A0A087YFA1_POEFO Loading...

Regulator of chromosome condensation (RCC1) and BTB (POZ) domain containing protein 1

AlphaFold DB , UniProt , Accession A0A087YFA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 531 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
1M55.6Low86.7Confident160 Ų16054 Ų5479%0.78831%0.306SS*.  0132.50-167.3176.6-67.900106.9H350M1-H350 WeakPolarHBondContact CE-NE2 3.19Å; M1-H350 VanDerWaalsContact SD-CE1 3.52Å
2V73.4Confident86.9Confident42 Ų4257.8 Ų57.826%0.25532%0.324SS..  trans-71.1135.4177.7178.20000108.2L346 M348V2-L346 HydrophobicContact CG1-CD1 3.26Å; V2-L346 HydrophobicContact CG1-CD2 3.54Å; V2-L346 HydrophobicContact CG1-CG 3.38Å; V2-M348 HydrophobicContact CB-SD 4.42Å; V2-M348 HydrophobicContact CG1-SD 3.86Å; V2-M348 WeakPolarHBondContact O-CE 3.3Å
3D81.9Confident87.3Confident56 Ų5654.3 Ų54.330%0.29930%0.304SS..  trans-141.3119.2-171.8-170.3-6.2000112.1T5 K6D3-T5 PolarHBondContact O-N 3.34Å; D3-T5 WeakPolarHBondContact OD1-CB 3.35Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.42Å; D3-T5 PolarHBondContact OD1-N 3.16Å; D3-T5 PolarHBondContact OD1-OG1 3.17Å; D3-T5 PolarHBondContact OD2-OG1 3.46Å; D3-K6 HydrophobicContact CB-CG 4.43Å; D3-K6 PolarHBondContact O-N 3.4Å
4V90.8Very high87.3Confident2 Ų253.2 Ų53.21%0.01231%0.305CS..G310 helixtrans-64.3-23.8174.9-75.20000112.9K6 W7 F10 L18 I21 A24 L346 M348V4-K6 PolarHBondContact O-N 2.82Å; V4-K6 VanDerWaalsContact O-N 3.15Å; V4-W7 WeakPolarHBondContact O-CB 3.43Å; V4-W7 PolarHBondContact O-N 3.05Å; V4-F10 HydrophobicContact CB-CD2 4.28Å; V4-F10 HydrophobicContact CB-CG 4.27Å; V4-L18 HydrophobicContact CG2-CD2 4.12Å; V4-I21 HydrophobicContact CG1-CG2 4.15Å; V4-I21 HydrophobicContact CG2-CD1 4.33Å; V4-A24 HydrophobicContact CG1-CB 3.82Å; V4-L346 HydrophobicContact CG1-CD2 4.19Å; V4-M348 HydrophobicContact CG1-CE 4.29Å; V4-M348 HydrophobicContact CG1-CG 4.1Å; V4-M348 HydrophobicContact CG1-SD 3.76Å; V4-M348 HydrophobicContact CG2-CE 4.05Å
5T90.5Very high87.3Confident71 Ų7156 Ų5644%0.43633%0.326SS..G310 helixtrans-64.9-20.7-178.572.70000113D3 W7 L18D3-T5 PolarHBondContact O-N 3.34Å; D3-T5 WeakPolarHBondContact OD1-CB 3.35Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.42Å; D3-T5 PolarHBondContact OD1-N 3.16Å; D3-T5 PolarHBondContact OD1-OG1 3.17Å; D3-T5 PolarHBondContact OD2-OG1 3.46Å; T5-W7 PolarHBondContact O-N 3.19Å; T5-L18 HydrophobicContact CG2-CD1 3.72Å
6K91.3Very high87.4Confident73 Ų7361.9 Ų61.932%0.31735%0.35SS..G310 helixtrans-70.1-15176.1-65.6-178.9-174.4171.30113.1D3 V4 D331 A334D3-K6 HydrophobicContact CB-CG 4.43Å; D3-K6 PolarHBondContact O-N 3.4Å; V4-K6 PolarHBondContact O-N 2.82Å; V4-K6 VanDerWaalsContact O-N 3.15Å; K6-D331 WeakPolarHBondContact CD-OD1 3.47Å; K6-D331 WeakPolarHBondContact CE-OD1 3.37Å; K6-D331 IonicContact NZ-OD1 2.58Å; K6-D331 PolarHBondContact NZ-OD1 3.07Å; K6-D331 IonicContact NZ-OD2 3.27Å; K6-D331 PolarHBondContact NZ-OD2 3.36Å; K6-A334 HydrophobicContact CB-CB 4.14Å
7W94.6Very high87.4Confident1 Ų163.1 Ų63.10%0.00435%0.352CS..SBendtrans-94.4116.2178.8-62.886.2000109.1V4 T5 I9 F10 V26 F333 A334 S340 V341 M342V4-W7 WeakPolarHBondContact O-CB 3.43Å; V4-W7 PolarHBondContact O-N 3.05Å; T5-W7 PolarHBondContact O-N 3.19Å; W7-I9 PolarHBondContact O-N 2.79Å; W7-F10 HydrophobicContact CB-CD2 3.84Å; W7-F10 HydrophobicContact CB-CE2 4.43Å; W7-F10 PolarHBondContact O-N 3.13Å; W7-V26 HydrophobicContact CB-CG2 4.05Å; W7-V26 HydrophobicContact CD2-CB 4.49Å; W7-V26 HydrophobicContact CD2-CG2 4.21Å; W7-V26 HydrophobicContact CE3-CB 3.86Å; W7-V26 HydrophobicContact CE3-CG1 4.22Å; W7-V26 HydrophobicContact CE3-CG2 4.04Å; W7-V26 HydrophobicContact CG-CG2 4.23Å; W7-V26 HydrophobicContact CZ3-CB 4.36Å; W7-F333 HydrophobicContact CH2-CB 3.85Å; W7-A334 HydrophobicContact CD2-CB 3.93Å; W7-A334 HydrophobicContact CE3-CB 4.28Å; W7-A334 HydrophobicContact CG-CB 4.43Å; W7-A334 HydrophobicContact CH2-CB 4.18Å; W7-A334 HydrophobicContact CZ2-CB 3.81Å; W7-A334 HydrophobicContact CZ3-CB 4.39Å; W7-S340 VanDerWaalsContact CZ3-O 3.29Å; W7-S340 WeakPolarHBondContact CZ3-O 3.48Å; W7-V341 VanDerWaalsContact CZ3-C 3.49Å; W7-M342 HydrophobicContact CD2-CE 3.48Å; W7-M342 VanDerWaalsContact CD2-CE 3.48Å; W7-M342 HydrophobicContact CD2-CG 4.15Å; W7-M342 HydrophobicContact CE3-CE 4.19Å; W7-M342 HydrophobicContact CE3-CG 4.03Å; W7-M342 HydrophobicContact CG-CE 3.66Å; W7-M342 HydrophobicContact CH2-CB 4.11Å; W7-M342 HydrophobicContact CH2-CG 3.27Å; W7-M342 HydrophobicContact CZ2-CE 3.86Å; W7-M342 HydrophobicContact CZ2-CG 3.4Å; W7-M342 HydrophobicContact CZ2-SD 4.39Å; W7-M342 HydrophobicContact CZ3-CB 4.48Å; W7-M342 HydrophobicContact CZ3-CG 3.6Å; W7-M342 VanDerWaalsContact NE1-CE 3.33Å
8P92.8Very high87.6Confident84 Ų8461.2 Ų61.255%0.54534%0.34SS..G310 helixtrans-53.2-33.9-168.5-30.735.8000115.1F10 S11P8-F10 VanDerWaalsContact C-N 3.27Å; P8-F10 PolarHBondContact O-N 3.44Å; P8-S11 WeakPolarHBondContact O-CB 3.42Å; P8-S11 PolarHBondContact O-N 3.4Å; P8-S11 VanDerWaalsContact O-N 3.13Å; P8-S11 PolarHBondContact O-OG 3.38Å
9I94.9Very high87.8Confident9 Ų963.1 Ų63.15%0.04636%0.356CS..G310 helixtrans-61.8-33.3-178.9-160.2-178.9000112.9W7 S11 L12 V26 N32 A34 F46W7-I9 PolarHBondContact O-N 2.79Å; I9-S11 PolarHBondContact O-N 3.16Å; I9-L12 WeakPolarHBondContact O-CB 3.36Å; I9-L12 PolarHBondContact O-N 3.1Å; I9-V26 HydrophobicContact CG2-CG1 4.2Å; I9-V26 HydrophobicContact CG2-CG2 3.68Å; I9-N32 WeakPolarHBondContact CD1-O 3.27Å; I9-A34 HydrophobicContact CD1-CB 3.77Å; I9-A34 HydrophobicContact CG2-CB 4.01Å; I9-F46 HydrophobicContact CD1-CD2 4.37Å; I9-F46 HydrophobicContact CD1-CE2 4.11Å; I9-F46 HydrophobicContact CD1-CZ 4.44Å; I9-F46 HydrophobicContact CG1-CD2 4.29Å; I9-F46 HydrophobicContact CG1-CE2 3.69Å; I9-F46 HydrophobicContact CG1-CZ 4.17Å; I9-F46 HydrophobicContact CG2-CZ 4.43Å; I9-F46 WeakPolarHBondContact O-CE2 3.41Å
10F95.1Very high88Confident1 Ų162 Ų620%0.00435%0.353CS..G310 helixtrans-75.4-9179.5-72-79.9000113.4V4 W7 P8 L12 M13 L18 I21 A24 V26 A34 Y36 F46V4-F10 HydrophobicContact CB-CD2 4.28Å; V4-F10 HydrophobicContact CB-CG 4.27Å; W7-F10 HydrophobicContact CB-CD2 3.84Å; W7-F10 HydrophobicContact CB-CE2 4.43Å; W7-F10 PolarHBondContact O-N 3.13Å; P8-F10 VanDerWaalsContact C-N 3.27Å; P8-F10 PolarHBondContact O-N 3.44Å; F10-L12 PolarHBondContact O-N 3.14Å; F10-M13 HydrophobicContact CD1-SD 3.52Å; F10-M13 VanDerWaalsContact CD1-SD 3.52Å; F10-M13 HydrophobicContact CE1-SD 3.91Å; F10-M13 PolarHBondContact O-N 3.17Å; F10-M13 VanDerWaalsContact O-N 3.14Å; F10-L18 HydrophobicContact CB-CD2 4.2Å; F10-L18 HydrophobicContact CD1-CD2 4.35Å; F10-I21 HydrophobicContact CD1-CD1 3.82Å; F10-I21 HydrophobicContact CE1-CD1 3.7Å; F10-A24 HydrophobicContact CE1-CB 4.45Å; F10-A24 HydrophobicContact CE2-CB 4.01Å; F10-A24 HydrophobicContact CZ-CB 3.56Å; F10-V26 HydrophobicContact CD2-CG2 4.16Å; F10-V26 HydrophobicContact CE2-CG2 3.54Å; F10-A34 HydrophobicContact CE2-CB 4.36Å; F10-A34 HydrophobicContact CZ-CB 4.03Å; F10-Y36 HydrophobicContact CE1-CD1 4.08Å; F10-Y36 HydrophobicContact CE1-CG 4.33Å; F10-F46 HydrophobicContact CD1-CE1 4.22Å; F10-F46 AromaticContact CD1-CZ 3.86Å; F10-F46 HydrophobicContact CD1-CZ 3.86Å; F10-F46 AromaticContact CE1-CE1 3.83Å; F10-F46 HydrophobicContact CE1-CE1 3.83Å; F10-F46 AromaticContact CE1-CZ 3.92Å; F10-F46 HydrophobicContact CE1-CZ 3.92Å; F10-F46 HydrophobicContact CG-CZ 4.39Å; F10-F46 HydrophobicContact CZ-CE1 4.42Å
11S92.5Very high88.3Confident95 Ų9559.2 Ų59.266%0.66434%0.337SS*.G310 helixtrans-65.6-13170.469.90000113.5P8 I9P8-S11 WeakPolarHBondContact O-CB 3.42Å; P8-S11 PolarHBondContact O-N 3.4Å; P8-S11 VanDerWaalsContact O-N 3.13Å; P8-S11 PolarHBondContact O-OG 3.38Å; I9-S11 PolarHBondContact O-N 3.16Å
12L89.8Confident90.1Very high99 Ų9952.7 Ų52.752%0.51830%0.303SS..G310 helixtrans-82.2-14.7175.3-60.2174.8000113.2I9 F10 I63I9-L12 WeakPolarHBondContact O-CB 3.36Å; I9-L12 PolarHBondContact O-N 3.1Å; F10-L12 PolarHBondContact O-N 3.14Å; L12-I63 HydrophobicContact CD1-CB 4.35Å; L12-I63 HydrophobicContact CD1-CG2 4.12Å
13M91.3Very high91.1Very high13 Ų1353 Ų536%0.06430%0.301CS..SBendtrans-87.5154.2-179.3-68.9-174.563.300111.8F10 E17 L18 I21 Y36 F46 P65F10-M13 HydrophobicContact CD1-SD 3.52Å; F10-M13 VanDerWaalsContact CD1-SD 3.52Å; F10-M13 HydrophobicContact CE1-SD 3.91Å; F10-M13 PolarHBondContact O-N 3.17Å; F10-M13 VanDerWaalsContact O-N 3.14Å; M13-E17 HydrophobicContact CE-CB 3.77Å; M13-L18 HydrophobicContact CB-CD2 4.05Å; M13-L18 HydrophobicContact SD-CD2 4.48Å; M13-I21 HydrophobicContact CE-CD1 3.97Å; M13-I21 HydrophobicContact SD-CD1 4Å; M13-Y36 HydrophobicContact CE-CE1 3.99Å; M13-Y36 HydrophobicContact CE-CE2 4.23Å; M13-Y36 WeakPolarHBondContact CE-OH 3.46Å; M13-Y36 HydrophobicContact SD-CD1 4.47Å; M13-Y36 HydrophobicContact SD-CE1 3.93Å; M13-F46 HydrophobicContact CG-CE2 4.31Å; M13-F46 HydrophobicContact CG-CZ 4.01Å; M13-F46 HydrophobicContact SD-CE1 3.85Å; M13-F46 HydrophobicContact SD-CZ 3.79Å; M13-P65 HydrophobicContact CE-CG 4.21Å; M13-P65 HydrophobicContact CG-CG 4.35Å; M13-P65 HydrophobicContact SD-CG 4.39Å
