503 G504 V507Y497-R501 HydrophobicContact CE2-CG 4.43Å; Y497-R501 VanDerWaalsContact CZ-CD 3.47Å; Y497-R501 WeakPolarHBondContact O-CB 3.36Å; Y497-R501 VanDerWaalsContact O-CG 3.27Å; Y497-R501 WeakPolarHBondContact O-CG 3.37Å; Y497-R501 PolarHBondContact O-N 2.84Å; Y497-R501 PolarHBondContact OH-NH1 3.37Å; S498-R501 PolarHBondContact O-N 2.94Å; E499-R501 PolarHBondContact O-N 3.2Å; R501-Q503 PolarHBondContact O-N 2.64Å; R501-G504 PolarHBondContact O-N 3.16Å; R501-V507 HydrophobicContact CG-CB 4.33Å; R501-V507 HydrophobicContact CG-CG2 4.12Å
502A97.3Very high97.6Very high84 Ų8442.5 Ų42.569%0.69423%0.228SC*.Hα-helixtrans-62.9-25.9174.700000112.2S498 E499 L500 G504S498-A502 WeakPolarHBondContact O-CB 3.37Å; S498-A502 PolarHBondContact O-N 3.46Å; E499-A502 WeakPolarHBondContact O-CB 3.22Å; E499-A502 PolarHBondContact O-N 2.81Å; L500-A502 VanDerWaalsContact C-N 3.32Å; L500-A502 PolarHBondContact O-N 2.94Å; A502-G504 PolarHBondContact O-N 3.09Å
503Q96.9Very high97.5Very high90 Ų9049.6 Ų49.642%0.42126%0.258SS..THydrogen-bonded Turntrans-80.13.4171.6-62.5-61.1-32.600113.7E499 L500 R501 I505 V567 K571E499-Q503 PolarHBondContact O-N 3.13Å; L500-Q503 WeakPolarHBondContact O-CB 3.4Å; L500-Q503 PolarHBondContact O-N 3.3Å; L500-Q503 VanDerWaalsContact O-N 3.09Å; R501-Q503 PolarHBondContact O-N 2.64Å; Q503-I505 VanDerWaalsContact C-N 3.26Å; Q503-I505 HydrophobicContact CB-CD1 4.19Å; Q503-I505 HydrophobicContact CB-CG1 4.24Å; Q503-I505 PolarHBondContact O-N 3.06Å; Q503-V567 HydrophobicContact CB-CG2 4.16Å; Q503-V567 HydrophobicContact CG-CG2 3.92Å; Q503-K571 WeakPolarHBondContact O-CE 3.42Å; Q503-K571 PolarHBondContact O-NZ 3.24Å
504G96.6Very high97.2Very high61 Ų6153.4 Ų53.463%0.62928%0.276SS*.THydrogen-bonded Turntrans75.712.4-175.600000113.9R501 A502R501-G504 PolarHBondContact O-N 3.16Å; A502-G504 PolarHBondContact O-N 3.09Å
505I97.9Very high97Very high5 Ų559.1 Ų59.13%0.02630%0.295CS..  trans-78.7136177.9-62.5170.7000109.6Q475 V476 L500 Q503 V507 V567 I570Q475-I505 HydrophobicContact CB-CG2 3.99Å; V476-I505 HydrophobicContact CB-CG2 4.35Å; V476-I505 HydrophobicContact CG2-CG2 3.68Å; L500-I505 HydrophobicContact CB-CB 4.41Å; L500-I505 HydrophobicContact CD2-CD1 3.77Å; L500-I505 WeakPolarHBondContact O-CB 3.27Å; L500-I505 PolarHBondContact O-N 2.83Å; L500-I505 VanDerWaalsContact O-N 3.15Å; Q503-I505 VanDerWaalsContact C-N 3.26Å; Q503-I505 HydrophobicContact CB-CD1 4.19Å; Q503-I505 HydrophobicContact CB-CG1 4.24Å; Q503-I505 PolarHBondContact O-N 3.06Å; I505-V507 HydrophobicContact CB-CG2 4.46Å; I505-V507 HydrophobicContact CG2-CG2 4.06Å; I505-V507 PolarHBondContact O-N 2.88Å; I505-V567 HydrophobicContact CD1-CG2 3.82Å; I505-I570 HydrophobicContact CD1-CD1 4.12Å; I505-I570 HydrophobicContact CG1-CD1 4.49Å; I505-I570 HydrophobicContact CG2-CD1 3.97Å
506E98.1Very high96.9Very high59 Ų5955.9 Ų55.928%0.27629%0.286SS..  trans-82.3103.3176.8-61.1-173.5130.600110.8R48 K52 F474 Q475 V476R48-E506 IonicContact CZ-OE1 2.69Å; R48-E506 IonicContact NH2-OE1 3.96Å; R48-E506 PolarHBondContact NH2-OE1 2.79Å; R48-E506 IonicContact NH2-OE2 3.87Å; R48-E506 PolarHBondContact NH2-OE2 2.57Å; R48-E506 VanDerWaalsContact NH2-OE2 3.12Å; K52-E506 WeakPolarHBondContact CE-OE2 3.31Å; K52-E506 IonicContact NZ-OE2 2.74Å; K52-E506 PolarHBondContact NZ-OE2 2.93Å; F474-E506 HydrophobicContact CD1-CB 4.43Å; Q475-E506 HydrophobicContact CG-CB 4.41Å; Q475-E506 PolarHBondContact N-O 2.71Å; V476-E506 PolarHBondContact N-O 3.04Å; V476-E506 VanDerWaalsContact N-O 3.17Å
507V98.5Very high96.7Very high3 Ų358.3 Ų58.32%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-106.8134.3-174.6-170.50000111.8M1 V476 I478 Y497 L500 R501 I505M1-V507 PolarHBondContact N-O 3.49Å; V476-V507 HydrophobicContact CB-CG1 4.47Å; V476-V507 HydrophobicContact CB-CG2 4.42Å; V476-V507 CarbonylContact O-C 3.6Å; V476-V507 WeakPolarHBondContact O-CA 3.4Å; I478-V507 HydrophobicContact CD1-CG1 3.63Å; I478-V507 HydrophobicContact CG1-CG1 3.67Å; Y497-V507 HydrophobicContact CD2-CB 4.06Å; Y497-V507 HydrophobicContact CD2-CG1 3.79Å; Y497-V507 HydrophobicContact CE2-CB 4.22Å; Y497-V507 HydrophobicContact CE2-CG1 4.32Å; L500-V507 HydrophobicContact CB-CG2 3.55Å; L500-V507 HydrophobicContact CD1-CG2 4.22Å; R501-V507 HydrophobicContact CG-CB 4.33Å; R501-V507 HydrophobicContact CG-CG2 4.12Å; I505-V507 HydrophobicContact CB-CG2 4.46Å; I505-V507 HydrophobicContact CG2-CG2 4.06Å; I505-V507 PolarHBondContact O-N 2.88Å
508L98.4Very high96.5Very high0 Ų058.9 Ų58.90%032%0.317CS..EExtended strand (participates in β ladder)trans-104.6117162.7-173.862.7000109.5M1 F474 V476 A477 I478 M523 I526 I528M1-L508 HydrophobicContact CB-CD1 3.99Å; M1-L508 HydrophobicContact CG-CD1 4.06Å; M1-L508 WeakPolarHBondContact O-CA 3.28Å; F474-L508 HydrophobicContact CB-CB 4.29Å; F474-L508 HydrophobicContact CD1-CB 4.08Å; F474-L508 HydrophobicContact CD2-CB 3.95Å; F474-L508 HydrophobicContact CD2-CD2 4.11Å; F474-L508 HydrophobicContact CD2-CG 4.47Å; F474-L508 HydrophobicContact CE1-CB 4.41Å; F474-L508 HydrophobicContact CE2-CB 4.28Å; F474-L508 HydrophobicContact CE2-CD1 4.18Å; F474-L508 HydrophobicContact CE2-CD2 4.09Å; F474-L508 HydrophobicContact CE2-CG 4.42Å; F474-L508 HydrophobicContact CG-CB 3.84Å; F474-L508 HydrophobicContact CZ-CB 4.49Å; F474-L508 HydrophobicContact CZ-CD1 4.09Å; V476-L508 PolarHBondContact O-N 3.28Å; A477-L508 CarbonylContact C-O 3.59Å; A477-L508 VanDerWaalsContact CA-O 3.31Å; A477-L508 WeakPolarHBondContact CA-O 3.34Å; I478-L508 PolarHBondContact N-O 2.87Å; L508-M523 HydrophobicContact CD2-CE 3.9Å; L508-M523 HydrophobicContact CD2-SD 3.85Å; L508-I526 HydrophobicContact CD2-CD1 3.93Å; L508-I528 HydrophobicContact CB-CD1 3.86Å; L508-I528 HydrophobicContact CD2-CD1 3.64Å; L508-I528 HydrophobicContact CG-CD1 4.37Å