14A88.2Confident91.8Very high39 Ų3950.4 Ų50.432%0.32229%0.288SS..  trans-69.9140.2176.400000110.2E16 E17A14-E16 WeakPolarHBondContact CB-OE2 3.28Å; A14-E16 PolarHBondContact O-N 3.14Å; A14-E17 HydrophobicContact CB-CG 4.16Å; A14-E17 PolarHBondContact N-OE2 3.39Å; A14-E17 PolarHBondContact O-N 2.66Å
15P87.3Confident92.1Very high95 Ų9550.5 Ų50.562%0.61729%0.288SS*.THydrogen-bonded Turntrans-55.9-26-179.4-2735.5000114.3E17 P19P15-E17 VanDerWaalsContact C-N 3.34Å; P15-P19 VanDerWaalsContact O-CD 3.25Å; P15-P19 WeakPolarHBondContact O-CD 3.17Å
16E88.3Confident92.4Very high150 Ų15047.2 Ų47.270%0.70127%0.268SS*.THydrogen-bonded Turntrans-74.8-22.9178.9-55.975.7-162.500112.9A14A14-E16 WeakPolarHBondContact CB-OE2 3.28Å; A14-E16 PolarHBondContact O-N 3.14Å
17E87.9Confident92.7Very high82 Ų8243.7 Ų43.738%0.38325%0.253SS..THydrogen-bonded Turntrans-85.4-29.8-179.9-64177.6141.700112M13 A14 P15 P19 S20M13-E17 HydrophobicContact CE-CB 3.77Å; A14-E17 HydrophobicContact CB-CG 4.16Å; A14-E17 PolarHBondContact N-OE2 3.39Å; A14-E17 PolarHBondContact O-N 2.66Å; P15-E17 VanDerWaalsContact C-N 3.34Å; E17-P19 VanDerWaalsContact C-CD 3.5Å; E17-S20 VanDerWaalsContact O-CB 3.31Å; E17-S20 WeakPolarHBondContact O-CB 3.45Å; E17-S20 PolarHBondContact O-N 3.49Å; E17-S20 PolarHBondContact O-OG 2.93Å
18L91.1Very high92.7Very high29 Ų2944 Ų4415%0.15226%0.256CS..G310 helixtrans-57.9-40.3-176.3-62.4172.2000114V4 T5 F10 M13 S20 I21V4-L18 HydrophobicContact CG2-CD2 4.12Å; T5-L18 HydrophobicContact CG2-CD1 3.72Å; F10-L18 HydrophobicContact CB-CD2 4.2Å; F10-L18 HydrophobicContact CD1-CD2 4.35Å; M13-L18 HydrophobicContact CB-CD2 4.05Å; M13-L18 HydrophobicContact SD-CD2 4.48Å; L18-S20 PolarHBondContact O-N 3.43Å; L18-I21 HydrophobicContact CD2-CD1 4Å; L18-I21 WeakPolarHBondContact O-CB 3.41Å; L18-I21 PolarHBondContact O-N 2.99Å; L18-I21 VanDerWaalsContact O-N 3.09Å
19P90.9Very high92.6Very high97 Ų9744.1 Ų44.163%0.6326%0.259SS*.G310 helixtrans-64.9-18.5176.1-22.634.6000114.2P15 E17 I21 N39P15-P19 VanDerWaalsContact O-CD 3.25Å; P15-P19 WeakPolarHBondContact O-CD 3.17Å; E17-P19 VanDerWaalsContact C-CD 3.5Å; P19-I21 VanDerWaalsContact C-N 3.25Å; P19-N39 PolarHBondContact O-ND2 3.47Å
20S92.2Very high92.4Very high42 Ų4247.2 Ų47.229%0.29428%0.281SS..G310 helixtrans-74.9-18.1175.577.80000112.5E17 L18 R22 T38 N39E17-S20 VanDerWaalsContact O-CB 3.31Å; E17-S20 WeakPolarHBondContact O-CB 3.45Å; E17-S20 PolarHBondContact O-N 3.49Å; E17-S20 PolarHBondContact O-OG 2.93Å; L18-S20 PolarHBondContact O-N 3.43Å; S20-R22 PolarHBondContact O-N 2.98Å; S20-T38 CarbonylContact O-C 3.58Å; S20-T38 WeakPolarHBondContact O-CA 3.39Å; S20-T38 WeakPolarHBondContact O-CB 3.48Å; S20-N39 PolarHBondContact O-N 3.25Å; S20-N39 PolarHBondContact O-ND2 3.28Å
21I94.1Very high92.4Very high4 Ų447.7 Ų47.72%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-76.9113.3-174.9-57.2178.1000109.7V4 F10 M13 L18 P19 K23 A24 Y36 M348V4-I21 HydrophobicContact CG1-CG2 4.15Å; V4-I21 HydrophobicContact CG2-CD1 4.33Å; F10-I21 HydrophobicContact CD1-CD1 3.82Å; F10-I21 HydrophobicContact CE1-CD1 3.7Å; M13-I21 HydrophobicContact CE-CD1 3.97Å; M13-I21 HydrophobicContact SD-CD1 4Å; L18-I21 HydrophobicContact CD2-CD1 4Å; L18-I21 WeakPolarHBondContact O-CB 3.41Å; L18-I21 PolarHBondContact O-N 2.99Å; L18-I21 VanDerWaalsContact O-N 3.09Å; P19-I21 VanDerWaalsContact C-N 3.25Å; I21-K23 WeakPolarHBondContact CG2-O 3.47Å; I21-A24 HydrophobicContact CG2-CB 4.09Å; I21-Y36 HydrophobicContact CD1-CD2 4.17Å; I21-Y36 HydrophobicContact CD1-CE2 4.49Å; I21-Y36 HydrophobicContact CD1-CG 4.34Å; I21-Y36 HydrophobicContact CG1-CD2 3.76Å; I21-Y36 HydrophobicContact CG1-CE2 4.09Å; I21-Y36 HydrophobicContact CG1-CG 4.36Å; I21-Y36 HydrophobicContact CG2-CD2 4.32Å; I21-M348 WeakPolarHBondContact O-CB 3.46Å; I21-M348 WeakPolarHBondContact O-CG 3.16Å
22R92.6Very high92.5Very high23 Ų2347 Ų479%0.08727%0.274CS..EExtended strand (participates in β ladder)trans-88.4-41.3175.1-170.1174.864.8106.1-0.6112.1S20 I37 T38 N39 D41 M348 E349S20-R22 PolarHBondContact O-N 2.98Å; R22-I37 PolarHBondContact N-O 3.08Å; R22-T38 PolarHBondContact NE-O 2.78Å; R22-N39 WeakPolarHBondContact CB-OD1 3.25Å; R22-D41 IonicContact CZ-OD1 2.98Å; R22-D41 VanDerWaalsContact CZ-OD1 3.27Å; R22-D41 IonicContact NE-OD1 3.49Å; R22-D41 IonicContact NH2-OD1 2.86Å; R22-D41 PolarHBondContact NH2-OD1 2.95Å; R22-M348 WeakPolarHBondContact O-CB 3.29Å; R22-M348 PolarHBondContact O-N 3.01Å; R22-E349 WeakPolarHBondContact CD-OE1 3.4Å; R22-E349 HydrophobicContact CG-CG 3.89Å; R22-E349 IonicContact CZ-OE1 2.63Å; R22-E349 IonicContact NE-OE1 3.78Å; R22-E349 IonicContact NH1-OE1 3.94Å; R22-E349 PolarHBondContact NH1-OE1 3.36Å
23K94.6Very high92.9Very high48 Ų4842.4 Ų42.421%0.20925%0.25CS..EExtended strand (participates in β ladder)trans-137.8149.8176.3-63.5-176.3178.1-177.20111.4I21 Y36 I37 L346I21-K23 WeakPolarHBondContact CG2-O 3.47Å; K23-Y36 CarbonylContact O-C 3.54Å; K23-Y36 VanDerWaalsContact O-CA 3.24Å; K23-Y36 WeakPolarHBondContact O-CA 3.24Å; K23-Y36 WeakPolarHBondContact O-CB 3.48Å; K23-I37 HydrophobicContact CB-CB 4.21Å; K23-I37 HydrophobicContact CB-CD1 4.09Å; K23-I37 HydrophobicContact CB-CG1 4.46Å; K23-I37 HydrophobicContact CD-CD1 4.3Å; K23-I37 PolarHBondContact N-O 3.12Å; K23-I37 PolarHBondContact O-N 3.31Å; K23-L346 CarbonylContact C-O 3.52Å; K23-L346 WeakPolarHBondContact CA-O 3.47Å
24A96.8Very high93.2Very high2 Ų241.8 Ų41.82%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-144153.2177.100000111.6V4 F10 I21 I35 M342 P345 L346V4-A24 HydrophobicContact CG1-CB 3.82Å; F10-A24 HydrophobicContact CE1-CB 4.45Å; F10-A24 HydrophobicContact CE2-CB 4.01Å; F10-A24 HydrophobicContact CZ-CB 3.56Å; I21-A24 HydrophobicContact CG2-CB 4.09Å; A24-I35 CarbonylContact C-O 3.55Å; A24-I35 WeakPolarHBondContact CA-O 3.46Å; A24-M342 VanDerWaalsContact C-SD 3.59Å; A24-M342 HydrophobicContact CB-CE 4.23Å; A24-P345 CarbonylContact O-C 3.53Å; A24-P345 WeakPolarHBondContact O-CA 3.23Å; A24-L346 PolarHBondContact N-O 3.14Å; A24-L346 PolarHBondContact O-N 3.19Å
25C97.4Very high93.6Very high3 Ų340.1 Ų40.12%0.0223%0.233CC..EExtended strand (participates in β ladder)trans-139.5116.2173.2-169.70000109.2A34 I35 L79 M342C25-A34 VanDerWaalsContact O-CA 3.29Å; C25-A34 WeakPolarHBondContact O-CA 3.19Å; C25-I35 PolarHBondContact N-O 3.05Å; C25-I35 PolarHBondContact O-N 3.47Å; C25-L79 HydrophobicContact CB-CD2 3.23Å; C25-M342 WeakPolarHBondContact CA-SD 3.42Å
26V97.7Very high94.1Very high2 Ų236 Ų361%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-100.4128.6171.8179.80000108.9W7 I9 F10 A31 E33 A34 V341 M342W7-V26 HydrophobicContact CB-CG2 4.05Å; W7-V26 HydrophobicContact CD2-CB 4.49Å; W7-V26 HydrophobicContact CD2-CG2 4.21Å; W7-V26 HydrophobicContact CE3-CB 3.86Å; W7-V26 HydrophobicContact CE3-CG1 4.22Å; W7-V26 HydrophobicContact CE3-CG2 4.04Å; W7-V26 HydrophobicContact CG-CG2 4.23Å; W7-V26 HydrophobicContact CZ3-CB 4.36Å; I9-V26 HydrophobicContact CG2-CG1 4.2Å; I9-V26 HydrophobicContact CG2-CG2 3.68Å; F10-V26 HydrophobicContact CD2-CG2 4.16Å; F10-V26 HydrophobicContact CE2-CG2 3.54Å; V26-A31 HydrophobicContact CG1-CB 3.99Å; V26-E33 WeakPolarHBondContact CA-O 3.47Å; V26-A34 HydrophobicContact CG2-CB 4.47Å; V26-V341 WeakPolarHBondContact O-CA 3.49Å; V26-V341 WeakPolarHBondContact O-CB 3.5Å; V26-M342 HydrophobicContact CB-CE 4.39Å; V26-M342 HydrophobicContact CB-CG 4.18Å; V26-M342 HydrophobicContact CB-SD 4.4Å; V26-M342 HydrophobicContact CG2-CE 3.82Å; V26-M342 HydrophobicContact CG2-SD 4.33Å; V26-M342 PolarHBondContact N-SD 2.96Å; V26-M342 PolarHBondContact O-N 3.39Å
27F96.9Very high94.4Very high0 Ų029.5 Ų29.50%018%0.175CC..EExtended strand (participates in β ladder)trans-145.1-176.2-171.366.4-80.2000112.1A31 E33 I35 C53 Y81 P85 V87F27-A31 WeakPolarHBondContact O-CA 3.31Å; F27-E33 HydrophobicContact CD1-CB 4.05Å; F27-E33 WeakPolarHBondContact CD1-O 3.35Å; F27-E33 HydrophobicContact CD2-CB 3.95Å; F27-E33 HydrophobicContact CE1-CB 3.8Å; F27-E33 HydrophobicContact CE2-CB 3.71Å; F27-E33 HydrophobicContact CE2-CG 4.41Å; F27-E33 HydrophobicContact CG-CB 4.11Å; F27-E33 HydrophobicContact CZ-CB 3.64Å; F27-E33 PolarHBondContact N-O 2.99Å; F27-E33 PolarHBondContact O-N 3.29Å; F27-I35 HydrophobicContact CE1-CB 4.45Å; F27-I35 HydrophobicContact CE1-CD1 3.66Å; F27-I35 HydrophobicContact CE1-CG1 3.74Å; F27-I35 HydrophobicContact CZ-CD1 3.86Å; F27-I35 HydrophobicContact CZ-CG1 4.18Å; F27-C53 HydrophobicContact CE2-CB 4.1Å; F27-Y81 HydrophobicContact CB-CD1 3.38Å; F27-Y81 HydrophobicContact CB-CD2 3.47Å; F27-Y81 VanDerWaalsContact CB-CD2 3.47Å; F27-Y81 HydrophobicContact CB-CE1 3.49Å; F27-Y81 VanDerWaalsContact CB-CE1 3.49Å; F27-Y81 HydrophobicContact CB-CE2 3.58Å; F27-Y81 HydrophobicContact CB-CG 3.37Å; F27-Y81 HydrophobicContact CD2-CD2 4.39Å; F27-Y81 HydrophobicContact CD2-CG 4.14Å; F27-Y81 HydrophobicContact CG-CD1 4.13Å; F27-Y81 HydrophobicContact CG-CD2 4.33Å; F27-Y81 AromaticContact CG-CG 3.96Å; F27-Y81 HydrophobicContact CG-CG 3.96Å; F27-P85 HydrophobicContact CD2-CB 3.93Å; F27-P85 HydrophobicContact CD2-CG 4.43Å; F27-P85 HydrophobicContact CE2-CB 3.93Å; F27-V87 HydrophobicContact CE2-CG2 3.9Å; F27-V87 HydrophobicContact CZ-CG2 4.09Å
28G94.2Very high94.7Very high7 Ų725.9 Ų25.97%0.07216%0.159CC..SBendtrans90.6167.3178.500000114.6S30 A31 E33 V341G28-S30 PolarHBondContact O-N 3.02Å; G28-S30 VanDerWaalsContact O-N 3.14Å; G28-A31 PolarHBondContact O-N 3.04Å; G28-E33 WeakPolarHBondContact CA-OE2 3.4Å; G28-V341 WeakPolarHBondContact O-CG1 3.39Å
29S90.5Very high94.7Very high86 Ų8629 Ų2960%0.60118%0.175SC*.THydrogen-bonded Turntrans-66.8-17.8-171-59.70000113.7
30S91.6Very high94.8Very high74 Ų7430.8 Ų30.852%0.51718%0.18SC..THydrogen-bonded Turntrans-124.611.3178.5-57.60000113.1G28 N32G28-S30 PolarHBondContact O-N 3.02Å; G28-S30 VanDerWaalsContact O-N 3.14Å; S30-N32 VanDerWaalsContact C-N 3.25Å; S30-N32 PolarHBondContact O-N 3.05Å; S30-N32 PolarHBondContact O-OD1 3.05Å
31A94.6Very high94.7Very high11 Ų1131.3 Ų31.39%0.09118%0.179CC..SBendtrans56.636.8-176.300000113.9V26 F27 G28 P339 S340 V341V26-A31 HydrophobicContact CG1-CB 3.99Å; F27-A31 WeakPolarHBondContact O-CA 3.31Å; G28-A31 PolarHBondContact O-N 3.04Å; A31-P339 HydrophobicContact CB-CB 4.4Å; A31-S340 WeakPolarHBondContact CB-O 3.41Å; A31-V341 HydrophobicContact CB-CG1 3.78Å
32N95.5Very high94.8Very high81 Ų8134.3 Ų34.343%0.43319%0.193SC..  trans-113.518.1-174-74.4-24.4000111.6I9 S30 G47 L48I9-N32 WeakPolarHBondContact CD1-O 3.27Å; S30-N32 VanDerWaalsContact C-N 3.25Å; S30-N32 PolarHBondContact O-N 3.05Å; S30-N32 PolarHBondContact O-OD1 3.05Å; N32-G47 CarbonylContact O-C 3.59Å; N32-G47 WeakPolarHBondContact O-CA 3.38Å; N32-L48 HydrophobicContact CB-CB 4.23Å; N32-L48 PolarHBondContact O-N 3.45Å
33E96.7Very high95Very high2 Ų233.3 Ų33.31%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-127.8132.9179.3-60.695.5147.700108.8V26 F27 G28 L48 C50V26-E33 WeakPolarHBondContact CA-O 3.47Å; F27-E33 HydrophobicContact CD1-CB 4.05Å; F27-E33 WeakPolarHBondContact CD1-O 3.35Å; F27-E33 HydrophobicContact CD2-CB 3.95Å; F27-E33 HydrophobicContact CE1-CB 3.8Å; F27-E33 HydrophobicContact CE2-CB 3.71Å; F27-E33 HydrophobicContact CE2-CG 4.41Å; F27-E33 HydrophobicContact CG-CB 4.11Å; F27-E33 HydrophobicContact CZ-CB 3.64Å; F27-E33 PolarHBondContact N-O 2.99Å; F27-E33 PolarHBondContact O-N 3.29Å; G28-E33 WeakPolarHBondContact CA-OE2 3.4Å; E33-L48 HydrophobicContact CG-CB 4.12Å; E33-L48 WeakPolarHBondContact CG-O 3.27Å; E33-C50 PolarHBondContact OE1-SG 3.37Å
34A97.5Very high95.1Very high0 Ų032.8 Ų32.80%019%0.187CC..EExtended strand (participates in β ladder)trans-134.8140.7177.500000112.2I9 F10 C25 V26 V45 F46I9-A34 HydrophobicContact CD1-CB 3.77Å; I9-A34 HydrophobicContact CG2-CB 4.01Å; F10-A34 HydrophobicContact CE2-CB 4.36Å; F10-A34 HydrophobicContact CZ-CB 4.03Å; C25-A34 VanDerWaalsContact O-CA 3.29Å; C25-A34 WeakPolarHBondContact O-CA 3.19Å; V26-A34 HydrophobicContact CG2-CB 4.47Å; A34-V45 WeakPolarHBondContact O-CA 3.49Å; A34-F46 HydrophobicContact CB-CD1 4.05Å; A34-F46 HydrophobicContact CB-CE1 3.61Å; A34-F46 HydrophobicContact CB-CZ 4.03Å; A34-F46 PolarHBondContact N-O 3.25Å; A34-F46 PolarHBondContact O-N 2.84Å; A34-F46 VanDerWaalsContact O-N 3.1Å
35I97.8Very high95.2Very high4 Ų432.7 Ų32.72%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-117.6131.7163-65.6155.3000106.3A24 C25 F27 V43 F44 V45 L79 V87 W99A24-I35 CarbonylContact C-O 3.55Å; A24-I35 WeakPolarHBondContact CA-O 3.46Å; C25-I35 PolarHBondContact N-O 3.05Å; C25-I35 PolarHBondContact O-N 3.47Å; F27-I35 HydrophobicContact CE1-CB 4.45Å; F27-I35 HydrophobicContact CE1-CD1 3.66Å; F27-I35 HydrophobicContact CE1-CG1 3.74Å; F27-I35 HydrophobicContact CZ-CD1 3.86Å; F27-I35 HydrophobicContact CZ-CG1 4.18Å; I35-V43 HydrophobicContact CG2-CG1 3.83Å; I35-F44 CarbonylContact C-O 3.59Å; I35-F44 WeakPolarHBondContact CA-O 3.29Å; I35-V45 HydrophobicContact CB-CG1 4.33Å; I35-V45 HydrophobicContact CG1-CG1 3.61Å; I35-V45 HydrophobicContact CG2-CG1 4.4Å; I35-L79 HydrophobicContact CB-CD2 4.4Å; I35-L79 HydrophobicContact CD1-CD1 3.97Å; I35-L79 HydrophobicContact CD1-CD2 4.37Å; I35-L79 HydrophobicContact CG2-CD1 4.33Å; I35-L79 HydrophobicContact CG2-CD2 4.47Å; I35-V87 HydrophobicContact CD1-CG1 3.8Å; I35-V87 HydrophobicContact CD1-CG2 4.16Å; I35-W99 HydrophobicContact CD1-CZ2 4.08Å
36Y97Very high95.2Very high8 Ų832.5 Ų32.53%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-136.1156.617472.3-92.2000111.6F10 M13 I21 K23 T38 V43 F44 F46 P65F10-Y36 HydrophobicContact CE1-CD1 4.08Å; F10-Y36 HydrophobicContact CE1-CG 4.33Å; M13-Y36 HydrophobicContact CE-CE1 3.99Å; M13-Y36 HydrophobicContact CE-CE2 4.23Å; M13-Y36 WeakPolarHBondContact CE-OH 3.46Å; M13-Y36 HydrophobicContact SD-CD1 4.47Å; M13-Y36 HydrophobicContact SD-CE1 3.93Å; I21-Y36 HydrophobicContact CD1-CD2 4.17Å; I21-Y36 HydrophobicContact CD1-CE2 4.49Å; I21-Y36 HydrophobicContact CD1-CG 4.34Å; I21-Y36 HydrophobicContact CG1-CD2 3.76Å; I21-Y36 HydrophobicContact CG1-CE2 4.09Å; I21-Y36 HydrophobicContact CG1-CG 4.36Å; I21-Y36 HydrophobicContact CG2-CD2 4.32Å; K23-Y36 CarbonylContact O-C 3.54Å; K23-Y36 VanDerWaalsContact O-CA 3.24Å; K23-Y36 WeakPolarHBondContact O-CA 3.24Å; K23-Y36 WeakPolarHBondContact O-CB 3.48Å; Y36-T38 HydrophobicContact CD2-CG2 4.39Å; Y36-T38 HydrophobicContact CE2-CG2 4.02Å; Y36-V43 WeakPolarHBondContact O-CA 3.38Å; Y36-F44 HydrophobicContact CD1-CB 3.91Å; Y36-F44 HydrophobicContact CD2-CB 4.16Å; Y36-F44 HydrophobicContact CE1-CB 3.38Å; Y36-F44 HydrophobicContact CE1-CG 4.3Å; Y36-F44 HydrophobicContact CE2-CB 3.66Å; Y36-F44 AromaticContact CE2-CD2 3.83Å; Y36-F44 HydrophobicContact CE2-CD2 3.83Å; Y36-F44 AromaticContact CE2-CG 3.92Å; Y36-F44 HydrophobicContact CE2-CG 3.92Å; Y36-F44 HydrophobicContact CG-CB 4.28Å; Y36-F44 AromaticContact CZ-CG 3.67Å; Y36-F44 PolarHBondContact N-O 3.33Å; Y36-F44 PolarHBondContact O-N 2.88Å; Y36-F44 WeakPolarHBondContact OH-CB 3.5Å; Y36-F44 WeakPolarHBondContact OH-CG 3.43Å; Y36-F46 HydrophobicContact CD1-CD1 4.09Å; Y36-F46 AromaticContact CD1-CE1 3.77Å; Y36-F46 HydrophobicContact CD1-CE1 3.77Å; Y36-F46 AromaticContact CE1-CD1 3.88Å; Y36-F46 HydrophobicContact CE1-CD1 3.88Å; Y36-F46 AromaticContact CE1-CE1 3.78Å; Y36-F46 HydrophobicContact CE1-CE1 3.78Å; Y36-P65 HydrophobicContact CE1-CB 4.02Å; Y36-P65 HydrophobicContact CE1-CG 4.18Å; Y36-P65 WeakPolarHBondContact OH-CB 3.26Å; Y36-P65 WeakPolarHBondContact OH-CG 3.34Å
37I95.8Very high95.1Very high14 Ų1432.9 Ų32.97%0.07219%0.19CC..EExtended strand (participates in β ladder)trans-122.6129.8-177-53164.8000107.2R22 K23 E42 V43 V76R22-I37 PolarHBondContact N-O 3.08Å; K23-I37 HydrophobicContact CB-CB 4.21Å; K23-I37 HydrophobicContact CB-CD1 4.09Å; K23-I37 HydrophobicContact CB-CG1 4.46Å; K23-I37 HydrophobicContact CD-CD1 4.3Å; K23-I37 PolarHBondContact N-O 3.12Å; K23-I37 PolarHBondContact O-N 3.31Å; I37-E42 CarbonylContact C-O 3.52Å; I37-E42 VanDerWaalsContact CA-O 3.29Å; I37-E42 WeakPolarHBondContact CA-O 3.42Å; I37-V43 HydrophobicContact CG1-CG2 4.25Å; I37-V76 HydrophobicContact CD1-CB 3.66Å; I37-V76 HydrophobicContact CD1-CG1 4.03Å; I37-V76 HydrophobicContact CD1-CG2 4.03Å
38T94.3Very high95.1Very high7 Ų736.2 Ų36.24%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-81.6174.1179.167.70000112.3S20 R22 Y36 D40 D41 E42 F44S20-T38 CarbonylContact O-C 3.58Å; S20-T38 WeakPolarHBondContact O-CA 3.39Å; S20-T38 WeakPolarHBondContact O-CB 3.48Å; R22-T38 PolarHBondContact NE-O 2.78Å; Y36-T38 HydrophobicContact CD2-CG2 4.39Å; Y36-T38 HydrophobicContact CE2-CG2 4.02Å; T38-D40 PolarHBondContact O-N 3.37Å; T38-D40 PolarHBondContact OG1-N 3.47Å; T38-D41 PolarHBondContact O-N 3.14Å; T38-E42 HydrophobicContact CG2-CB 4.48Å; T38-E42 PolarHBondContact N-O 3.37Å; T38-E42 WeakPolarHBondContact OG1-CB 3.34Å; T38-E42 PolarHBondContact OG1-N 2.92Å; T38-F44 HydrophobicContact CG2-CD2 3.88Å; T38-F44 HydrophobicContact CG2-CE2 3.77Å
39N91.1Very high95.1Very high93 Ų9336.2 Ų36.250%0.49721%0.206SC..THydrogen-bonded Turntrans-61.7-24.2171.1-66.1-37.1000112.8P19 S20 R22 D41P19-N39 PolarHBondContact O-ND2 3.47Å; S20-N39 PolarHBondContact O-N 3.25Å; S20-N39 PolarHBondContact O-ND2 3.28Å; R22-N39 WeakPolarHBondContact CB-OD1 3.25Å; N39-D41 VanDerWaalsContact C-N 3.28Å; N39-D41 PolarHBondContact O-N 3.22Å
40D91.3Very high95.1Very high136 Ų13635.2 Ų35.273%0.72720%0.198SC*.THydrogen-bonded Turntrans-90.916.5177-58.5-49.2000113T38 E42T38-D40 PolarHBondContact O-N 3.37Å; T38-D40 PolarHBondContact OG1-N 3.47Å; D40-E42 HydrophobicContact CB-CG 4.36Å; D40-E42 PolarHBondContact O-N 2.91Å; D40-E42 VanDerWaalsContact O-N 3.13Å