509L98.4Very high96.4Very high0 Ų055.6 Ų55.60%029%0.294CS..EExtended strand (participates in β ladder)trans-97116.2173.7171.862.2000108.9M1 R2 T3 I478 P480 A493 Y497 D511M1-L509 PolarHBondContact O-N 2.96Å; R2-L509 WeakPolarHBondContact CA-O 3.33Å; T3-L509 PolarHBondContact N-O 3.01Å; T3-L509 PolarHBondContact OG1-O 3.19Å; I478-L509 HydrophobicContact CB-CD1 3.77Å; I478-L509 HydrophobicContact CG2-CD1 3.75Å; P480-L509 HydrophobicContact CG-CD1 4.01Å; A493-L509 HydrophobicContact CB-CD1 4.07Å; Y497-L509 HydrophobicContact CD2-CB 3.71Å; Y497-L509 HydrophobicContact CD2-CD2 4.34Å; Y497-L509 HydrophobicContact CE2-CB 4.06Å; Y497-L509 HydrophobicContact CG-CB 4.4Å; Y497-L509 HydrophobicContact CG-CD2 4.22Å; L509-D511 HydrophobicContact CG-CB 4.34Å; L509-D511 PolarHBondContact O-N 3.48Å
510D97.8Very high96.3Very high1 Ų155 Ų551%0.00529%0.291CS..  trans-82.381.6176.2-162.2-6.7000111.3T3 I478 P480 R512 M519 M523T3-D510 WeakPolarHBondContact OG1-CA 3.43Å; I478-D510 PolarHBondContact O-N 2.75Å; P480-D510 VanDerWaalsContact CD-O 3.28Å; P480-D510 WeakPolarHBondContact CD-O 3.33Å; P480-D510 WeakPolarHBondContact CG-O 3.19Å; D510-R512 VanDerWaalsContact C-N 3.27Å; D510-R512 PolarHBondContact O-N 3.45Å; D510-R512 WeakPolarHBondContact OD1-CB 3.35Å; D510-R512 WeakPolarHBondContact OD1-CG 3.21Å; D510-R512 IonicContact OD1-CZ 3.67Å; D510-R512 PolarHBondContact OD1-N 2.61Å; D510-R512 IonicContact OD1-NE 3.16Å; D510-R512 PolarHBondContact OD1-NE 3.34Å; D510-R512 IonicContact OD1-NH2 3.47Å; D510-R512 IonicContact OD2-CZ 2.65Å; D510-R512 IonicContact OD2-NE 3.66Å; D510-R512 IonicContact OD2-NH2 3.82Å; D510-R512 PolarHBondContact OD2-NH2 3.03Å; D510-M519 HydrophobicContact CB-CE 3.63Å; D510-M519 VanDerWaalsContact O-CE 3.29Å; D510-M519 WeakPolarHBondContact O-CE 3.46Å; D510-M519 WeakPolarHBondContact OD2-CB 3.3Å; D510-M519 WeakPolarHBondContact OD2-CG 3.35Å; D510-M523 HydrophobicContact CB-CE 4.42Å
511D96.4Very high96.2Very high36 Ų3657.4 Ų57.419%0.19331%0.31CS..  trans-87.813.3-179.967-28.7000113.6R2 T3 S4 M483 L509R2-D511 IonicContact NH1-OD2 3.06Å; T3-D511 PolarHBondContact N-OD1 3.08Å; S4-D511 VanDerWaalsContact CB-OD1 3.24Å; S4-D511 WeakPolarHBondContact CB-OD1 3.48Å; S4-D511 WeakPolarHBondContact CB-OD2 3.22Å; S4-D511 PolarHBondContact N-OD1 3.27Å; S4-D511 PolarHBondContact OG-OD1 3.07Å; S4-D511 VanDerWaalsContact OG-OD1 3.09Å; S4-D511 PolarHBondContact OG-OD2 3.5Å; M483-D511 HydrophobicContact SD-CB 4.33Å; L509-D511 HydrophobicContact CG-CB 4.34Å; L509-D511 PolarHBondContact O-N 3.48Å
512R95Very high96.2Very high60 Ų6051.2 Ų51.223%0.22629%0.288CS..  trans-70.2146.3177.7-64.8179-67.2171.12.7110.9T3 D510 E514 D522T3-R512 HydrophobicContact CG2-CG 3.96Å; T3-R512 VanDerWaalsContact CG2-NE 3.34Å; D510-R512 VanDerWaalsContact C-N 3.27Å; D510-R512 PolarHBondContact O-N 3.45Å; D510-R512 WeakPolarHBondContact OD1-CB 3.35Å; D510-R512 WeakPolarHBondContact OD1-CG 3.21Å; D510-R512 IonicContact OD1-CZ 3.67Å; D510-R512 PolarHBondContact OD1-N 2.61Å; D510-R512 IonicContact OD1-NE 3.16Å; D510-R512 PolarHBondContact OD1-NE 3.34Å; D510-R512 IonicContact OD1-NH2 3.47Å; D510-R512 IonicContact OD2-CZ 2.65Å; D510-R512 IonicContact OD2-NE 3.66Å; D510-R512 IonicContact OD2-NH2 3.82Å; D510-R512 PolarHBondContact OD2-NH2 3.03Å; R512-E514 HydrophobicContact CB-CB 4.08Å; R512-E514 PolarHBondContact O-N 2.88Å; R512-D522 IonicContact CZ-OD2 2.69Å; R512-D522 VanDerWaalsContact CZ-OD2 3.25Å; R512-D522 IonicContact NH1-OD2 3.78Å; R512-D522 PolarHBondContact NH1-OD2 3.29Å; R512-D522 IonicContact NH2-OD2 2.63Å; R512-D522 PolarHBondContact NH2-OD2 2.99Å
513K94.2Very high96.2Very high171 Ų17147.3 Ų47.374%0.74326%0.255SS*.SBendtrans-81.763.4168.1-167.6-179.3177.1179.40110.4
514E92.8Very high96.2Very high79 Ų7944.5 Ų44.537%0.36924%0.242SC..  trans-120.1163.1-175-170.950.6-106.200111.5R512 V518 M519R512-E514 HydrophobicContact CB-CB 4.08Å; R512-E514 PolarHBondContact O-N 2.88Å; E514-V518 HydrophobicContact CG-CB 3.69Å; E514-V518 HydrophobicContact CG-CG1 3.65Å; E514-V518 HydrophobicContact CG-CG2 4.36Å; E514-M519 HydrophobicContact CB-CG 4.33Å
515R93.9Very high96.2Very high167 Ų16742 Ų4263%0.6321%0.214SC*.  trans-70.3141.7178.1-65178.9-65.9178.62.4110.7G517 V518 M519R515-G517 VanDerWaalsContact C-N 3.27Å; R515-G517 PolarHBondContact O-N 3.24Å; R515-G517 VanDerWaalsContact O-N 3.13Å; R515-V518 PolarHBondContact O-N 3.34Å; R515-M519 PolarHBondContact O-N 2.72Å
516P94Very high96.2Very high46 Ų4641.8 Ų41.830%0.29921%0.213SC..Hα-helixtrans-48-45.4178.4-3337.5000114.3M481 V518 M519 F520M481-P516 HydrophobicContact CE-CB 4.48Å; M481-P516 HydrophobicContact SD-CB 3.55Å; M481-P516 VanDerWaalsContact SD-CB 3.55Å; M481-P516 HydrophobicContact SD-CG 3.64Å; P516-V518 VanDerWaalsContact C-N 3.27Å; P516-V518 PolarHBondContact O-N 3.08Å; P516-M519 WeakPolarHBondContact O-CB 3.22Å; P516-M519 PolarHBondContact O-N 3.35Å; P516-M519 VanDerWaalsContact O-N 3.14Å; P516-F520 VanDerWaalsContact C-CD2 3.5Å; P516-F520 HydrophobicContact CB-CD2 4.26Å; P516-F520 HydrophobicContact CB-CE2 3.86Å; P516-F520 WeakPolarHBondContact O-CD2 3.23Å; P516-F520 WeakPolarHBondContact O-CG 3.31Å; P516-F520 PolarHBondContact O-N 2.88Å
517G94.4Very high96.2Very high53 Ų5339 Ų3955%0.54620%0.2SC..Hα-helixtrans-59.8-33.5-179.300000114.2R515 A521R515-G517 VanDerWaalsContact C-N 3.27Å; R515-G517 PolarHBondContact O-N 3.24Å; R515-G517 VanDerWaalsContact O-N 3.13Å; G517-A521 WeakPolarHBondContact O-CB 3.48Å; G517-A521 PolarHBondContact O-N 3.29Å; G517-A521 VanDerWaalsContact O-N 3.1Å
518V95.1Very high96.1Very high35 Ų3538.8 Ų38.821%0.21220%0.199CC..Hα-helixtrans-76.4-41.3176.3176.50000110.3E514 R515 P516 F520 A521 D522E514-V518 HydrophobicContact CG-CB 3.69Å; E514-V518 HydrophobicContact CG-CG1 3.65Å; E514-V518 HydrophobicContact CG-CG2 4.36Å; R515-V518 PolarHBondContact O-N 3.34Å; P516-V518 VanDerWaalsContact C-N 3.27Å; P516-V518 PolarHBondContact O-N 3.08Å; V518-F520 VanDerWaalsContact C-N 3.33Å; V518-F520 PolarHBondContact O-N 2.92Å; V518-A521 PolarHBondContact O-N 2.89Å; V518-D522 WeakPolarHBondContact O-CB 3.46Å; V518-D522 PolarHBondContact O-N 3.23Å