41D91.6Very high95.1Very high53 Ų5332.9 Ų32.928%0.28318%0.182SC..SBendtrans59.917.1-176.9-73-43.7000114.6R22 T38 N39R22-D41 IonicContact CZ-OD1 2.98Å; R22-D41 VanDerWaalsContact CZ-OD1 3.27Å; R22-D41 IonicContact NE-OD1 3.49Å; R22-D41 IonicContact NH2-OD1 2.86Å; R22-D41 PolarHBondContact NH2-OD1 2.95Å; T38-D41 PolarHBondContact O-N 3.14Å; N39-D41 VanDerWaalsContact C-N 3.28Å; N39-D41 PolarHBondContact O-N 3.22Å
42E95.4Very high95.2Very high67 Ų6733.4 Ų33.431%0.31318%0.183SC..  trans-79.7137.7174.3-58.6-164.9140.500111.2I37 T38 D40 F44 K67I37-E42 CarbonylContact C-O 3.52Å; I37-E42 VanDerWaalsContact CA-O 3.29Å; I37-E42 WeakPolarHBondContact CA-O 3.42Å; T38-E42 HydrophobicContact CG2-CB 4.48Å; T38-E42 PolarHBondContact N-O 3.37Å; T38-E42 WeakPolarHBondContact OG1-CB 3.34Å; T38-E42 PolarHBondContact OG1-N 2.92Å; D40-E42 HydrophobicContact CB-CG 4.36Å; D40-E42 PolarHBondContact O-N 2.91Å; D40-E42 VanDerWaalsContact O-N 3.13Å; E42-F44 HydrophobicContact CB-CD2 4.29Å; E42-F44 HydrophobicContact CB-CE2 3.64Å; E42-K67 WeakPolarHBondContact OE1-CE 3.38Å; E42-K67 IonicContact OE1-NZ 3.81Å; E42-K67 PolarHBondContact OE1-NZ 3.05Å; E42-K67 IonicContact OE2-NZ 3.68Å
43V97.1Very high95.2Very high2 Ų229.5 Ų29.51%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-106.6127.8-176.3-1700000110.5I35 Y36 I37 L68 L71 V76I35-V43 HydrophobicContact CG2-CG1 3.83Å; Y36-V43 WeakPolarHBondContact O-CA 3.38Å; I37-V43 HydrophobicContact CG1-CG2 4.25Å; V43-L68 HydrophobicContact CB-CB 4.41Å; V43-L68 HydrophobicContact CG1-CD1 4.09Å; V43-L68 PolarHBondContact O-N 3.28Å; V43-L71 HydrophobicContact CB-CB 4.35Å; V43-L71 HydrophobicContact CB-CD1 3.81Å; V43-L71 HydrophobicContact CG1-CD1 3.88Å; V43-L71 HydrophobicContact CG2-CB 3.97Å; V43-L71 HydrophobicContact CG2-CD1 3.75Å; V43-L71 HydrophobicContact CG2-CG 4.48Å; V43-V76 HydrophobicContact CG2-CG2 3.71Å
44F97.1Very high95.2Very high36 Ų3629.4 Ų29.416%0.15816%0.161CC..EExtended strand (participates in β ladder)trans-125.9152.1-178.9-71.8-96.9000111.5I35 Y36 T38 E42 P65 K66 K67I35-F44 CarbonylContact C-O 3.59Å; I35-F44 WeakPolarHBondContact CA-O 3.29Å; Y36-F44 HydrophobicContact CD1-CB 3.91Å; Y36-F44 HydrophobicContact CD2-CB 4.16Å; Y36-F44 HydrophobicContact CE1-CB 3.38Å; Y36-F44 HydrophobicContact CE1-CG 4.3Å; Y36-F44 HydrophobicContact CE2-CB 3.66Å; Y36-F44 AromaticContact CE2-CD2 3.83Å; Y36-F44 HydrophobicContact CE2-CD2 3.83Å; Y36-F44 AromaticContact CE2-CG 3.92Å; Y36-F44 HydrophobicContact CE2-CG 3.92Å; Y36-F44 HydrophobicContact CG-CB 4.28Å; Y36-F44 AromaticContact CZ-CG 3.67Å; Y36-F44 PolarHBondContact N-O 3.33Å; Y36-F44 PolarHBondContact O-N 2.88Å; Y36-F44 WeakPolarHBondContact OH-CB 3.5Å; Y36-F44 WeakPolarHBondContact OH-CG 3.43Å; T38-F44 HydrophobicContact CG2-CD2 3.88Å; T38-F44 HydrophobicContact CG2-CE2 3.77Å; E42-F44 HydrophobicContact CB-CD2 4.29Å; E42-F44 HydrophobicContact CB-CE2 3.64Å; F44-P65 HydrophobicContact CB-CB 4.36Å; F44-P65 HydrophobicContact CD1-CB 3.98Å; F44-K66 CarbonylContact C-O 3.58Å; F44-K66 VanDerWaalsContact CA-O 3.31Å; F44-K66 WeakPolarHBondContact CA-O 3.46Å; F44-K67 HydrophobicContact CD1-CB 3.98Å; F44-K67 HydrophobicContact CE1-CB 3.63Å; F44-K67 HydrophobicContact CE1-CG 4.24Å; F44-K67 HydrophobicContact CZ-CB 4.06Å; F44-K67 HydrophobicContact CZ-CD 4.26Å; F44-K67 HydrophobicContact CZ-CG 4.18Å
45V97.7Very high95.2Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-135146.4178.7-59.70000111.7A34 I35 L54 T56 K66 L68A34-V45 WeakPolarHBondContact O-CA 3.49Å; I35-V45 HydrophobicContact CB-CG1 4.33Å; I35-V45 HydrophobicContact CG1-CG1 3.61Å; I35-V45 HydrophobicContact CG2-CG1 4.4Å; V45-L54 HydrophobicContact CB-CB 4.37Å; V45-L54 HydrophobicContact CB-CD2 4.33Å; V45-L54 HydrophobicContact CG2-CB 4.04Å; V45-L54 WeakPolarHBondContact CG2-O 3.18Å; V45-T56 HydrophobicContact CG2-CG2 3.67Å; V45-K66 HydrophobicContact CG2-CB 4.27Å; V45-K66 PolarHBondContact N-O 3.25Å; V45-K66 PolarHBondContact O-N 3.2Å; V45-L68 HydrophobicContact CG1-CD1 3.55Å; V45-L68 HydrophobicContact CG1-CD2 4.25Å; V45-L68 HydrophobicContact CG1-CG 3.85Å; V45-L68 HydrophobicContact CG2-CD2 3.92Å; V45-L68 HydrophobicContact CG2-CG 4.24Å
46F97.4Very high95.1Very high0 Ų031.1 Ų31.10%017%0.173CC..EExtended strand (participates in β ladder)trans-160.7168.2170.467.6-68.5000111.1I9 F10 M13 A34 Y36 T62 P65I9-F46 HydrophobicContact CD1-CD2 4.37Å; I9-F46 HydrophobicContact CD1-CE2 4.11Å; I9-F46 HydrophobicContact CD1-CZ 4.44Å; I9-F46 HydrophobicContact CG1-CD2 4.29Å; I9-F46 HydrophobicContact CG1-CE2 3.69Å; I9-F46 HydrophobicContact CG1-CZ 4.17Å; I9-F46 HydrophobicContact CG2-CZ 4.43Å; I9-F46 WeakPolarHBondContact O-CE2 3.41Å; F10-F46 HydrophobicContact CD1-CE1 4.22Å; F10-F46 AromaticContact CD1-CZ 3.86Å; F10-F46 HydrophobicContact CD1-CZ 3.86Å; F10-F46 AromaticContact CE1-CE1 3.83Å; F10-F46 HydrophobicContact CE1-CE1 3.83Å; F10-F46 AromaticContact CE1-CZ 3.92Å; F10-F46 HydrophobicContact CE1-CZ 3.92Å; F10-F46 HydrophobicContact CG-CZ 4.39Å; F10-F46 HydrophobicContact CZ-CE1 4.42Å; M13-F46 HydrophobicContact CG-CE2 4.31Å; M13-F46 HydrophobicContact CG-CZ 4.01Å; M13-F46 HydrophobicContact SD-CE1 3.85Å; M13-F46 HydrophobicContact SD-CZ 3.79Å; A34-F46 HydrophobicContact CB-CD1 4.05Å; A34-F46 HydrophobicContact CB-CE1 3.61Å; A34-F46 HydrophobicContact CB-CZ 4.03Å; A34-F46 PolarHBondContact N-O 3.25Å; A34-F46 PolarHBondContact O-N 2.84Å; A34-F46 VanDerWaalsContact O-N 3.1Å; Y36-F46 HydrophobicContact CD1-CD1 4.09Å; Y36-F46 AromaticContact CD1-CE1 3.77Å; Y36-F46 HydrophobicContact CD1-CE1 3.77Å; Y36-F46 AromaticContact CE1-CD1 3.88Å; Y36-F46 HydrophobicContact CE1-CD1 3.88Å; Y36-F46 AromaticContact CE1-CE1 3.78Å; Y36-F46 HydrophobicContact CE1-CE1 3.78Å; F46-T62 HydrophobicContact CB-CG2 4.26Å; F46-P65 HydrophobicContact CD1-CG 4.42Å
47G96.7Very high95Very high10 Ų1033 Ų3310%0.10320%0.195CC..EExtended strand (participates in β ladder)trans115.7-152.6-179.600000113.7N32 S61 T62N32-G47 CarbonylContact O-C 3.59Å; N32-G47 WeakPolarHBondContact O-CA 3.38Å; G47-S61 WeakPolarHBondContact O-CA 3.45Å; G47-S61 WeakPolarHBondContact O-CB 3.23Å; G47-T62 WeakPolarHBondContact CA-O 3.4Å; G47-T62 PolarHBondContact N-O 3.38Å; G47-T62 PolarHBondContact O-N 2.99Å
48L96.1Very high94.9Very high69 Ų6934.7 Ų34.736%0.36120%0.204SC..  trans-74.6139.4177.4-171.870.9000110.7N32 E33 C50 C53N32-L48 HydrophobicContact CB-CB 4.23Å; N32-L48 PolarHBondContact O-N 3.45Å; E33-L48 HydrophobicContact CG-CB 4.12Å; E33-L48 WeakPolarHBondContact CG-O 3.27Å; L48-C50 HydrophobicContact CD2-CB 3.75Å; L48-C50 HydrophobicContact CG-CB 3.93Å; L48-C53 PolarHBondContact O-SG 3.42Å
49N95.5Very high95Very high8 Ų838.1 Ų38.14%0.04323%0.228CC..  trans-11145.6-179.8-157.510.9000112.5S51 N52 C53 L54 D58 Q60 S61N49-S51 PolarHBondContact O-N 3.44Å; N49-N52 PolarHBondContact O-N 3.13Å; N49-N52 WeakPolarHBondContact OD1-CA 3.14Å; N49-C53 PolarHBondContact OD1-N 3.21Å; N49-L54 HydrophobicContact CB-CD1 3.88Å; N49-L54 HydrophobicContact CB-CG 3.96Å; N49-L54 PolarHBondContact OD1-N 2.8Å; N49-D58 PolarHBondContact ND2-O 3.38Å; N49-Q60 WeakPolarHBondContact CB-O 3.31Å; N49-Q60 PolarHBondContact ND2-N 3.28Å; N49-Q60 PolarHBondContact ND2-O 3.36Å; N49-Q60 VanDerWaalsContact ND2-O 3.15Å; N49-S61 PolarHBondContact N-OG 2.98Å
50C88.8Confident95.2Very high65 Ų6539.6 Ų39.644%0.43923%0.232SC..THydrogen-bonded Turntrans-69.40.4-164.266.40000116.6E33 L48E33-C50 PolarHBondContact OE1-SG 3.37Å; L48-C50 HydrophobicContact CD2-CB 3.75Å; L48-C50 HydrophobicContact CG-CB 3.93Å
51S92.9Very high95.5Very high25 Ų2536.1 Ų36.118%0.17522%0.218CC..THydrogen-bonded Turntrans-153.230.1169.6-72.40000111.3N49 C53 G100 H101N49-S51 PolarHBondContact O-N 3.44Å; S51-C53 PolarHBondContact O-N 2.9Å; S51-G100 CarbonylContact O-C 3.45Å; S51-G100 WeakPolarHBondContact O-CA 3.35Å; S51-H101 PolarHBondContact O-N 3.31Å
52N96.3Very high95.7Very high21 Ų2134.6 Ų34.611%0.11221%0.211CC..SBendtrans59.728.6-166.5-39.8-64.5000113.1N49 L54 G55 S59 V116N49-N52 PolarHBondContact O-N 3.13Å; N49-N52 WeakPolarHBondContact OD1-CA 3.14Å; N52-L54 PolarHBondContact O-N 3.31Å; N52-G55 PolarHBondContact O-N 3.26Å; N52-G55 VanDerWaalsContact O-N 3.12Å; N52-S59 WeakPolarHBondContact OD1-CA 3.11Å; N52-S59 VanDerWaalsContact OD1-CB 3.27Å; N52-S59 WeakPolarHBondContact OD1-CB 3.34Å; N52-V116 HydrophobicContact CB-CB 4.41Å; N52-V116 HydrophobicContact CB-CG1 4.5Å; N52-V116 HydrophobicContact CB-CG2 4.48Å
53C95.6Very high95.6Very high0 Ų037 Ų370%023%0.225CC..THydrogen-bonded Turntrans-70.2-12-175.355.60000114.3F27 L48 N49 S51 P85 W99F27-C53 HydrophobicContact CE2-CB 4.1Å; L48-C53 PolarHBondContact O-SG 3.42Å; N49-C53 PolarHBondContact OD1-N 3.21Å; S51-C53 PolarHBondContact O-N 2.9Å; C53-P85 HydrophobicContact CB-CB 3.7Å; C53-P85 HydrophobicContact CB-CG 4.44Å; C53-P85 WeakPolarHBondContact CB-O 3.5Å; C53-W99 PolarHBondContact O-NE1 3.07Å
54L97.3Very high95.5Very high0 Ų041.6 Ų41.60%025%0.253CS..THydrogen-bonded Turntrans-79.2-19.7171.3-57.5-174000112.4V45 N49 N52 T56 T62V45-L54 HydrophobicContact CB-CB 4.37Å; V45-L54 HydrophobicContact CB-CD2 4.33Å; V45-L54 HydrophobicContact CG2-CB 4.04Å; V45-L54 WeakPolarHBondContact CG2-O 3.18Å; N49-L54 HydrophobicContact CB-CD1 3.88Å; N49-L54 HydrophobicContact CB-CG 3.96Å; N49-L54 PolarHBondContact OD1-N 2.8Å; N52-L54 PolarHBondContact O-N 3.31Å; L54-T56 VanDerWaalsContact C-N 3.25Å; L54-T56 HydrophobicContact CB-CG2 3.9Å; L54-T56 PolarHBondContact O-N 2.69Å; L54-T62 HydrophobicContact CD1-CG2 4.09Å
55G96.2Very high95.5Very high4 Ų441.2 Ų41.24%0.04125%0.254CS..  trans6626.117800000113.9N52 G57 P118N52-G55 PolarHBondContact O-N 3.26Å; N52-G55 VanDerWaalsContact O-N 3.12Å; G55-G57 VanDerWaalsContact C-N 3.27Å; G55-G57 PolarHBondContact O-N 3.44Å; G55-P118 WeakPolarHBondContact O-CD 3.2Å
56T96.2Very high95.4Very high35 Ų3544.4 Ų44.422%0.21527%0.268CS..SBendtrans-81.4-0.8-175.447.80000113.9V45 L54 D58 K66V45-T56 HydrophobicContact CG2-CG2 3.67Å; L54-T56 VanDerWaalsContact C-N 3.25Å; L54-T56 HydrophobicContact CB-CG2 3.9Å; L54-T56 PolarHBondContact O-N 2.69Å; T56-D58 PolarHBondContact O-N 3.49Å; T56-D58 PolarHBondContact OG1-OD1 3.46Å; T56-K66 HydrophobicContact CG2-CB 4.21Å; T56-K66 HydrophobicContact CG2-CD 3.69Å
57G95.4Very high95.3Very high48 Ų4847.6 Ų47.650%0.49528%0.282SS..SBendtrans78.26-172.800000113.8G55 V116G55-G57 VanDerWaalsContact C-N 3.27Å; G55-G57 PolarHBondContact O-N 3.44Å; G57-V116 VanDerWaalsContact C-CG1 3.45Å; G57-V116 WeakPolarHBondContact CA-O 3.38Å; G57-V116 PolarHBondContact N-O 2.89Å
58D94.1Very high95.3Very high50 Ų5047.4 Ų47.427%0.26728%0.278SS..SBendtrans-138.4171.817565.948.8000110.7N49 T56 Q60 K66N49-D58 PolarHBondContact ND2-O 3.38Å; T56-D58 PolarHBondContact O-N 3.49Å; T56-D58 PolarHBondContact OG1-OD1 3.46Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.13Å; D58-Q60 PolarHBondContact OD1-N 3.37Å; D58-K66 IonicContact OD1-NZ 2.65Å; D58-K66 IonicContact OD2-NZ 3.77Å; D58-K66 PolarHBondContact OD2-NZ 3.09Å
59S94.7Very high95.2Very high79 Ų7949.5 Ų49.555%0.55229%0.29SS*.SBendtrans-101.219.617768.60000112.8N52N52-S59 WeakPolarHBondContact OD1-CA 3.11Å; N52-S59 VanDerWaalsContact OD1-CB 3.27Å; N52-S59 WeakPolarHBondContact OD1-CB 3.34Å
60Q96.2Very high95.1Very high124 Ų12452 Ų5258%0.57930%0.3SS*.  trans-93.1132.5-173.9-62.6-64.2-2700110.5N49 D58N49-Q60 WeakPolarHBondContact CB-O 3.31Å; N49-Q60 PolarHBondContact ND2-N 3.28Å; N49-Q60 PolarHBondContact ND2-O 3.36Å; N49-Q60 VanDerWaalsContact ND2-O 3.15Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.13Å; D58-Q60 PolarHBondContact OD1-N 3.37Å
61S96.9Very high95.4Very high62 Ų6249 Ų4943%0.43428%0.28SS..  trans-72.7150.5166.7-56.30000109.7G47 N49G47-S61 WeakPolarHBondContact O-CA 3.45Å; G47-S61 WeakPolarHBondContact O-CB 3.23Å; N49-S61 PolarHBondContact N-OG 2.98Å
62T95.9Very high95.2Very high22 Ų2250.7 Ų50.714%0.13529%0.292CS..EExtended strand (participates in β ladder)trans-144.2137.4179.8-177.20000110.4F46 G47 L54 V64 K66F46-T62 HydrophobicContact CB-CG2 4.26Å; G47-T62 WeakPolarHBondContact CA-O 3.4Å; G47-T62 PolarHBondContact N-O 3.38Å; G47-T62 PolarHBondContact O-N 2.99Å; L54-T62 HydrophobicContact CD1-CG2 4.09Å; T62-V64 VanDerWaalsContact CG2-O 3.3Å; T62-V64 WeakPolarHBondContact CG2-O 3.39Å; T62-V64 PolarHBondContact OG1-N 3.48Å; T62-V64 VanDerWaalsContact OG1-N 3.12Å; T62-V64 PolarHBondContact OG1-O 3.13Å; T62-K66 HydrophobicContact CG2-CD 4.09Å; T62-K66 HydrophobicContact CG2-CG 4.16Å
63I94.5Very high94.7Very high118 Ų11853.9 Ų53.961%0.60533%0.33SS*.EExtended strand (participates in β ladder)trans-91.7-12.3168.460.8171.1000111.8L12L12-I63 HydrophobicContact CD1-CB 4.35Å; L12-I63 HydrophobicContact CD1-CG2 4.12Å
64V94.3Very high94.5Very high97 Ų9757.3 Ų57.359%0.58834%0.343SS*.EExtended strand (participates in β ladder)trans-92.5127.1175.8-178.10000108.2T62 K66T62-V64 VanDerWaalsContact CG2-O 3.3Å; T62-V64 WeakPolarHBondContact CG2-O 3.39Å; T62-V64 PolarHBondContact OG1-N 3.48Å; T62-V64 VanDerWaalsContact OG1-N 3.12Å; T62-V64 PolarHBondContact OG1-O 3.13Å; V64-K66 PolarHBondContact O-N 3.32Å
65P95.9Very high94.4Very high28 Ų2861.8 Ų61.818%0.18236%0.362CS..EExtended strand (participates in β ladder)trans-52.6127.4173.7-27.736000112.9M13 Y36 F44 F46M13-P65 HydrophobicContact CE-CG 4.21Å; M13-P65 HydrophobicContact CG-CG 4.35Å; M13-P65 HydrophobicContact SD-CG 4.39Å; Y36-P65 HydrophobicContact CE1-CB 4.02Å; Y36-P65 HydrophobicContact CE1-CG 4.18Å; Y36-P65 WeakPolarHBondContact OH-CB 3.26Å; Y36-P65 WeakPolarHBondContact OH-CG 3.34Å; F44-P65 HydrophobicContact CB-CB 4.36Å; F44-P65 HydrophobicContact CD1-CB 3.98Å; F46-P65 HydrophobicContact CD1-CG 4.42Å
66K96.3Very high94.3Very high67 Ų6761.9 Ų61.929%0.29136%0.362SS..EExtended strand (participates in β ladder)trans-107129172-74.9-177.2174.9-178.90109.1F44 V45 T56 D58 T62 V64F44-K66 CarbonylContact C-O 3.58Å; F44-K66 VanDerWaalsContact CA-O 3.31Å; F44-K66 WeakPolarHBondContact CA-O 3.46Å; V45-K66 HydrophobicContact CG2-CB 4.27Å; V45-K66 PolarHBondContact N-O 3.25Å; V45-K66 PolarHBondContact O-N 3.2Å; T56-K66 HydrophobicContact CG2-CB 4.21Å; T56-K66 HydrophobicContact CG2-CD 3.69Å; D58-K66 IonicContact OD1-NZ 2.65Å; D58-K66 IonicContact OD2-NZ 3.77Å; D58-K66 PolarHBondContact OD2-NZ 3.09Å; T62-K66 HydrophobicContact CG2-CD 4.09Å; T62-K66 HydrophobicContact CG2-CG 4.16Å; V64-K66 PolarHBondContact O-N 3.32Å
67K96.4Very high94.3Very high68 Ų6863.3 Ų63.330%0.29637%0.371SS..EExtended strand (participates in β ladder)trans-70.8139.8173.7-172.2174170.5178.70110.5E42 F44E42-K67 WeakPolarHBondContact OE1-CE 3.38Å; E42-K67 IonicContact OE1-NZ 3.81Å; E42-K67 PolarHBondContact OE1-NZ 3.05Å; E42-K67 IonicContact OE2-NZ 3.68Å; F44-K67 HydrophobicContact CD1-CB 3.98Å; F44-K67 HydrophobicContact CE1-CB 3.63Å; F44-K67 HydrophobicContact CE1-CG 4.24Å; F44-K67 HydrophobicContact CZ-CB 4.06Å; F44-K67 HydrophobicContact CZ-CD 4.26Å; F44-K67 HydrophobicContact CZ-CG 4.18Å
68L96.5Very high94.4Very high6 Ų662 Ų623%0.03135%0.354CS..  trans-9486.2171.6-69.6-173.5000110V43 V45 F70 L71 W99V43-L68 HydrophobicContact CB-CB 4.41Å; V43-L68 HydrophobicContact CG1-CD1 4.09Å; V43-L68 PolarHBondContact O-N 3.28Å; V45-L68 HydrophobicContact CG1-CD1 3.55Å; V45-L68 HydrophobicContact CG1-CD2 4.25Å; V45-L68 HydrophobicContact CG1-CG 3.85Å; V45-L68 HydrophobicContact CG2-CD2 3.92Å; V45-L68 HydrophobicContact CG2-CG 4.24Å; L68-F70 HydrophobicContact CB-CD1 4.04Å; L68-F70 HydrophobicContact CB-CE1 3.63Å; L68-F70 HydrophobicContact CD1-CE1 3.89Å; L68-F70 HydrophobicContact CD1-CZ 4.32Å; L68-F70 HydrophobicContact CD2-CE1 4.13Å; L68-F70 HydrophobicContact CG-CE1 4.08Å; L68-F70 PolarHBondContact O-N 2.93Å; L68-F70 VanDerWaalsContact O-N 3.1Å; L68-L71 HydrophobicContact CB-CD1 4.23Å; L68-L71 HydrophobicContact CD1-CD1 4.17Å; L68-L71 PolarHBondContact O-N 3.13Å; L68-W99 HydrophobicContact CD1-CZ2 4.46Å
69D94.5Very high94.6Very high113 Ų11360.6 Ų60.660%0.60435%0.346SS*.G310 helixtrans-60.6-26.8-169.6-68.4-49.3000114.7L71 S72D69-L71 PolarHBondContact O-N 2.9Å; D69-L71 VanDerWaalsContact O-N 3.16Å; D69-S72 VanDerWaalsContact O-CB 3.25Å; D69-S72 WeakPolarHBondContact O-CB 3.22Å; D69-S72 PolarHBondContact O-N 3.35Å; D69-S72 PolarHBondContact O-OG 3.22Å
70F93.2Very high94.7Very high60 Ų6057.9 Ų57.926%0.26333%0.327SS..G310 helixtrans-66-13.6178.278.1-81.8000114.2L68 R74 F97 W99 P118L68-F70 HydrophobicContact CB-CD1 4.04Å; L68-F70 HydrophobicContact CB-CE1 3.63Å; L68-F70 HydrophobicContact CD1-CE1 3.89Å; L68-F70 HydrophobicContact CD1-CZ 4.32Å; L68-F70 HydrophobicContact CD2-CE1 4.13Å; L68-F70 HydrophobicContact CG-CE1 4.08Å; L68-F70 PolarHBondContact O-N 2.93Å; L68-F70 VanDerWaalsContact O-N 3.1Å; F70-R74 PolarHBondContact O-NH1 3.39Å; F70-F97 AromaticContact CD2-CD1 3.83Å; F70-F97 HydrophobicContact CD2-CD1 3.83Å; F70-F97 AromaticContact CD2-CE1 3.76Å; F70-F97 HydrophobicContact CD2-CE1 3.76Å; F70-F97 HydrophobicContact CD2-CG 4.47Å; F70-F97 HydrophobicContact CD2-CZ 4.38Å; F70-F97 HydrophobicContact CE2-CB 4.26Å; F70-F97 AromaticContact CE2-CD1 3.51Å; F70-F97 HydrophobicContact CE2-CD1 3.51Å; F70-F97 HydrophobicContact CE2-CD2 4.33Å; F70-F97 AromaticContact CE2-CE1 3.9Å; F70-F97 HydrophobicContact CE2-CE1 3.9Å; F70-F97 AromaticContact CE2-CG 3.77Å; F70-F97 HydrophobicContact CE2-CG 3.77Å; F70-F97 HydrophobicContact CE2-CZ 4.49Å; F70-W99 HydrophobicContact CZ-CH2 4.49Å; F70-W99 HydrophobicContact CZ-CZ3 4.17Å; F70-P118 HydrophobicContact CD1-CB 4.4Å; F70-P118 HydrophobicContact CD1-CG 4.01Å; F70-P118 HydrophobicContact CD2-CB 4.25Å; F70-P118 HydrophobicContact CE1-CB 3.92Å; F70-P118 HydrophobicContact CE1-CG 3.36Å; F70-P118 HydrophobicContact CE2-CB 3.72Å; F70-P118 HydrophobicContact CE2-CG 4.11Å; F70-P118 HydrophobicContact CZ-CB 3.53Å; F70-P118 HydrophobicContact CZ-CG 3.4Å; F70-P118 VanDerWaalsContact CZ-CG 3.4Å