519M96.2Very high96.1Very high2 Ų239 Ų391%0.0120%0.2CC..Hα-helixtrans-57.2-47.7174.6-59.2171.474.500110.9L479 M481 D510 E514 R515 P516 D522 M523L479-M519 HydrophobicContact CB-CE 4.39Å; L479-M519 HydrophobicContact CD2-CB 4.29Å; M481-M519 HydrophobicContact CE-CE 4.03Å; M481-M519 HydrophobicContact CE-SD 3.9Å; D510-M519 HydrophobicContact CB-CE 3.63Å; D510-M519 VanDerWaalsContact O-CE 3.29Å; D510-M519 WeakPolarHBondContact O-CE 3.46Å; D510-M519 WeakPolarHBondContact OD2-CB 3.3Å; D510-M519 WeakPolarHBondContact OD2-CG 3.35Å; E514-M519 HydrophobicContact CB-CG 4.33Å; R515-M519 PolarHBondContact O-N 2.72Å; P516-M519 WeakPolarHBondContact O-CB 3.22Å; P516-M519 PolarHBondContact O-N 3.35Å; P516-M519 VanDerWaalsContact O-N 3.14Å; M519-D522 PolarHBondContact O-N 3.02Å; M519-M523 VanDerWaalsContact O-CG 3.23Å; M519-M523 WeakPolarHBondContact O-CG 3.44Å; M519-M523 PolarHBondContact O-N 3.02Å; M519-M523 VanDerWaalsContact O-N 3.08Å
520F96Very high96.1Very high62 Ų6239.3 Ų39.327%0.27220%0.201SC..Hα-helixtrans-60.5-50.1176.4-69.2-57000112.2L479 M481 P516 V518 D522 M523 E524 V533L479-F520 HydrophobicContact CD2-CD1 3.42Å; L479-F520 VanDerWaalsContact CD2-CD1 3.42Å; L479-F520 HydrophobicContact CD2-CE1 3.54Å; L479-F520 HydrophobicContact CD2-CG 4.28Å; L479-F520 HydrophobicContact CD2-CZ 4.47Å; M481-F520 HydrophobicContact CE-CZ 4.3Å; M481-F520 HydrophobicContact SD-CE2 4.22Å; M481-F520 HydrophobicContact SD-CZ 4.1Å; P516-F520 VanDerWaalsContact C-CD2 3.5Å; P516-F520 HydrophobicContact CB-CD2 4.26Å; P516-F520 HydrophobicContact CB-CE2 3.86Å; P516-F520 WeakPolarHBondContact O-CD2 3.23Å; P516-F520 WeakPolarHBondContact O-CG 3.31Å; P516-F520 PolarHBondContact O-N 2.88Å; V518-F520 VanDerWaalsContact C-N 3.33Å; V518-F520 PolarHBondContact O-N 2.92Å; F520-D522 VanDerWaalsContact C-N 3.31Å; F520-D522 PolarHBondContact O-N 3.05Å; F520-M523 PolarHBondContact O-N 2.98Å; F520-E524 WeakPolarHBondContact O-CB 3.23Å; F520-E524 WeakPolarHBondContact O-CG 3.1Å; F520-E524 PolarHBondContact O-N 3.45Å; F520-V533 HydrophobicContact CE1-CG1 4.24Å; F520-V533 HydrophobicContact CE1-CG2 3.61Å; F520-V533 HydrophobicContact CZ-CG1 3.91Å; F520-V533 HydrophobicContact CZ-CG2 4.11Å
521A96Very high96.1Very high49 Ų4939.9 Ų39.941%0.40521%0.205SC..Hα-helixtrans-59.9-41.5-179.300000112.1G517 V518 L525G517-A521 WeakPolarHBondContact O-CB 3.48Å; G517-A521 PolarHBondContact O-N 3.29Å; G517-A521 VanDerWaalsContact O-N 3.1Å; V518-A521 PolarHBondContact O-N 2.89Å; A521-L525 WeakPolarHBondContact O-CB 3.25Å; A521-L525 PolarHBondContact O-N 2.9Å
522D97.1Very high96.1Very high13 Ų1338.2 Ų38.27%0.0720%0.196CC..Hα-helixtrans-64.8-46.1177.8-73.2-25.6000111.8L8 T10 R512 V518 M519 F520 L525 I526L8-D522 HydrophobicContact CD2-CB 4.22Å; T10-D522 WeakPolarHBondContact CB-OD1 3.43Å; T10-D522 HydrophobicContact CG2-CB 4.34Å; T10-D522 PolarHBondContact OG1-OD1 3.46Å; R512-D522 IonicContact CZ-OD2 2.69Å; R512-D522 VanDerWaalsContact CZ-OD2 3.25Å; R512-D522 IonicContact NH1-OD2 3.78Å; R512-D522 PolarHBondContact NH1-OD2 3.29Å; R512-D522 IonicContact NH2-OD2 2.63Å; R512-D522 PolarHBondContact NH2-OD2 2.99Å; V518-D522 WeakPolarHBondContact O-CB 3.46Å; V518-D522 PolarHBondContact O-N 3.23Å; M519-D522 PolarHBondContact O-N 3.02Å; F520-D522 VanDerWaalsContact C-N 3.31Å; F520-D522 PolarHBondContact O-N 3.05Å; D522-L525 PolarHBondContact O-N 2.93Å; D522-I526 WeakPolarHBondContact O-CG1 3.43Å; D522-I526 WeakPolarHBondContact O-CG2 3.43Å; D522-I526 PolarHBondContact O-N 2.83Å
523M96.8Very high96.3Very high2 Ų235.8 Ų35.81%0.0119%0.188CC..Hα-helixtrans-67.4-37.8-178.9-63.3-60.1121.200112.3L8 A477 L479 L508 D510 M519 F520 I526 G527 I528L8-M523 HydrophobicContact CD2-CE 3.75Å; A477-M523 HydrophobicContact CB-CG 4.23Å; A477-M523 HydrophobicContact CB-SD 3.86Å; L479-M523 HydrophobicContact CD1-CG 3.92Å; L479-M523 HydrophobicContact CD2-CG 4.11Å; L479-M523 HydrophobicContact CG-CG 4.22Å; L508-M523 HydrophobicContact CD2-CE 3.9Å; L508-M523 HydrophobicContact CD2-SD 3.85Å; D510-M523 HydrophobicContact CB-CE 4.42Å; M519-M523 VanDerWaalsContact O-CG 3.23Å; M519-M523 WeakPolarHBondContact O-CG 3.44Å; M519-M523 PolarHBondContact O-N 3.02Å; M519-M523 VanDerWaalsContact O-N 3.08Å; F520-M523 PolarHBondContact O-N 2.98Å; M523-I526 HydrophobicContact CE-CD1 4.27Å; M523-I526 WeakPolarHBondContact O-CG1 3.49Å; M523-I526 HydrophobicContact SD-CD1 4.04Å; M523-G527 PolarHBondContact O-N 3.29Å; M523-G527 VanDerWaalsContact O-N 3.15Å; M523-I528 PolarHBondContact O-N 2.74Å; M523-I528 HydrophobicContact SD-CD1 3.95Å
524E96.1Very high96.4Very high31 Ų3127.6 Ų27.615%0.14515%0.153CC..Hα-helixtrans-67.3-38.7173.9-71.6-179.2146.600111.6R463 F520 G527 K547 R549R463-E524 HydrophobicContact CB-CB 4.2Å; R463-E524 WeakPolarHBondContact CD-OE2 3.4Å; R463-E524 IonicContact CZ-OE1 3.84Å; R463-E524 IonicContact NH1-OE1 3.99Å; R463-E524 PolarHBondContact NH1-OE1 3.48Å; R463-E524 IonicContact NH1-OE2 2.66Å; F520-E524 WeakPolarHBondContact O-CB 3.23Å; F520-E524 WeakPolarHBondContact O-CG 3.1Å; F520-E524 PolarHBondContact O-N 3.45Å; E524-G527 PolarHBondContact O-N 3.34Å; E524-K547 IonicContact OE1-NZ 2.73Å; E524-K547 PolarHBondContact OE1-NZ 3.38Å; E524-R549 PolarHBondContact O-NE 3.45Å
525L97.5Very high96.6Very high8 Ų824.4 Ų24.44%0.04214%0.141CC..Hα-helixtrans-66.7-46.4-179.8178.860.3000112.5T10 L25 R28 A29 R463 I465 A521 D522 G527T10-L525 HydrophobicContact CG2-CD2 4.14Å; L25-L525 HydrophobicContact CD2-CD1 4.04Å; R28-L525 HydrophobicContact CB-CD1 4.12Å; R28-L525 HydrophobicContact CB-CD2 4.17Å; R28-L525 WeakPolarHBondContact O-CD2 3.44Å; A29-L525 HydrophobicContact CB-CG 4.21Å; R463-L525 WeakPolarHBondContact O-CA 2.89Å; I465-L525 PolarHBondContact N-O 2.9Å; A521-L525 WeakPolarHBondContact O-CB 3.25Å; A521-L525 PolarHBondContact O-N 2.9Å; D522-L525 PolarHBondContact O-N 2.93Å; L525-G527 PolarHBondContact O-N 3.35Å