71L93.7Very high94.8Very high1 Ų152.6 Ų52.61%0.00530%0.302CS..G310 helixtrans-98.60.8174.9-65.2170.1000112.6V43 L68 D69 G73 R74 L89 T91 F97V43-L71 HydrophobicContact CB-CB 4.35Å; V43-L71 HydrophobicContact CB-CD1 3.81Å; V43-L71 HydrophobicContact CG1-CD1 3.88Å; V43-L71 HydrophobicContact CG2-CB 3.97Å; V43-L71 HydrophobicContact CG2-CD1 3.75Å; V43-L71 HydrophobicContact CG2-CG 4.48Å; L68-L71 HydrophobicContact CB-CD1 4.23Å; L68-L71 HydrophobicContact CD1-CD1 4.17Å; L68-L71 PolarHBondContact O-N 3.13Å; D69-L71 PolarHBondContact O-N 2.9Å; D69-L71 VanDerWaalsContact O-N 3.16Å; L71-G73 PolarHBondContact O-N 3.41Å; L71-R74 PolarHBondContact O-N 2.73Å; L71-L89 HydrophobicContact CD1-CD1 3.66Å; L71-L89 HydrophobicContact CD1-CD2 4.34Å; L71-L89 HydrophobicContact CD2-CD2 3.79Å; L71-T91 HydrophobicContact CD2-CG2 3.95Å; L71-F97 HydrophobicContact CD2-CD2 4.31Å; L71-F97 HydrophobicContact CD2-CE2 4.28Å
72S89.6Confident94.7Very high61 Ų6149.7 Ų49.743%0.42728%0.282SS..THydrogen-bonded Turntrans-59.2122.6179.9-59.20000110.8D69D69-S72 VanDerWaalsContact O-CB 3.25Å; D69-S72 WeakPolarHBondContact O-CB 3.22Å; D69-S72 PolarHBondContact O-N 3.35Å; D69-S72 PolarHBondContact O-OG 3.22Å
73G85.7Confident94.6Very high89 Ų8950 Ų5092%0.91829%0.285SS*.THydrogen-bonded Turntrans79.711.1-178.200000115.1L71L71-G73 PolarHBondContact O-N 3.41Å
74R91.8Very high94Very high72 Ų7245.5 Ų45.527%0.27227%0.268SS..  trans-117131.7175.8-66173.2165.3163.9-13.6110.1F70 L71 T91 E95 F97F70-R74 PolarHBondContact O-NH1 3.39Å; L71-R74 PolarHBondContact O-N 2.73Å; R74-T91 HydrophobicContact CB-CG2 3.94Å; R74-E95 IonicContact CZ-OE2 2.64Å; R74-E95 IonicContact NE-OE2 2.74Å; R74-E95 IonicContact NH1-OE2 2.88Å; R74-E95 IonicContact NH2-OE2 3.33Å; R74-E95 PolarHBondContact NH2-OE2 3.31Å; R74-F97 VanDerWaalsContact NH1-CZ 3.32Å
75K93.8Very high93.9Very high94 Ų9440.9 Ų40.941%0.40924%0.24SC..  trans-88.6124.6179.9-177.7175.9-179.2172.60109.8V77 T91 D92K75-V77 PolarHBondContact O-N 3.02Å; K75-T91 CarbonylContact O-C 3.34Å; K75-T91 VanDerWaalsContact O-CA 3.25Å; K75-T91 WeakPolarHBondContact O-CA 3.46Å; K75-D92 HydrophobicContact CB-CB 4.01Å; K75-D92 PolarHBondContact N-OD1 3.27Å; K75-D92 VanDerWaalsContact N-OD1 3.1Å; K75-D92 PolarHBondContact O-N 3.16Å
76V95.6Very high94Very high6 Ų639.6 Ų39.64%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-75.8124.1175.4-176.10000109.9I37 V43 L89I37-V76 HydrophobicContact CD1-CB 3.66Å; I37-V76 HydrophobicContact CD1-CG1 4.03Å; I37-V76 HydrophobicContact CD1-CG2 4.03Å; V43-V76 HydrophobicContact CG2-CG2 3.71Å; V76-L89 HydrophobicContact CG1-CD1 4.04Å; V76-L89 HydrophobicContact CG1-CD2 4.05Å; V76-L89 HydrophobicContact CG1-CG 3.76Å; V76-L89 HydrophobicContact CG2-CD1 4.01Å; V76-L89 HydrophobicContact CG2-CD2 4.05Å; V76-L89 HydrophobicContact CG2-CG 4.31Å
77V95.6Very high94.1Very high65 Ų6536.4 Ų36.439%0.39422%0.218SC..EExtended strand (participates in β ladder)trans-102.9-31.6178.6-630000112.9K75 A90 T91 D92K75-V77 PolarHBondContact O-N 3.02Å; V77-A90 HydrophobicContact CG2-CB 4.05Å; V77-A90 WeakPolarHBondContact CG2-O 3.19Å; V77-A90 PolarHBondContact N-O 3.47Å; V77-T91 WeakPolarHBondContact CG2-O 3.42Å; V77-D92 HydrophobicContact CG1-CB 3.73Å
78S97.3Very high94.2Very high21 Ų2133.1 Ų33.115%0.14720%0.204CC..EExtended strand (participates in β ladder)trans-147.3144.6178.9-167.70000111.4L89 A90 V133S78-L89 WeakPolarHBondContact O-CA 3.49Å; S78-A90 PolarHBondContact N-O 3.29Å; S78-A90 PolarHBondContact O-N 3.1Å; S78-V133 WeakPolarHBondContact OG-CG2 3.09Å; S78-V133 PolarHBondContact OG-N 3.1Å; S78-V133 VanDerWaalsContact OG-N 3.11Å
79L97.6Very high94.3Very high19 Ų1932.9 Ų32.910%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-143132.3179.9-179.196000108.4C25 I35 V87 L88 L89 P345C25-L79 HydrophobicContact CB-CD2 3.23Å; I35-L79 HydrophobicContact CB-CD2 4.4Å; I35-L79 HydrophobicContact CD1-CD1 3.97Å; I35-L79 HydrophobicContact CD1-CD2 4.37Å; I35-L79 HydrophobicContact CG2-CD1 4.33Å; I35-L79 HydrophobicContact CG2-CD2 4.47Å; L79-V87 HydrophobicContact CD1-CG1 3.9Å; L79-L88 WeakPolarHBondContact CA-O 3.47Å; L79-L89 HydrophobicContact CD1-CB 4.07Å; L79-L89 HydrophobicContact CD1-CD1 3.78Å; L79-L89 HydrophobicContact CD1-CG 4.1Å; L79-P345 HydrophobicContact CB-CG 4.01Å; L79-P345 HydrophobicContact CD2-CG 4.45Å
80S97.9Very high94.4Very high22 Ų2227.5 Ų27.515%0.15417%0.174CC..EExtended strand (participates in β ladder)trans-143.7157.5174.1-165.50000110.7V87 L88 V133 A134 C135S80-V87 WeakPolarHBondContact O-CA 3.32Å; S80-L88 PolarHBondContact N-O 3.39Å; S80-L88 PolarHBondContact O-N 3.2Å; S80-V133 WeakPolarHBondContact CB-O 3.47Å; S80-A134 WeakPolarHBondContact OG-CA 3.31Å; S80-C135 PolarHBondContact OG-N 2.87Å
81Y97.6Very high94.6Very high13 Ų1324.7 Ų24.75%0.05116%0.161CC..EExtended strand (participates in β ladder)trans-140.2153.5-178.165.1-94.4000111F27 H86 C135 C292 H293 V341 M342F27-Y81 HydrophobicContact CB-CD1 3.38Å; F27-Y81 HydrophobicContact CB-CD2 3.47Å; F27-Y81 VanDerWaalsContact CB-CD2 3.47Å; F27-Y81 HydrophobicContact CB-CE1 3.49Å; F27-Y81 VanDerWaalsContact CB-CE1 3.49Å; F27-Y81 HydrophobicContact CB-CE2 3.58Å; F27-Y81 HydrophobicContact CB-CG 3.37Å; F27-Y81 HydrophobicContact CD2-CD2 4.39Å; F27-Y81 HydrophobicContact CD2-CG 4.14Å; F27-Y81 HydrophobicContact CG-CD1 4.13Å; F27-Y81 HydrophobicContact CG-CD2 4.33Å; F27-Y81 AromaticContact CG-CG 3.96Å; F27-Y81 HydrophobicContact CG-CG 3.96Å; Y81-H86 CarbonylContact C-O 3.54Å; Y81-H86 WeakPolarHBondContact CA-O 3.47Å; Y81-C135 WeakPolarHBondContact O-CB 3.45Å; Y81-C292 PolarHBondContact OH-SG 3.24Å; Y81-H293 AromaticContact CD2-CE1 3.77Å; Y81-H293 AromaticContact CE2-CE1 3.49Å; Y81-H293 VanDerWaalsContact CE2-CE1 3.49Å; Y81-H293 WeakPolarHBondContact CE2-CE1 3.42Å; Y81-H293 PolarHBondContact O-CE1 2.83Å; Y81-H293 PolarHBondContact O-NE2 3.22Å; Y81-V341 WeakPolarHBondContact OH-CB 3.05Å; Y81-V341 WeakPolarHBondContact OH-CG2 3.33Å; Y81-M342 PolarHBondContact OH-O 2.99Å
82G95.8Very high94.6Very high2 Ų228 Ų282%0.02118%0.179CC..  trans-119-165.9176.400000115.3P85 H86 G136G82-P85 WeakPolarHBondContact O-CA 3.31Å; G82-H86 PolarHBondContact N-O 3.09Å; G82-G136 WeakPolarHBondContact CA-O 3.2Å
83S92Very high94.8Very high27 Ų2729 Ų2919%0.18918%0.18CC..SBendtrans-82.5142.3179.5-62.50000112.4S137 Q190S83-S137 WeakPolarHBondContact CB-O 3Å; S83-S137 PolarHBondContact N-O 3.26Å; S83-S137 VanDerWaalsContact O-O 3.05Å; S83-Q190 PolarHBondContact OG-NE2 2.9Å; S83-Q190 PolarHBondContact OG-OE1 3.41Å
84G82.6Confident95.2Very high25 Ų2525.1 Ų25.126%0.25814%0.139SC..SBendtrans56.676.9-168.600000107.2H86 H101G84-H86 PolarHBondContact O-N 3.06Å; G84-H101 WeakPolarHBondContact O-CB 3.48Å
85P92.6Very high95.4Very high0 Ų024.7 Ų24.70%014%0.14CC..  trans-64.7128.6-131.3-25.534000113.3F27 C53 G82 H101F27-P85 HydrophobicContact CD2-CB 3.93Å; F27-P85 HydrophobicContact CD2-CG 4.43Å; F27-P85 HydrophobicContact CE2-CB 3.93Å; C53-P85 HydrophobicContact CB-CB 3.7Å; C53-P85 HydrophobicContact CB-CG 4.44Å; C53-P85 WeakPolarHBondContact CB-O 3.5Å; G82-P85 WeakPolarHBondContact O-CA 3.31Å; P85-H101 PolarHBondContact O-N 3.35Å
86H97.6Very high95.6Very high0 Ų020.4 Ų20.40%012%0.122CC..EExtended strand (participates in β ladder)trans-109.3149.2160.367.9-78.7000107.4Y81 G82 G84 W99 H101 Q106 L107 S140Y81-H86 CarbonylContact C-O 3.54Å; Y81-H86 WeakPolarHBondContact CA-O 3.47Å; G82-H86 PolarHBondContact N-O 3.09Å; G84-H86 PolarHBondContact O-N 3.06Å; H86-W99 CarbonylContact C-O 3.57Å; H86-W99 VanDerWaalsContact CA-O 3.3Å; H86-W99 WeakPolarHBondContact CA-O 3.22Å; H86-H101 HydrophobicContact CB-CB 4.45Å; H86-H101 WeakPolarHBondContact CB-O 3.27Å; H86-Q106 HydrophobicContact CB-CG 4.02Å; H86-L107 HydrophobicContact CB-CD2 4.02Å; H86-S140 PolarHBondContact NE2-OG 3.41Å
87V98.3Very high95.7Very high0 Ų020.4 Ų20.40%012%0.121CC..EExtended strand (participates in β ladder)trans-123.4136.7-176.9-179.10000108.6F27 I35 L79 S80 A98 W99F27-V87 HydrophobicContact CE2-CG2 3.9Å; F27-V87 HydrophobicContact CZ-CG2 4.09Å; I35-V87 HydrophobicContact CD1-CG1 3.8Å; I35-V87 HydrophobicContact CD1-CG2 4.16Å; L79-V87 HydrophobicContact CD1-CG1 3.9Å; S80-V87 WeakPolarHBondContact O-CA 3.32Å; V87-A98 VanDerWaalsContact O-CA 3.3Å; V87-A98 WeakPolarHBondContact O-CA 3.4Å; V87-W99 HydrophobicContact CB-CD2 4.1Å; V87-W99 HydrophobicContact CB-CH2 4.33Å; V87-W99 HydrophobicContact CB-CZ2 3.74Å; V87-W99 HydrophobicContact CG1-CH2 3.7Å; V87-W99 HydrophobicContact CG1-CZ2 3.37Å; V87-W99 HydrophobicContact CG1-CZ3 4.38Å; V87-W99 HydrophobicContact CG2-CZ2 4.35Å; V87-W99 PolarHBondContact N-O 3.37Å; V87-W99 PolarHBondContact O-N 3.46Å; V87-W99 VanDerWaalsContact O-N 3.16Å