526I97.7Very high96.6Very high0 Ų019.4 Ų19.40%013%0.126CC..Hα-helixtrans-74.4-15.2177.168.4175.9000112.9L8 T10 A29 W467 L508 D522 M523 I528L8-I526 HydrophobicContact CD1-CD1 4.2Å; L8-I526 HydrophobicContact CD1-CG2 3.91Å; T10-I526 HydrophobicContact CG2-CG2 4.1Å; A29-I526 HydrophobicContact CB-CG2 4.15Å; W467-I526 PolarHBondContact NE1-O 2.98Å; L508-I526 HydrophobicContact CD2-CD1 3.93Å; D522-I526 WeakPolarHBondContact O-CG1 3.43Å; D522-I526 WeakPolarHBondContact O-CG2 3.43Å; D522-I526 PolarHBondContact O-N 2.83Å; M523-I526 HydrophobicContact CE-CD1 4.27Å; M523-I526 WeakPolarHBondContact O-CG1 3.49Å; M523-I526 HydrophobicContact SD-CD1 4.04Å; I526-I528 HydrophobicContact CD1-CD1 3.5Å; I526-I528 VanDerWaalsContact CD1-CD1 3.5Å; I526-I528 HydrophobicContact CD1-CG1 3.81Å; I526-I528 HydrophobicContact CG1-CD1 4.21Å; I526-I528 HydrophobicContact CG1-CG1 3.99Å
527G97.7Very high96.6Very high0 Ų026.4 Ų26.40%015%0.147CC..THydrogen-bonded Turntrans80.332.6169.600000115.9I465 M523 E524 L525 P529I465-G527 WeakPolarHBondContact O-CA 3.22Å; M523-G527 PolarHBondContact O-N 3.29Å; M523-G527 VanDerWaalsContact O-N 3.15Å; E524-G527 PolarHBondContact O-N 3.34Å; L525-G527 PolarHBondContact O-N 3.35Å; G527-P529 WeakPolarHBondContact O-CD 3.44Å
528I97.7Very high96.6Very high0 Ų024.8 Ų24.80%013%0.126CC..  trans-64.7124.9177.8-66.5173.2000110F474 A477 L508 M523 I526 H530F474-I528 HydrophobicContact CB-CD1 3.87Å; F474-I528 HydrophobicContact CB-CG1 4.06Å; F474-I528 HydrophobicContact CB-CG2 4.46Å; F474-I528 HydrophobicContact CD2-CD1 3.98Å; F474-I528 HydrophobicContact CD2-CG1 4.49Å; F474-I528 HydrophobicContact CG-CD1 4.29Å; A477-I528 HydrophobicContact CB-CB 4.13Å; A477-I528 HydrophobicContact CB-CD1 3.86Å; A477-I528 HydrophobicContact CB-CG2 3.81Å; L508-I528 HydrophobicContact CB-CD1 3.86Å; L508-I528 HydrophobicContact CD2-CD1 3.64Å; L508-I528 HydrophobicContact CG-CD1 4.37Å; M523-I528 PolarHBondContact O-N 2.74Å; M523-I528 HydrophobicContact SD-CD1 3.95Å; I526-I528 HydrophobicContact CD1-CD1 3.5Å; I526-I528 VanDerWaalsContact CD1-CD1 3.5Å; I526-I528 HydrophobicContact CD1-CG1 3.81Å; I526-I528 HydrophobicContact CG1-CD1 4.21Å; I526-I528 HydrophobicContact CG1-CG1 3.99Å; I528-H530 PolarHBondContact O-N 3.41Å
529P97.4Very high96.5Very high4 Ų423.2 Ų23.23%0.02612%0.116CC..SBendtrans-64-45.7-170.2-24.833.9000114.3D469 A472 F474 G527 Y548 R549D469-P529 WeakPolarHBondContact OD1-CB 3.42Å; A472-P529 HydrophobicContact CB-CG 3.54Å; F474-P529 VanDerWaalsContact O-CD 3.26Å; F474-P529 WeakPolarHBondContact O-CD 3.47Å; G527-P529 WeakPolarHBondContact O-CD 3.44Å; P529-Y548 HydrophobicContact CB-CD2 4.37Å; P529-Y548 HydrophobicContact CB-CE2 3.88Å; P529-Y548 CarbonylContact O-C 3.52Å; P529-Y548 WeakPolarHBondContact O-CA 3.39Å; P529-Y548 VanDerWaalsContact O-CD2 3.28Å; P529-Y548 WeakPolarHBondContact O-CD2 3.23Å; P529-R549 WeakPolarHBondContact O-CB 3.47Å; P529-R549 PolarHBondContact O-N 2.95Å
530H97.6Very high96.5Very high6 Ų628.5 Ų28.53%0.02815%0.145CC..EExtended strand (participates in β ladder)trans-107.9120-177.3-56.4-89.8000110.1Q475 V476 A477 I528 Y546 Y548 L566Q475-H530 WeakPolarHBondContact O-CB 3.46Å; Q475-H530 PolarHBondContact O-CD2 2.8Å; Q475-H530 VanDerWaalsContact O-CD2 3.32Å; Q475-H530 PolarHBondContact O-N 2.99Å; Q475-H530 VanDerWaalsContact O-N 3.08Å; V476-H530 CarbonylContact C-O 3.57Å; V476-H530 VanDerWaalsContact CA-O 3.25Å; V476-H530 WeakPolarHBondContact CA-O 3.44Å; V476-H530 HydrophobicContact CG2-CB 4.08Å; A477-H530 PolarHBondContact N-O 2.83Å; I528-H530 PolarHBondContact O-N 3.41Å; H530-Y546 HydrophobicContact CB-CE2 4.06Å; H530-Y546 AromaticContact ND1-CE2 3.68Å; H530-Y546 AromaticContact ND1-CZ 3.81Å; H530-Y546 PolarHBondContact ND1-OH 3.39Å; H530-Y548 AromaticContact CE1-CD2 3.75Å; H530-Y548 AromaticContact CE1-CE2 3.81Å; H530-Y548 AromaticContact ND1-CD2 3.94Å; H530-Y548 AromaticContact NE2-CE2 3.97Å; H530-L566 HydrophobicContact CB-CD2 3.83Å
531T97.9Very high96.4Very high14 Ų1430.7 Ų30.79%0.08616%0.159CC..EExtended strand (participates in β ladder)trans-114.9129.5176.6-64.40000109.6L479 V533 Y546 K547L479-T531 HydrophobicContact CD1-CG2 3.62Å; L479-T531 HydrophobicContact CD2-CG2 4.17Å; L479-T531 HydrophobicContact CG-CG2 4.47Å; T531-V533 HydrophobicContact CG2-CG2 4.22Å; T531-Y546 WeakPolarHBondContact O-CA 3.21Å; T531-K547 PolarHBondContact N-O 3.26Å; T531-K547 PolarHBondContact O-N 2.75Å
532I97.9Very high96.4Very high0 Ų032.1 Ų32.10%016%0.16CC..EExtended strand (participates in β ladder)trans-117133.7169.663.6175.4000110.5V476 A477 I478 L479 L496 L500 I544 E545 Y546 I562 L566V476-I532 HydrophobicContact CG1-CG1 4.39Å; A477-I532 PolarHBondContact O-N 3Å; I478-I532 HydrophobicContact CB-CG1 4.21Å; I478-I532 HydrophobicContact CD1-CD1 4.24Å; I478-I532 HydrophobicContact CG1-CD1 3.86Å; I478-I532 HydrophobicContact CG1-CG1 3.89Å; I478-I532 HydrophobicContact CG2-CD1 4.36Å; I478-I532 HydrophobicContact CG2-CG1 4.2Å; L479-I532 PolarHBondContact N-O 3.01Å; L496-I532 HydrophobicContact CD1-CD1 4Å; L500-I532 HydrophobicContact CD1-CD1 4.5Å; I532-I544 HydrophobicContact CB-CG2 3.91Å; I532-I544 HydrophobicContact CG2-CG2 4.34Å; I532-E545 CarbonylContact C-O 3.2Å; I532-E545 WeakPolarHBondContact CA-O 3.47Å; I532-Y546 HydrophobicContact CG2-CD2 4.18Å; I532-I562 HydrophobicContact CG2-CD1 3.9Å; I532-I562 HydrophobicContact CG2-CG1 4.09Å; I532-L566 HydrophobicContact CD1-CD1 4.38Å; I532-L566 HydrophobicContact CG2-CD1 3.98Å
533V97.8Very high96.4Very high9 Ų932.5 Ų32.56%0.05516%0.162CC..EExtended strand (participates in β ladder)trans-114.9122-176.3-1720000108.9M481 F520 T531 E545M481-V533 HydrophobicContact CE-CG1 4.28Å; M481-V533 HydrophobicContact CG-CG1 3.78Å; M481-V533 HydrophobicContact SD-CG1 4.24Å; F520-V533 HydrophobicContact CE1-CG1 4.24Å; F520-V533 HydrophobicContact CE1-CG2 3.61Å; F520-V533 HydrophobicContact CZ-CG1 3.91Å; F520-V533 HydrophobicContact CZ-CG2 4.11Å; T531-V533 HydrophobicContact CG2-CG2 4.22Å; V533-E545 HydrophobicContact CB-CB 4.18Å; V533-E545 PolarHBondContact N-O 2.72Å; V533-E545 PolarHBondContact O-N 2.78Å