88L98.5Very high95.9Very high0 Ų017.3 Ų17.30%010%0.102CC..EExtended strand (participates in β ladder)trans-113.5139.8165.2-65-173.4000109.7L79 S80 L96 F97 A98 V133 C135 W152L79-L88 WeakPolarHBondContact CA-O 3.47Å; S80-L88 PolarHBondContact N-O 3.39Å; S80-L88 PolarHBondContact O-N 3.2Å; L88-L96 HydrophobicContact CB-CD1 4.33Å; L88-F97 WeakPolarHBondContact CA-O 3.48Å; L88-A98 HydrophobicContact CD2-CB 3.52Å; L88-V133 HydrophobicContact CB-CB 3.9Å; L88-V133 HydrophobicContact CB-CG1 4.13Å; L88-V133 HydrophobicContact CB-CG2 3.95Å; L88-V133 HydrophobicContact CD1-CB 4.13Å; L88-V133 HydrophobicContact CD1-CG1 4.35Å; L88-C135 VanDerWaalsContact CG-SG 3.54Å; L88-W152 HydrophobicContact CD1-CH2 4.04Å; L88-W152 HydrophobicContact CD1-CZ2 3.76Å; L88-W152 HydrophobicContact CD2-CZ2 3.98Å
89L98.1Very high95.9Very high1 Ų116.3 Ų16.31%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-140.4125.7179.1-175.4156.2000109.4L71 V76 S78 L79 T91 F97 W99L71-L89 HydrophobicContact CD1-CD1 3.66Å; L71-L89 HydrophobicContact CD1-CD2 4.34Å; L71-L89 HydrophobicContact CD2-CD2 3.79Å; V76-L89 HydrophobicContact CG1-CD1 4.04Å; V76-L89 HydrophobicContact CG1-CD2 4.05Å; V76-L89 HydrophobicContact CG1-CG 3.76Å; V76-L89 HydrophobicContact CG2-CD1 4.01Å; V76-L89 HydrophobicContact CG2-CD2 4.05Å; V76-L89 HydrophobicContact CG2-CG 4.31Å; S78-L89 WeakPolarHBondContact O-CA 3.49Å; L79-L89 HydrophobicContact CD1-CB 4.07Å; L79-L89 HydrophobicContact CD1-CD1 3.78Å; L79-L89 HydrophobicContact CD1-CG 4.1Å; L89-T91 HydrophobicContact CD2-CG2 3.77Å; L89-F97 HydrophobicContact CD2-CD2 4.17Å; L89-F97 PolarHBondContact N-O 2.96Å; L89-F97 PolarHBondContact O-N 3Å; L89-W99 HydrophobicContact CB-CH2 3.8Å; L89-W99 HydrophobicContact CB-CZ3 3.89Å; L89-W99 HydrophobicContact CD1-CH2 3.85Å; L89-W99 HydrophobicContact CG-CH2 4.48Å
90A97.8Very high96Very high0 Ų015.4 Ų15.40%09%0.091CC..EExtended strand (participates in β ladder)trans-107.7139.1173.800000111.1V77 S78 E95 V130 V133V77-A90 HydrophobicContact CG2-CB 4.05Å; V77-A90 WeakPolarHBondContact CG2-O 3.19Å; V77-A90 PolarHBondContact N-O 3.47Å; S78-A90 PolarHBondContact N-O 3.29Å; S78-A90 PolarHBondContact O-N 3.1Å; A90-E95 WeakPolarHBondContact CA-O 3.5Å; A90-V130 HydrophobicContact CB-CB 4.37Å; A90-V130 HydrophobicContact CB-CG1 3.84Å; A90-V133 HydrophobicContact CB-CG1 4.17Å
91T96.6Very high96Very high0 Ų015.9 Ų15.90%09%0.09CC..EExtended strand (participates in β ladder)trans-104.2164.7177.647.20000112.1L71 R74 K75 V77 L89 D93 G94 E95 F97L71-T91 HydrophobicContact CD2-CG2 3.95Å; R74-T91 HydrophobicContact CB-CG2 3.94Å; K75-T91 CarbonylContact O-C 3.34Å; K75-T91 VanDerWaalsContact O-CA 3.25Å; K75-T91 WeakPolarHBondContact O-CA 3.46Å; V77-T91 WeakPolarHBondContact CG2-O 3.42Å; L89-T91 HydrophobicContact CD2-CG2 3.77Å; T91-D93 VanDerWaalsContact C-N 3.28Å; T91-D93 VanDerWaalsContact CB-OD1 3.26Å; T91-D93 WeakPolarHBondContact CB-OD1 3.45Å; T91-D93 PolarHBondContact O-N 3.32Å; T91-D93 PolarHBondContact OG1-OD1 2.66Å; T91-G94 WeakPolarHBondContact O-CA 3.3Å; T91-G94 PolarHBondContact O-N 3.11Å; T91-E95 PolarHBondContact N-O 2.82Å; T91-E95 WeakPolarHBondContact OG1-CB 3.44Å; T91-E95 PolarHBondContact OG1-N 3.4Å; T91-E95 PolarHBondContact OG1-O 3.37Å; T91-F97 HydrophobicContact CG2-CD2 4.37Å; T91-F97 HydrophobicContact CG2-CE2 3.99Å
92D94.9Very high96Very high71 Ų7115.2 Ų15.238%0.389%0.088SC..THydrogen-bonded Turntrans-67.6-24.7-174.665-40.8000114.6K75 V77 G94 K129K75-D92 HydrophobicContact CB-CB 4.01Å; K75-D92 PolarHBondContact N-OD1 3.27Å; K75-D92 VanDerWaalsContact N-OD1 3.1Å; K75-D92 PolarHBondContact O-N 3.16Å; V77-D92 HydrophobicContact CG1-CB 3.73Å; D92-G94 PolarHBondContact O-N 3.42Å; D92-K129 WeakPolarHBondContact O-CE 3.48Å; D92-K129 PolarHBondContact O-NZ 3.28Å
93D93.2Very high96.1Very high83 Ų8316.7 Ų16.744%0.44410%0.103SC..THydrogen-bonded Turntrans-73.8-9.616862.8-1000113.3T91 E95T91-D93 VanDerWaalsContact C-N 3.28Å; T91-D93 VanDerWaalsContact CB-OD1 3.26Å; T91-D93 WeakPolarHBondContact CB-OD1 3.45Å; T91-D93 PolarHBondContact O-N 3.32Å; T91-D93 PolarHBondContact OG1-OD1 2.66Å; D93-E95 PolarHBondContact OD1-N 3.3Å
94G94.8Very high96.3Very high6 Ų619.8 Ų19.86%0.06211%0.111CC..  trans93.72.9177.300000115.5T91 D92 V130T91-G94 WeakPolarHBondContact O-CA 3.3Å; T91-G94 PolarHBondContact O-N 3.11Å; D92-G94 PolarHBondContact O-N 3.42Å; G94-V130 PolarHBondContact O-N 2.95Å; G94-V130 VanDerWaalsContact O-N 3.16Å
95E96Very high97Very high63 Ų6319 Ų1929%0.29410%0.102SC..  trans-68.2145.6174.9-63.4-165.3123.300111.6R74 A90 T91 D93 F97R74-E95 IonicContact CZ-OE2 2.64Å; R74-E95 IonicContact NE-OE2 2.74Å; R74-E95 IonicContact NH1-OE2 2.88Å; R74-E95 IonicContact NH2-OE2 3.33Å; R74-E95 PolarHBondContact NH2-OE2 3.31Å; A90-E95 WeakPolarHBondContact CA-O 3.5Å; T91-E95 PolarHBondContact N-O 2.82Å; T91-E95 WeakPolarHBondContact OG1-CB 3.44Å; T91-E95 PolarHBondContact OG1-N 3.4Å; T91-E95 PolarHBondContact OG1-O 3.37Å; D93-E95 PolarHBondContact OD1-N 3.3Å; E95-F97 HydrophobicContact CB-CE2 3.78Å; E95-F97 HydrophobicContact CB-CZ 4.17Å
96L97.9Very high97.3Very high4 Ų419 Ų192%0.02110%0.102CC..EExtended strand (participates in β ladder)trans-116.9124.8177.6175.662.6000110.1L88 V120 V121 L125 V130 V133 A142 W152L88-L96 HydrophobicContact CB-CD1 4.33Å; L96-V120 WeakPolarHBondContact O-CA 3.45Å; L96-V121 HydrophobicContact CB-CB 4.39Å; L96-V121 HydrophobicContact CD2-CB 3.95Å; L96-V121 HydrophobicContact CD2-CG1 4.21Å; L96-V121 HydrophobicContact CD2-CG2 4.37Å; L96-V121 HydrophobicContact CG-CB 4.02Å; L96-V121 HydrophobicContact CG-CG2 4.2Å; L96-V121 PolarHBondContact O-N 3.2Å; L96-L125 HydrophobicContact CD2-CD1 3.66Å; L96-V130 HydrophobicContact CB-CG2 4.19Å; L96-V133 HydrophobicContact CD1-CG1 3.47Å; L96-V133 VanDerWaalsContact CD1-CG1 3.47Å; L96-A142 HydrophobicContact CD2-CB 4.22Å; L96-W152 HydrophobicContact CD2-CH2 3.59Å; L96-W152 HydrophobicContact CD2-CZ2 4.02Å
97F98.1Very high97.3Very high6 Ų619 Ų193%0.02610%0.102CC..EExtended strand (participates in β ladder)trans-109.6144.7175.3-60.9-91.5000110.8F70 L71 R74 L88 L89 T91 E95 W99 P118 V119 V120F70-F97 AromaticContact CD2-CD1 3.83Å; F70-F97 HydrophobicContact CD2-CD1 3.83Å; F70-F97 AromaticContact CD2-CE1 3.76Å; F70-F97 HydrophobicContact CD2-CE1 3.76Å; F70-F97 HydrophobicContact CD2-CG 4.47Å; F70-F97 HydrophobicContact CD2-CZ 4.38Å; F70-F97 HydrophobicContact CE2-CB 4.26Å; F70-F97 AromaticContact CE2-CD1 3.51Å; F70-F97 HydrophobicContact CE2-CD1 3.51Å; F70-F97 HydrophobicContact CE2-CD2 4.33Å; F70-F97 AromaticContact CE2-CE1 3.9Å; F70-F97 HydrophobicContact CE2-CE1 3.9Å; F70-F97 AromaticContact CE2-CG 3.77Å; F70-F97 HydrophobicContact CE2-CG 3.77Å; F70-F97 HydrophobicContact CE2-CZ 4.49Å; L71-F97 HydrophobicContact CD2-CD2 4.31Å; L71-F97 HydrophobicContact CD2-CE2 4.28Å; R74-F97 VanDerWaalsContact NH1-CZ 3.32Å; L88-F97 WeakPolarHBondContact CA-O 3.48Å; L89-F97 HydrophobicContact CD2-CD2 4.17Å; L89-F97 PolarHBondContact N-O 2.96Å; L89-F97 PolarHBondContact O-N 3Å; T91-F97 HydrophobicContact CG2-CD2 4.37Å; T91-F97 HydrophobicContact CG2-CE2 3.99Å; E95-F97 HydrophobicContact CB-CE2 3.78Å; E95-F97 HydrophobicContact CB-CZ 4.17Å; F97-W99 HydrophobicContact CB-CE3 4.33Å; F97-W99 HydrophobicContact CB-CZ3 3.9Å; F97-P118 HydrophobicContact CD1-CB 4.49Å; F97-V119 WeakPolarHBondContact CA-O 3.5Å; F97-V120 HydrophobicContact CD1-CG2 3.96Å; F97-V120 HydrophobicContact CE1-CG2 3.48Å; F97-V120 VanDerWaalsContact CE1-CG2 3.48Å; F97-V120 HydrophobicContact CZ-CG2 4.14Å
98A98.3Very high97.3Very high0 Ų019 Ų190%010%0.102CC..EExtended strand (participates in β ladder)trans-136.8143.4174.400000111.7V87 L88 L107 V119 V121V87-A98 VanDerWaalsContact O-CA 3.3Å; V87-A98 WeakPolarHBondContact O-CA 3.4Å; L88-A98 HydrophobicContact CD2-CB 3.52Å; A98-L107 HydrophobicContact CB-CB 4.14Å; A98-L107 HydrophobicContact CB-CD2 4Å; A98-V119 HydrophobicContact CB-CG1 4.43Å; A98-V119 PolarHBondContact N-O 3.3Å; A98-V119 WeakPolarHBondContact O-CG1 3.41Å; A98-V119 PolarHBondContact O-N 3Å; A98-V121 HydrophobicContact CB-CG2 3.6Å
99W98.4Very high97.2Very high0 Ų021.6 Ų21.60%012%0.116CC..EExtended strand (participates in β ladder)trans-157.3177.6170.361.593.8000112I35 C53 L68 F70 H86 V87 L89 F97 L107 P118I35-W99 HydrophobicContact CD1-CZ2 4.08Å; C53-W99 PolarHBondContact O-NE1 3.07Å; L68-W99 HydrophobicContact CD1-CZ2 4.46Å; F70-W99 HydrophobicContact CZ-CH2 4.49Å; F70-W99 HydrophobicContact CZ-CZ3 4.17Å; H86-W99 CarbonylContact C-O 3.57Å; H86-W99 VanDerWaalsContact CA-O 3.3Å; H86-W99 WeakPolarHBondContact CA-O 3.22Å; V87-W99 HydrophobicContact CB-CD2 4.1Å; V87-W99 HydrophobicContact CB-CH2 4.33Å; V87-W99 HydrophobicContact CB-CZ2 3.74Å; V87-W99 HydrophobicContact CG1-CH2 3.7Å; V87-W99 HydrophobicContact CG1-CZ2 3.37Å; V87-W99 HydrophobicContact CG1-CZ3 4.38Å; V87-W99 HydrophobicContact CG2-CZ2 4.35Å; V87-W99 PolarHBondContact N-O 3.37Å; V87-W99 PolarHBondContact O-N 3.46Å; V87-W99 VanDerWaalsContact O-N 3.16Å; L89-W99 HydrophobicContact CB-CH2 3.8Å; L89-W99 HydrophobicContact CB-CZ3 3.89Å; L89-W99 HydrophobicContact CD1-CH2 3.85Å; L89-W99 HydrophobicContact CG-CH2 4.48Å; F97-W99 HydrophobicContact CB-CE3 4.33Å; F97-W99 HydrophobicContact CB-CZ3 3.9Å; W99-L107 VanDerWaalsContact C-CD2 3.49Å; W99-L107 VanDerWaalsContact O-CD2 3.27Å; W99-L107 WeakPolarHBondContact O-CD2 2.93Å; W99-P118 HydrophobicContact CB-CG 4.44Å; W99-P118 HydrophobicContact CD2-CB 4.42Å; W99-P118 HydrophobicContact CD2-CG 4Å; W99-P118 HydrophobicContact CE3-CB 3.8Å; W99-P118 HydrophobicContact CE3-CG 3.8Å; W99-P118 HydrophobicContact CG-CG 4.3Å; W99-P118 HydrophobicContact CZ3-CB 4.38Å; W99-P118 HydrophobicContact CZ3-CG 4.39Å