534L97.6Very high96.5Very high0 Ų032.4 Ų32.40%016%0.162CC..EExtended strand (participates in β ladder)trans-107.2117.4-179.4-46.7177000108.2I478 L479 M481 V489 L492 A493 L496 I544I478-L534 HydrophobicContact CG2-CD1 3.68Å; I478-L534 HydrophobicContact CG2-CG 4.22Å; L479-L534 PolarHBondContact O-N 2.95Å; M481-L534 VanDerWaalsContact CB-O 3.29Å; M481-L534 WeakPolarHBondContact CB-O 3.45Å; M481-L534 WeakPolarHBondContact CG-O 3.25Å; M481-L534 PolarHBondContact N-O 3.41Å; V489-L534 HydrophobicContact CG1-CB 4.12Å; L492-L534 HydrophobicContact CD2-CD2 4.14Å; L492-L534 HydrophobicContact CG-CD1 4.34Å; A493-L534 VanDerWaalsContact CA-CD1 3.49Å; A493-L534 HydrophobicContact CB-CD1 3.65Å; L496-L534 HydrophobicContact CD1-CD1 4.16Å; L496-L534 HydrophobicContact CD1-CD2 3.84Å; L534-I544 HydrophobicContact CD2-CB 4.39Å; L534-I544 HydrophobicContact CD2-CD1 3.71Å; L534-I544 HydrophobicContact CD2-CG1 3.72Å; L534-I544 HydrophobicContact CD2-CG2 3.84Å
535G95.4Very high96.5Very high12 Ų1232.5 Ų32.512%0.12416%0.162CC..  trans-148.5143.4177.800000111.2R537 N538 L539G535-R537 PolarHBondContact O-N 2.91Å; G535-R537 VanDerWaalsContact O-N 3.09Å; G535-N538 PolarHBondContact O-N 2.96Å; G535-L539 WeakPolarHBondContact O-CG 3.1Å; G535-L539 PolarHBondContact O-N 2.86Å; G535-L539 VanDerWaalsContact O-N 3.11Å
536D94.1Very high96.6Very high61 Ų6132.5 Ų32.533%0.32616%0.162SC..Hα-helixtrans-49.9-43-171.2-66.1-64000112.8S486 N538 L539 D540S486-D536 WeakPolarHBondContact CB-OD1 3.44Å; S486-D536 WeakPolarHBondContact CB-OD2 3.31Å; S486-D536 PolarHBondContact OG-OD1 3.05Å; S486-D536 PolarHBondContact OG-OD2 3.23Å; D536-N538 VanDerWaalsContact C-N 3.34Å; D536-N538 PolarHBondContact O-N 2.68Å; D536-L539 CarbonylContact O-C 3.57Å; D536-L539 PolarHBondContact O-N 3.46Å; D536-L539 VanDerWaalsContact O-N 3.13Å; D536-D540 PolarHBondContact O-N 3.28Å
537R93.9Very high96.5Very high193 Ų19333.7 Ų33.773%0.72817%0.167SC*.Hα-helixtrans-57.9-41-179.8-167.2-173.380.1171.44.9114G535G535-R537 PolarHBondContact O-N 2.91Å; G535-R537 VanDerWaalsContact O-N 3.09Å
538N94.3Very high96.4Very high19 Ų1935.7 Ų35.710%0.10217%0.174CC..Hα-helixtrans-78.6-36.3179.6-67.3-6000109.8G535 D536 D540 N541 D542 D543G535-N538 PolarHBondContact O-N 2.96Å; D536-N538 VanDerWaalsContact C-N 3.34Å; D536-N538 PolarHBondContact O-N 2.68Å; N538-D540 PolarHBondContact O-N 3.14Å; N538-N541 PolarHBondContact O-N 3.34Å; N538-D542 PolarHBondContact O-N 3.37Å; N538-D543 CarbonylContact C-O 3.57Å; N538-D543 HydrophobicContact CB-CB 4.48Å; N538-D543 VanDerWaalsContact CB-O 3.31Å; N538-D543 WeakPolarHBondContact CB-O 3.29Å; N538-D543 PolarHBondContact O-N 3.34Å
539L94.6Very high96.3Very high2 Ų236.3 Ų36.31%0.0118%0.177CC..Hα-helixtrans-62.9-31.6175.8-62.5-179.7000111.8R488 V489 L492 G535 D536 N541 D542 D543 I544R488-L539 HydrophobicContact CG-CD1 4.24Å; R488-L539 VanDerWaalsContact CZ-CB 3.4Å; R488-L539 PolarHBondContact NH1-O 3.04Å; R488-L539 PolarHBondContact NH2-O 3.37Å; V489-L539 HydrophobicContact CG2-CD1 3.79Å; L492-L539 HydrophobicContact CD2-CD1 4.04Å; L492-L539 HydrophobicContact CD2-CD2 3.35Å; L492-L539 HydrophobicContact CD2-CG 4.35Å; G535-L539 WeakPolarHBondContact O-CG 3.1Å; G535-L539 PolarHBondContact O-N 2.86Å; G535-L539 VanDerWaalsContact O-N 3.11Å; D536-L539 CarbonylContact O-C 3.57Å; D536-L539 PolarHBondContact O-N 3.46Å; D536-L539 VanDerWaalsContact O-N 3.13Å; L539-N541 PolarHBondContact O-N 2.93Å; L539-D542 WeakPolarHBondContact O-CA 3.21Å; L539-D542 PolarHBondContact O-N 3.23Å; L539-D543 PolarHBondContact N-O 3.49Å; L539-I544 HydrophobicContact CD2-CG1 4.34Å
540D95Very high96Very high114 Ų11442.1 Ų42.161%0.6120%0.198SC*.THydrogen-bonded Turntrans-55.4-25.3173.2-66.4-23000113.3R488 D536 N538R488-D540 IonicContact NH1-OD1 2.85Å; R488-D540 PolarHBondContact NH1-OD1 2.82Å; D536-D540 PolarHBondContact O-N 3.28Å; N538-D540 PolarHBondContact O-N 3.14Å
541N94.8Very high95.6Very high107 Ų10745.9 Ų45.957%0.57222%0.218SC*.THydrogen-bonded Turntrans-103.111.4175-59.3-56000113.7N538 L539 D543 K558N538-N541 PolarHBondContact O-N 3.34Å; L539-N541 PolarHBondContact O-N 2.93Å; N541-D543 VanDerWaalsContact C-N 3.26Å; N541-D543 WeakPolarHBondContact CB-OD2 3.2Å; N541-D543 PolarHBondContact O-N 2.93Å; N541-K558 PolarHBondContact O-NZ 3.21Å
542D95.6Very high95Very high79 Ų7946.9 Ų46.942%0.42223%0.231SC..THydrogen-bonded Turntrans58.434-172.4-165.237.5000113.9N538 L539 K558 T559N538-D542 PolarHBondContact O-N 3.37Å; L539-D542 WeakPolarHBondContact O-CA 3.21Å; L539-D542 PolarHBondContact O-N 3.23Å; D542-K558 WeakPolarHBondContact O-CA 3.42Å; D542-K558 WeakPolarHBondContact O-CD 3.45Å; D542-T559 PolarHBondContact O-N 2.94Å; D542-T559 PolarHBondContact O-OG1 3.49Å; D542-T559 WeakPolarHBondContact OD1-CB 3.24Å; D542-T559 PolarHBondContact OD1-OG1 2.71Å
543D97.5Very high94.5Very high22 Ų2252.2 Ų52.212%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-114.7147.6-178.1-64-41.3000112.6N538 L539 N541 L556 I557 K558N538-D543 CarbonylContact C-O 3.57Å; N538-D543 HydrophobicContact CB-CB 4.48Å; N538-D543 VanDerWaalsContact CB-O 3.31Å; N538-D543 WeakPolarHBondContact CB-O 3.29Å; N538-D543 PolarHBondContact O-N 3.34Å; L539-D543 PolarHBondContact N-O 3.49Å; N541-D543 VanDerWaalsContact C-N 3.26Å; N541-D543 WeakPolarHBondContact CB-OD2 3.2Å; N541-D543 PolarHBondContact O-N 2.93Å; D543-L556 HydrophobicContact CB-CB 4.21Å; D543-L556 HydrophobicContact CB-CD2 4.2Å; D543-I557 WeakPolarHBondContact CA-O 3.49Å; D543-K558 WeakPolarHBondContact OD1-CD 3.36Å; D543-K558 WeakPolarHBondContact OD1-CE 3.16Å; D543-K558 IonicContact OD1-NZ 2.71Å; D543-K558 PolarHBondContact OD1-NZ 3.07Å; D543-K558 IonicContact OD2-NZ 3.59Å
544I97.7Very high94.4Very high0 Ų058.1 Ų58.10%028%0.282CS..EExtended strand (participates in β ladder)trans-115.5134.8167.4-67.7172.1000108L492 L496 I532 L534 L539 Y546 L556 I557 T559 I562L492-I544 HydrophobicContact CD2-CD1 4.27Å; L496-I544 HydrophobicContact CD1-CD1 3.73Å; I532-I544 HydrophobicContact CB-CG2 3.91Å; I532-I544 HydrophobicContact CG2-CG2 4.34Å; L534-I544 HydrophobicContact CD2-CB 4.39Å; L534-I544 HydrophobicContact CD2-CD1 3.71Å; L534-I544 HydrophobicContact CD2-CG1 3.72Å; L534-I544 HydrophobicContact CD2-CG2 3.84Å; L539-I544 HydrophobicContact CD2-CG1 4.34Å; I544-Y546 PolarHBondContact O-N 3.47Å; I544-L556 WeakPolarHBondContact O-CA 3.27Å; I544-I557 PolarHBondContact N-O 2.9Å; I544-I557 PolarHBondContact O-N 2.92Å; I544-T559 HydrophobicContact CD1-CG2 4.07Å; I544-I562 HydrophobicContact CD1-CB 4.11Å; I544-I562 HydrophobicContact CD1-CG1 4.28Å; I544-I562 HydrophobicContact CD1-CG2 3.75Å; I544-I562 HydrophobicContact CG2-CD1 4.42Å; I544-I562 HydrophobicContact CG2-CG1 4.32Å
545E97.8Very high94.3Very high33 Ų3361.6 Ų61.615%0.15430%0.298CS..EExtended strand (participates in β ladder)trans-81.3120172.3175179.2144.100109.2I532 V533 K554 Q555 L556I532-E545 CarbonylContact C-O 3.2Å; I532-E545 WeakPolarHBondContact CA-O 3.47Å; V533-E545 HydrophobicContact CB-CB 4.18Å; V533-E545 PolarHBondContact N-O 2.72Å; V533-E545 PolarHBondContact O-N 2.78Å; E545-K554 WeakPolarHBondContact OE1-CD 3.15Å; E545-K554 VanDerWaalsContact OE1-CE 3.3Å; E545-K554 WeakPolarHBondContact OE1-CE 3.43Å; E545-K554 IonicContact OE1-NZ 3.2Å; E545-K554 PolarHBondContact OE1-NZ 3.05Å; E545-Q555 WeakPolarHBondContact CA-O 3.16Å; E545-L556 HydrophobicContact CB-CD2 4.12Å
546Y97.7Very high94.4Very high8 Ų865.9 Ų65.93%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-105.3142.1173.9165.5-106.5000110.1H530 T531 I532 I544 Y548 K554 Q555 I557 Y565 L566H530-Y546 HydrophobicContact CB-CE2 4.06Å; H530-Y546 AromaticContact ND1-CE2 3.68Å; H530-Y546 AromaticContact ND1-CZ 3.81Å; H530-Y546 PolarHBondContact ND1-OH 3.39Å; T531-Y546 WeakPolarHBondContact O-CA 3.21Å; I532-Y546 HydrophobicContact CG2-CD2 4.18Å; I544-Y546 PolarHBondContact O-N 3.47Å; Y546-Y548 WeakPolarHBondContact OH-CB 3.13Å; Y546-K554 WeakPolarHBondContact O-CA 3.32Å; Y546-Q555 HydrophobicContact CD1-CB 4.27Å; Y546-Q555 PolarHBondContact N-O 2.91Å; Y546-Q555 PolarHBondContact O-N 3.23Å; Y546-I557 HydrophobicContact CD1-CD1 3.9Å; Y546-I557 HydrophobicContact CG-CD1 3.83Å; Y546-Y565 AromaticContact CD1-CE1 3.78Å; Y546-Y565 HydrophobicContact CD1-CE1 3.78Å; Y546-Y565 HydrophobicContact CD2-CE1 4.49Å; Y546-Y565 AromaticContact CE1-CE1 3.58Å; Y546-Y565 HydrophobicContact CE1-CE1 3.58Å; Y546-Y565 HydrophobicContact CE2-CE1 4.33Å; Y546-Y565 HydrophobicContact CG-CE1 4.23Å; Y546-Y565 AromaticContact CZ-CE1 3.87Å; Y546-L566 HydrophobicContact CD2-CD2 4.1Å; Y546-L566 HydrophobicContact CE2-CD2 3.84Å
547K96.6Very high94.5Very high25 Ų2563.9 Ų63.911%0.10931%0.306CS..EExtended strand (participates in β ladder)trans-137.5133.2172.3-177.5-178.2177.4-178.20110.4E524 T531 E553E524-K547 IonicContact OE1-NZ 2.73Å; E524-K547 PolarHBondContact OE1-NZ 3.38Å; T531-K547 PolarHBondContact N-O 3.26Å; T531-K547 PolarHBondContact O-N 2.75Å; K547-E553 WeakPolarHBondContact CA-O 3.32Å
548Y95.5Very high94.7Very high41 Ų4159 Ų5916%0.16129%0.29CS..EExtended strand (participates in β ladder)trans-95.1129.7166.4-173.3-132.8000110.2D469 P529 H530 Y546 R550 N551 G552D469-Y548 PolarHBondContact OD1-OH 3.47Å; D469-Y548 PolarHBondContact OD2-OH 2.89Å; P529-Y548 HydrophobicContact CB-CD2 4.37Å; P529-Y548 HydrophobicContact CB-CE2 3.88Å; P529-Y548 CarbonylContact O-C 3.52Å; P529-Y548 WeakPolarHBondContact O-CA 3.39Å; P529-Y548 VanDerWaalsContact O-CD2 3.28Å; P529-Y548 WeakPolarHBondContact O-CD2 3.23Å; H530-Y548 AromaticContact CE1-CD2 3.75Å; H530-Y548 AromaticContact CE1-CE2 3.81Å; H530-Y548 AromaticContact ND1-CD2 3.94Å; H530-Y548 AromaticContact NE2-CE2 3.97Å; Y546-Y548 WeakPolarHBondContact OH-CB 3.13Å; Y548-R550 VanDerWaalsContact C-N 3.28Å; Y548-R550 HydrophobicContact CD1-CB 4.01Å; Y548-R550 HydrophobicContact CE1-CB 3.54Å; Y548-R550 HydrophobicContact CE1-CG 4.46Å; Y548-R550 PolarHBondContact O-N 3.29Å; Y548-N551 WeakPolarHBondContact CB-OD1 3.29Å; Y548-N551 HydrophobicContact CD1-CB 4.48Å; Y548-N551 PolarHBondContact O-OD1 3.08Å; Y548-G552 WeakPolarHBondContact O-CA 3.14Å; Y548-G552 PolarHBondContact O-N 3.43Å
549R95.7Very high94.7Very high14 Ų1459.3 Ų59.35%0.05329%0.293CS..THydrogen-bonded Turntrans-61.9-34.7-171.7179.661.7-171.985.9-1.8113.1D461 I465 E524 P529D461-R549 IonicContact OD1-CZ 3.67Å; D461-R549 IonicContact OD1-NH1 3.28Å; D461-R549 IonicContact OD1-NH2 2.92Å; D461-R549 PolarHBondContact OD1-NH2 3.2Å; D461-R549 IonicContact OD2-CZ 3.9Å; D461-R549 VanDerWaalsContact OD2-CZ 3.28Å; D461-R549 IonicContact OD2-NH1 3.85Å; D461-R549 PolarHBondContact OD2-NH1 3Å; D461-R549 IonicContact OD2-NH2 3.43Å; D461-R549 PolarHBondContact OD2-NH2 2.95Å; I465-R549 PolarHBondContact O-NE 3.04Å; E524-R549 PolarHBondContact O-NE 3.45Å; P529-R549 WeakPolarHBondContact O-CB 3.47Å; P529-R549 PolarHBondContact O-N 2.95Å
550R91.8Very high94.8Very high126 Ų12662.3 Ų62.348%0.47533%0.325SS..THydrogen-bonded Turntrans-79.2-39.6-172.4-170.5-179.6-74-145-9.2113.4V466 W467 Y548V466-R550 HydrophobicContact CG1-CB 4.06Å; V466-R550 HydrophobicContact CG1-CG 4.08Å; W467-R550 PolarHBondContact O-NH2 3.32Å; Y548-R550 VanDerWaalsContact C-N 3.28Å; Y548-R550 HydrophobicContact CD1-CB 4.01Å; Y548-R550 HydrophobicContact CE1-CB 3.54Å; Y548-R550 HydrophobicContact CE1-CG 4.46Å; Y548-R550 PolarHBondContact O-N 3.29Å
551N89.1Confident94.9Very high84 Ų8461.2 Ų61.245%0.44932%0.319SS..THydrogen-bonded Turntrans-93.3-19.6176.772.11.9000112.8Y548 E553Y548-N551 WeakPolarHBondContact CB-OD1 3.29Å; Y548-N551 HydrophobicContact CD1-CB 4.48Å; Y548-N551 PolarHBondContact O-OD1 3.08Å; N551-E553 HydrophobicContact CB-CG 4.33Å; N551-E553 PolarHBondContact O-N 3.38Å; N551-E553 PolarHBondContact OD1-N 3.42Å
552G85.3Confident95Very high35 Ų3556.1 Ų56.136%0.36129%0.291SS..  trans72-0-178.800000115Y548Y548-G552 WeakPolarHBondContact O-CA 3.14Å; Y548-G552 PolarHBondContact O-N 3.43Å
553E87.5Confident95.1Very high112 Ų11253.6 Ų53.652%0.52328%0.279SS..  trans-72.4138.4-175.6-66.4-173.6167.200111.4K547 N551K547-E553 WeakPolarHBondContact CA-O 3.32Å; N551-E553 HydrophobicContact CB-CG 4.33Å; N551-E553 PolarHBondContact O-N 3.38Å; N551-E553 PolarHBondContact OD1-N 3.42Å
554K94.3Very high95Very high134 Ų13459.7 Ų59.758%0.58331%0.307SS*.EExtended strand (participates in β ladder)trans-100.7135175.8-64.9-177.9172.2-144.50109.8E545 Y546E545-K554 WeakPolarHBondContact OE1-CD 3.15Å; E545-K554 VanDerWaalsContact OE1-CE 3.3Å; E545-K554 WeakPolarHBondContact OE1-CE 3.43Å; E545-K554 IonicContact OE1-NZ 3.2Å; E545-K554 PolarHBondContact OE1-NZ 3.05Å; Y546-K554 WeakPolarHBondContact O-CA 3.32Å
555Q96Very high95Very high72 Ų7262.6 Ų62.634%0.33632%0.318SS..EExtended strand (participates in β ladder)trans-132.6145.2176.7-60.5177.9-11.600109.4E545 Y546 Y565E545-Q555 WeakPolarHBondContact CA-O 3.16Å; Y546-Q555 HydrophobicContact CD1-CB 4.27Å; Y546-Q555 PolarHBondContact N-O 2.91Å; Y546-Q555 PolarHBondContact O-N 3.23Å; Q555-Y565 PolarHBondContact OE1-OH 3.17Å; Q555-Y565 VanDerWaalsContact OE1-OH 3.05Å
556L97Very high95Very high103 Ų10361 Ų6154%0.53931%0.311SS..EExtended strand (participates in β ladder)trans-96.3123.7169.1-67.2175.2000107.8D543 I544 E545D543-L556 HydrophobicContact CB-CB 4.21Å; D543-L556 HydrophobicContact CB-CD2 4.2Å; I544-L556 WeakPolarHBondContact O-CA 3.27Å; E545-L556 HydrophobicContact CB-CD2 4.12Å
557I97.4Very high94.9Very high18 Ų1862.2 Ų62.29%0.09232%0.319CS..EExtended strand (participates in β ladder)trans-121.1138-178.8-57-179.5000107.6D543 I544 Y546 D561 I562 Y565D543-I557 WeakPolarHBondContact CA-O 3.49Å; I544-I557 PolarHBondContact N-O 2.9Å; I544-I557 PolarHBondContact O-N 2.92Å; Y546-I557 HydrophobicContact CD1-CD1 3.9Å; Y546-I557 HydrophobicContact CG-CD1 3.83Å; I557-D561 HydrophobicContact CG2-CB 4.24Å; I557-I562 HydrophobicContact CB-CD1 4.01Å; I557-I562 HydrophobicContact CD1-CD1 3.81Å; I557-I562 HydrophobicContact CG1-CD1 4.44Å; I557-I562 HydrophobicContact CG2-CB 4.34Å; I557-I562 HydrophobicContact CG2-CD1 4.02Å; I557-Y565 HydrophobicContact CD1-CD1 3.32Å; I557-Y565 HydrophobicContact CD1-CD2 4.07Å; I557-Y565 HydrophobicContact CD1-CE1 3.39Å; I557-Y565 HydrophobicContact CD1-CE2 4.14Å; I557-Y565 HydrophobicContact CD1-CG 3.68Å
558K97.8Very high94.9Very high90 Ų9067.8 Ų67.839%0.39134%0.343SS..EExtended strand (participates in β ladder)trans-60.7140.7178.8-68.7-66.4173.4-151.90111.1N541 D542 D543 G560 D561 I562N541-K558 PolarHBondContact O-NZ 3.21Å; D542-K558 WeakPolarHBondContact O-CA 3.42Å; D542-K558 WeakPolarHBondContact O-CD 3.45Å; D543-K558 WeakPolarHBondContact OD1-CD 3.36Å; D543-K558 WeakPolarHBondContact OD1-CE 3.16Å; D543-K558 IonicContact OD1-NZ 2.71Å; D543-K558 PolarHBondContact OD1-NZ 3.07Å; D543-K558 IonicContact OD2-NZ 3.59Å; K558-G560 PolarHBondContact O-N 3.39Å; K558-G560 VanDerWaalsContact O-N 3.13Å; K558-D561 HydrophobicContact CB-CB 4.46Å; K558-D561 PolarHBondContact O-N 2.95Å; K558-I562 PolarHBondContact O-N 3.21Å
559T95.1Very high94.8Very high26 Ų2670.1 Ų70.116%0.1636%0.355CS..THydrogen-bonded Turntrans-53.1-37.9-177.9-49.50000112L492 D542 I544 D561 I562L492-T559 HydrophobicContact CD1-CG2 3.64Å; L492-T559 HydrophobicContact CD2-CG2 3.91Å; L492-T559 HydrophobicContact CG-CG2 4.44Å; D542-T559 PolarHBondContact O-N 2.94Å; D542-T559 PolarHBondContact O-OG1 3.49Å; D542-T559 WeakPolarHBondContact OD1-CB 3.24Å; D542-T559 PolarHBondContact OD1-OG1 2.71Å; I544-T559 HydrophobicContact CD1-CG2 4.07Å; T559-D561 VanDerWaalsContact C-N 3.34Å; T559-D561 PolarHBondContact O-N 2.96Å; T559-I562 WeakPolarHBondContact O-CG2 3.45Å
560G95.1Very high94.8Very high66 Ų6671 Ų7168%0.6836%0.361SS*.THydrogen-bonded Turntrans-68.6-27178.400000114.8K558K558-G560 PolarHBondContact O-N 3.39Å; K558-G560 VanDerWaalsContact O-N 3.13Å
561D97.2Very high94.7Very high90 Ų9070.8 Ų70.848%0.48136%0.363SS..THydrogen-bonded Turntrans-99.6-14.9-170.2-57.8-23.8000112.6I557 K558 T559 V563 E564 Y565I557-D561 HydrophobicContact CG2-CB 4.24Å; K558-D561 HydrophobicContact CB-CB 4.46Å; K558-D561 PolarHBondContact O-N 2.95Å; T559-D561 VanDerWaalsContact C-N 3.34Å; T559-D561 PolarHBondContact O-N 2.96Å; D561-V563 VanDerWaalsContact C-N 3.28Å; D561-V563 PolarHBondContact O-N 3.2Å; D561-E564 PolarHBondContact O-N 3.02Å; D561-Y565 WeakPolarHBondContact O-CB 3.27Å; D561-Y565 PolarHBondContact O-N 2.98Å
562I97.3Very high94.3Very high0 Ų072 Ų720%040%0.396CS..Hα-helixtrans-59.4-36.1-170.3-16958000113.4L496 I532 I544 I557 K558 T559 L566L496-I562 HydrophobicContact CD1-CG2 4.39Å; L496-I562 HydrophobicContact CD2-CG2 3.57Å; I532-I562 HydrophobicContact CG2-CD1 3.9Å; I532-I562 HydrophobicContact CG2-CG1 4.09Å; I544-I562 HydrophobicContact CD1-CB 4.11Å; I544-I562 HydrophobicContact CD1-CG1 4.28Å; I544-I562 HydrophobicContact CD1-CG2 3.75Å; I544-I562 HydrophobicContact CG2-CD1 4.42Å; I544-I562 HydrophobicContact CG2-CG1 4.32Å; I557-I562 HydrophobicContact CB-CD1 4.01Å; I557-I562 HydrophobicContact CD1-CD1 3.81Å; I557-I562 HydrophobicContact CG1-CD1 4.44Å; I557-I562 HydrophobicContact CG2-CB 4.34Å; I557-I562 HydrophobicContact CG2-CD1 4.02Å; K558-I562 PolarHBondContact O-N 3.21Å; T559-I562 WeakPolarHBondContact O-CG2 3.45Å; I562-L566 HydrophobicContact CD1-CD1 4.39Å; I562-L566 HydrophobicContact CD1-CG 4.31Å; I562-L566 HydrophobicContact CG1-CD1 4.12Å; I562-L566 HydrophobicContact CG1-CG 4.47Å; I562-L566 WeakPolarHBondContact O-CB 3.4Å; I562-L566 WeakPolarHBondContact O-CG 3.37Å; I562-L566 PolarHBondContact O-N 3.4Å
563V97.2Very high94.7Very high27 Ų2773.9 Ų73.916%0.16440%0.397CS..Hα-helixtrans-69.6-49.6-178.2176.20000110L496 E499 L500 D561 Y565 L566 V567L496-V563 HydrophobicContact CD2-CG2 3.68Å; E499-V563 HydrophobicContact CB-CG2 4.33Å; L500-V563 HydrophobicContact CD2-CG1 4.26Å; D561-V563 VanDerWaalsContact C-N 3.28Å; D561-V563 PolarHBondContact O-N 3.2Å; V563-Y565 VanDerWaalsContact C-N 3.31Å; V563-Y565 PolarHBondContact O-N 2.93Å; V563-L566 PolarHBondContact O-N 3.25Å; V563-V567 HydrophobicContact CG1-CG2 4.46Å; V563-V567 VanDerWaalsContact O-CG2 3.24Å; V563-V567 WeakPolarHBondContact O-CG2 3.34Å; V563-V567 PolarHBondContact O-N 2.89Å
564E97.1Very high95.1Very high149 Ų14971.8 Ų71.870%0.69639%0.391SS*.Hα-helixtrans-61-43.4177.1-175.1178.5171.200110.9D561 L566 V567 K568D561-E564 PolarHBondContact O-N 3.02Å; E564-L566 PolarHBondContact O-N 2.81Å; E564-V567 PolarHBondContact O-N 3.1Å; E564-K568 WeakPolarHBondContact O-CB 3.49Å; E564-K568 PolarHBondContact O-N 3.36Å
565Y97Very high95.1Very high62 Ų6268.4 Ų68.424%0.24338%0.38CS..Hα-helixtrans-57-51.3176.2-177.1-91.3000111.9Y546 Q555 I557 D561 V563 V567 K568 Q569Y546-Y565 AromaticContact CD1-CE1 3.78Å; Y546-Y565 HydrophobicContact CD1-CE1 3.78Å; Y546-Y565 HydrophobicContact CD2-CE1 4.49Å; Y546-Y565 AromaticContact CE1-CE1 3.58Å; Y546-Y565 HydrophobicContact CE1-CE1 3.58Å; Y546-Y565 HydrophobicContact CE2-CE1 4.33Å; Y546-Y565 HydrophobicContact CG-CE1 4.23Å; Y546-Y565 AromaticContact CZ-CE1 3.87Å; Q555-Y565 PolarHBondContact OE1-OH 3.17Å; Q555-Y565 VanDerWaalsContact OE1-OH 3.05Å; I557-Y565 HydrophobicContact CD1-CD1 3.32Å; I557-Y565 HydrophobicContact CD1-CD2 4.07Å; I557-Y565 HydrophobicContact CD1-CE1 3.39Å; I557-Y565 HydrophobicContact CD1-CE2 4.14Å; I557-Y565 HydrophobicContact CD1-CG 3.68Å; D561-Y565 WeakPolarHBondContact O-CB 3.27Å; D561-Y565 PolarHBondContact O-N 2.98Å; V563-Y565 VanDerWaalsContact C-N 3.31Å; V563-Y565 PolarHBondContact O-N 2.93Å; Y565-V567 PolarHBondContact O-N 3.28Å; Y565-K568 PolarHBondContact O-N 2.87Å; Y565-Q569 HydrophobicContact CD1-CG 4.02Å; Y565-Q569 HydrophobicContact CE1-CG 3.62Å; Y565-Q569 HydrophobicContact CE2-CG 4.48Å; Y565-Q569 WeakPolarHBondContact O-CG 3.19Å; Y565-Q569 PolarHBondContact O-N 2.79Å
566L97Very high95.1Very high0 Ų068.2 Ų68.20%038%0.383CS..Hα-helixtrans-64.6-40.1179.5-75.5172.7000112.4V476 L500 H530 I532 Y546 I562 V563 E564 K568 Q569 I570V476-L566 HydrophobicContact CG1-CD1 4.15Å; V476-L566 HydrophobicContact CG2-CD1 4.22Å; V476-L566 HydrophobicContact CG2-CD2 4.35Å; L500-L566 HydrophobicContact CD1-CD1 3.99Å; L500-L566 HydrophobicContact CD2-CB 4.12Å; L500-L566 HydrophobicContact CD2-CD1 3.92Å; H530-L566 HydrophobicContact CB-CD2 3.83Å; I532-L566 HydrophobicContact CD1-CD1 4.38Å; I532-L566 HydrophobicContact CG2-CD1 3.98Å; Y546-L566 HydrophobicContact CD2-CD2 4.1Å; Y546-L566 HydrophobicContact CE2-CD2 3.84Å; I562-L566 HydrophobicContact CD1-CD1 4.39Å; I562-L566 HydrophobicContact CD1-CG 4.31Å; I562-L566 HydrophobicContact CG1-CD1 4.12Å; I562-L566 HydrophobicContact CG1-CG 4.47Å; I562-L566 WeakPolarHBondContact O-CB 3.4Å; I562-L566 WeakPolarHBondContact O-CG 3.37Å; I562-L566 PolarHBondContact O-N 3.4Å; V563-L566 PolarHBondContact O-N 3.25Å; E564-L566 PolarHBondContact O-N 2.81Å; L566-K568 VanDerWaalsContact C-N 3.31Å; L566-K568 PolarHBondContact O-N 3.31Å; L566-Q569 PolarHBondContact O-N 2.73Å; L566-I570 HydrophobicContact CB-CD1 4.47Å; L566-I570 WeakPolarHBondContact O-CB 3.38Å; L566-I570 WeakPolarHBondContact O-CD1 3.49Å; L566-I570 VanDerWaalsContact O-CG1 3.26Å; L566-I570 WeakPolarHBondContact O-CG1 3.3Å; L566-I570 PolarHBondContact O-N 3.39Å
567V96.6Very high95Very high32 Ų3266 Ų6619%0.19437%0.373CS..Hα-helixtrans-58.2-46.9176.3169.40000110.3Q503 I505 V563 E564 Y565 I570 K571Q503-V567 HydrophobicContact CB-CG2 4.16Å; Q503-V567 HydrophobicContact CG-CG2 3.92Å; I505-V567 HydrophobicContact CD1-CG2 3.82Å; V563-V567 HydrophobicContact CG1-CG2 4.46Å; V563-V567 VanDerWaalsContact O-CG2 3.24Å; V563-V567 WeakPolarHBondContact O-CG2 3.34Å; V563-V567 PolarHBondContact O-N 2.89Å; E564-V567 PolarHBondContact O-N 3.1Å; Y565-V567 PolarHBondContact O-N 3.28Å; V567-I570 PolarHBondContact O-N 2.79Å; V567-K571 HydrophobicContact CG1-CD 4.24Å; V567-K571 WeakPolarHBondContact O-CB 3.3Å; V567-K571 PolarHBondContact O-N 3.16Å
568K96Very high94.8Very high143 Ų14369.2 Ų69.262%0.62239%0.391SS*.Hα-helixtrans-63.5-43.1177.8-176.7178.3179.6178.10112.6E564 Y565 L566 I570 G572E564-K568 WeakPolarHBondContact O-CB 3.49Å; E564-K568 PolarHBondContact O-N 3.36Å; Y565-K568 PolarHBondContact O-N 2.87Å; L566-K568 VanDerWaalsContact C-N 3.31Å; L566-K568 PolarHBondContact O-N 3.31Å; K568-I570 VanDerWaalsContact C-N 3.29Å; K568-I570 PolarHBondContact O-N 3.26Å; K568-G572 PolarHBondContact O-N 2.9Å
569Q94Very high94.6Very high89 Ų8967.7 Ų67.742%0.41639%0.391SS..Hα-helixtrans-64.8-35178.5-68.7-61-32.200112.4Y565 L566Y565-Q569 HydrophobicContact CD1-CG 4.02Å; Y565-Q569 HydrophobicContact CE1-CG 3.62Å; Y565-Q569 HydrophobicContact CE2-CG 4.48Å; Y565-Q569 WeakPolarHBondContact O-CG 3.19Å; Y565-Q569 PolarHBondContact O-N 2.79Å; L566-Q569 PolarHBondContact O-N 2.73Å
570I94.2Very high94.6Very high34 Ų3470.9 Ų70.917%0.17441%0.409CS..Hα-helixtrans-88.2-35.7-173-70.1166.4000112.7Q475 V476 I505 L566 V567 K568Q475-I570 HydrophobicContact CB-CD1 4.09Å; Q475-I570 HydrophobicContact CG-CG2 4.48Å; V476-I570 HydrophobicContact CG2-CD1 3.56Å; I505-I570 HydrophobicContact CD1-CD1 4.12Å; I505-I570 HydrophobicContact CG1-CD1 4.49Å; I505-I570 HydrophobicContact CG2-CD1 3.97Å; L566-I570 HydrophobicContact CB-CD1 4.47Å; L566-I570 WeakPolarHBondContact O-CB 3.38Å; L566-I570 WeakPolarHBondContact O-CD1 3.49Å; L566-I570 VanDerWaalsContact O-CG1 3.26Å; L566-I570 WeakPolarHBondContact O-CG1 3.3Å; L566-I570 PolarHBondContact O-N 3.39Å; V567-I570 PolarHBondContact O-N 2.79Å; K568-I570 VanDerWaalsContact C-N 3.29Å; K568-I570 PolarHBondContact O-N 3.26Å
571K90.2Very high94.5Very high121 Ų12171.3 Ų71.353%0.52639%0.387SS..Hα-helixtrans-102.5-10.7-172.7-63.1-170.2-179.21790114.3Q503 V567Q503-K571 WeakPolarHBondContact O-CE 3.42Å; Q503-K571 PolarHBondContact O-NZ 3.24Å; V567-K571 HydrophobicContact CG1-CD 4.24Å; V567-K571 WeakPolarHBondContact O-CB 3.3Å; V567-K571 PolarHBondContact O-N 3.16Å
572G80.7Confident94.3Very high109 Ų10969.6 Ų69.6100%1.12438%0.378SS*.  trans71.90-162.800000111.2K568K568-G572 PolarHBondContact O-N 2.9Å

Retrieved 572 of 572 residues in 399.9 ms (Link to these results)

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