100G98Very high97.1Very high0 Ų023.6 Ų23.60%014%0.137CC..EExtended strand (participates in β ladder)trans93.4-140.3-179.400000112.5S51 G115S51-G100 CarbonylContact O-C 3.45Å; S51-G100 WeakPolarHBondContact O-CA 3.35Å; G100-G115 PolarHBondContact N-O 3.33Å; G100-G115 PolarHBondContact O-N 3.22Å
101H97.9Very high97.1Very high32 Ų3226.1 Ų26.115%0.14815%0.152CC..  trans-66.5138.4-173.9-17661.3000113.1S51 G84 P85 H86 Q106 Q114 H138S51-H101 PolarHBondContact O-N 3.31Å; G84-H101 WeakPolarHBondContact O-CB 3.48Å; P85-H101 PolarHBondContact O-N 3.35Å; H86-H101 HydrophobicContact CB-CB 4.45Å; H86-H101 WeakPolarHBondContact CB-O 3.27Å; H101-Q106 PolarHBondContact CD2-NE2 3.48Å; H101-Q106 PolarHBondContact NE2-NE2 3.47Å; H101-Q106 WeakPolarHBondContact O-CG 3.5Å; H101-Q106 PolarHBondContact O-NE2 2.91Å; H101-Q114 PolarHBondContact ND1-OE1 3.3Å; H101-H138 AromaticContact CD2-ND1 3.84Å
102N97.9Very high97.1Very high0 Ų029.8 Ų29.80%018%0.175CC..  trans-135.417.2179.3-156.523.1000116.1Y104 S105 Q106 L107 N109 T111 T112 N113N102-Y104 PolarHBondContact O-N 2.89Å; N102-S105 PolarHBondContact O-N 2.89Å; N102-S105 WeakPolarHBondContact OD1-CA 3.47Å; N102-Q106 VanDerWaalsContact N-NE2 3.12Å; N102-Q106 PolarHBondContact OD1-N 2.81Å; N102-L107 HydrophobicContact CB-CB 4.45Å; N102-L107 HydrophobicContact CB-CD1 3.65Å; N102-L107 HydrophobicContact CB-CG 3.67Å; N102-L107 VanDerWaalsContact CG-CG 3.43Å; N102-L107 WeakPolarHBondContact OD1-CB 3.49Å; N102-L107 WeakPolarHBondContact OD1-CG 3.37Å; N102-L107 PolarHBondContact OD1-N 2.92Å; N102-N109 PolarHBondContact ND2-OD1 3.47Å; N102-T111 PolarHBondContact ND2-O 3.49Å; N102-T111 PolarHBondContact ND2-OG1 3.46Å; N102-T112 CarbonylContact O-C 3.58Å; N102-T112 VanDerWaalsContact O-CA 3.23Å; N102-T112 WeakPolarHBondContact O-CA 3.47Å; N102-N113 WeakPolarHBondContact CB-O 3.45Å; N102-N113 PolarHBondContact ND2-N 3.05Å; N102-N113 PolarHBondContact ND2-O 3.03Å
103G97.6Very high97.2Very high32 Ų3231.9 Ų31.933%0.3319%0.186SC..THydrogen-bonded Turntrans-54.7-25.7-175.200000115.4
104Y97.6Very high97.3Very high92 Ų9231.9 Ų31.936%0.36118%0.183SC..THydrogen-bonded Turntrans-118.923178.7-51.2-82.4000113.4N102 Q106 H138 G153 Y154N102-Y104 PolarHBondContact O-N 2.89Å; Y104-Q106 VanDerWaalsContact C-N 3.31Å; Y104-Q106 VanDerWaalsContact CB-OE1 3.32Å; Y104-Q106 PolarHBondContact O-N 3.3Å; Y104-H138 HydrophobicContact CD2-CB 3.65Å; Y104-H138 AromaticContact CD2-CD2 3.94Å; Y104-H138 AromaticContact CD2-CG 3.59Å; Y104-H138 HydrophobicContact CE2-CB 4.36Å; Y104-H138 AromaticContact CE2-CD2 3.74Å; Y104-H138 AromaticContact CE2-CG 3.84Å; Y104-H138 HydrophobicContact CG-CB 4.27Å; Y104-G153 CarbonylContact O-C 3.56Å; Y104-G153 VanDerWaalsContact O-CA 3.27Å; Y104-G153 WeakPolarHBondContact O-CA 3.37Å; Y104-Y154 AromaticContact CD1-CD2 3.47Å; Y104-Y154 HydrophobicContact CD1-CD2 3.47Å; Y104-Y154 VanDerWaalsContact CD1-CD2 3.47Å; Y104-Y154 AromaticContact CD1-CE2 3.93Å; Y104-Y154 HydrophobicContact CD1-CE2 3.93Å; Y104-Y154 HydrophobicContact CD1-CG 4.3Å; Y104-Y154 HydrophobicContact CE1-CD2 4.01Å; Y104-Y154 HydrophobicContact CE1-CE2 4.02Å; Y104-Y154 AromaticContact CG-CD2 3.81Å; Y104-Y154 HydrophobicContact CG-CD2 3.81Å; Y104-Y154 HydrophobicContact CG-CG 4.21Å; Y104-Y154 PolarHBondContact O-N 3.07Å
105S97.6Very high97.3Very high9 Ų932 Ų326%0.06318%0.184CC..SBendtrans66.922.5-178.5-39.10000115.5N102 L107 G108 T111 T112N102-S105 PolarHBondContact O-N 2.89Å; N102-S105 WeakPolarHBondContact OD1-CA 3.47Å; S105-L107 PolarHBondContact O-N 3.12Å; S105-L107 VanDerWaalsContact O-N 3.11Å; S105-G108 PolarHBondContact O-N 2.99Å; S105-T111 PolarHBondContact OG-O 3.3Å; S105-T112 WeakPolarHBondContact OG-CG2 3.47Å
106Q97.8Very high97.3Very high0 Ų031.7 Ų31.70%019%0.187CC..THydrogen-bonded Turntrans-61.1-13.4176.652.1-93.7-5.900114.6H86 H101 N102 Y104 G108 H138 S140 W152H86-Q106 HydrophobicContact CB-CG 4.02Å; H101-Q106 PolarHBondContact CD2-NE2 3.48Å; H101-Q106 PolarHBondContact NE2-NE2 3.47Å; H101-Q106 WeakPolarHBondContact O-CG 3.5Å; H101-Q106 PolarHBondContact O-NE2 2.91Å; N102-Q106 VanDerWaalsContact N-NE2 3.12Å; N102-Q106 PolarHBondContact OD1-N 2.81Å; Y104-Q106 VanDerWaalsContact C-N 3.31Å; Y104-Q106 VanDerWaalsContact CB-OE1 3.32Å; Y104-Q106 PolarHBondContact O-N 3.3Å; Q106-G108 VanDerWaalsContact C-N 3.31Å; Q106-H138 PolarHBondContact OE1-O 3.05Å; Q106-S140 PolarHBondContact O-OG 3.07Å; Q106-W152 PolarHBondContact O-NE1 3.1Å
107L98.2Very high97.1Very high0 Ų034 Ų340%021%0.207CC..THydrogen-bonded Turntrans-81-10172.7-55.5-172.7000113.6H86 A98 W99 N102 S105 N109 V121H86-L107 HydrophobicContact CB-CD2 4.02Å; A98-L107 HydrophobicContact CB-CB 4.14Å; A98-L107 HydrophobicContact CB-CD2 4Å; W99-L107 VanDerWaalsContact C-CD2 3.49Å; W99-L107 VanDerWaalsContact O-CD2 3.27Å; W99-L107 WeakPolarHBondContact O-CD2 2.93Å; N102-L107 HydrophobicContact CB-CB 4.45Å; N102-L107 HydrophobicContact CB-CD1 3.65Å; N102-L107 HydrophobicContact CB-CG 3.67Å; N102-L107 VanDerWaalsContact CG-CG 3.43Å; N102-L107 WeakPolarHBondContact OD1-CB 3.49Å; N102-L107 WeakPolarHBondContact OD1-CG 3.37Å; N102-L107 PolarHBondContact OD1-N 2.92Å; S105-L107 PolarHBondContact O-N 3.12Å; S105-L107 VanDerWaalsContact O-N 3.11Å; L107-N109 PolarHBondContact O-N 3.04Å; L107-N109 VanDerWaalsContact O-N 3.13Å; L107-V121 WeakPolarHBondContact O-CG2 3.46Å
108G97.8Very high97Very high1 Ų135.4 Ų35.41%0.0122%0.216CC..  trans67.814.817300000115.1S105 Q106 W152 P169 P171S105-G108 PolarHBondContact O-N 2.99Å; Q106-G108 VanDerWaalsContact C-N 3.31Å; G108-W152 VanDerWaalsContact N-CD1 3.33Å; G108-P169 CarbonylContact C-O 3.5Å; G108-P169 VanDerWaalsContact CA-O 3.31Å; G108-P169 WeakPolarHBondContact CA-O 3.29Å; G108-P171 VanDerWaalsContact O-CD 3.31Å; G108-P171 WeakPolarHBondContact O-CD 3.21Å
109N96.4Very high97Very high53 Ų5337.6 Ų37.628%0.28323%0.23SC..SBendtrans-96.914.2-173.869.52000113.9N102 L107 T111 V119 P169N102-N109 PolarHBondContact ND2-OD1 3.47Å; L107-N109 PolarHBondContact O-N 3.04Å; L107-N109 VanDerWaalsContact O-N 3.13Å; N109-T111 VanDerWaalsContact C-N 3.29Å; N109-T111 PolarHBondContact O-N 3.03Å; N109-T111 PolarHBondContact OD1-N 3.17Å; N109-T111 VanDerWaalsContact OD1-N 3.08Å; N109-T111 PolarHBondContact OD1-OG1 3.02Å; N109-V119 HydrophobicContact CB-CG1 4.05Å; N109-V119 HydrophobicContact CB-CG2 4.39Å; N109-P169 PolarHBondContact N-O 3.16Å
110G96.9Very high96.8Very high44 Ų4440.7 Ų40.745%0.45425%0.248SC..SBendtrans80.92.2-178.900000114.9P169G110-P169 WeakPolarHBondContact CA-O 3.35Å; G110-P169 PolarHBondContact N-O 2.91Å
111T96.3Very high96.8Very high52 Ų5240.9 Ų40.932%0.31925%0.25SC..SBendtrans-129.8172.6-175.379.30000112.3N102 S105 N109 N113N102-T111 PolarHBondContact ND2-O 3.49Å; N102-T111 PolarHBondContact ND2-OG1 3.46Å; S105-T111 PolarHBondContact OG-O 3.3Å; N109-T111 VanDerWaalsContact C-N 3.29Å; N109-T111 PolarHBondContact O-N 3.03Å; N109-T111 PolarHBondContact OD1-N 3.17Å; N109-T111 VanDerWaalsContact OD1-N 3.08Å; N109-T111 PolarHBondContact OD1-OG1 3.02Å; T111-N113 PolarHBondContact OG1-N 3.14Å
112T97.2Very high96.5Very high78 Ų7842.7 Ų42.748%0.47927%0.266SS..  trans-111.412.3169.151.90000113.1N102 S105N102-T112 CarbonylContact O-C 3.58Å; N102-T112 VanDerWaalsContact O-CA 3.23Å; N102-T112 WeakPolarHBondContact O-CA 3.47Å; S105-T112 WeakPolarHBondContact OG-CG2 3.47Å
113N96.4Very high96.1Very high115 Ų11544.5 Ų44.562%0.61528%0.281SS*.SBendtrans-76.8135.3-179.2-67.7-23.9000110.6N102 T111 G115N102-N113 WeakPolarHBondContact CB-O 3.45Å; N102-N113 PolarHBondContact ND2-N 3.05Å; N102-N113 PolarHBondContact ND2-O 3.03Å; T111-N113 PolarHBondContact OG1-N 3.14Å; N113-G115 PolarHBondContact O-N 3.31Å
114Q95.9Very high95.9Very high82 Ų8247.5 Ų47.538%0.38329%0.289SS..  trans-56.7135.6177.4-50.5-58.8-22.500110.5H101 V116H101-Q114 PolarHBondContact ND1-OE1 3.3Å; Q114-V116 PolarHBondContact O-N 2.94Å
115G95.7Very high95.7Very high8 Ų843.6 Ų43.68%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-8587.7-179.800000110.9G100 N113 A117G100-G115 PolarHBondContact N-O 3.33Å; G100-G115 PolarHBondContact O-N 3.22Å; N113-G115 PolarHBondContact O-N 3.31Å; G115-A117 VanDerWaalsContact C-N 3.29Å
116V95Very high95.3Very high57 Ų5748.4 Ų48.435%0.34530%0.298SS..EExtended strand (participates in β ladder)trans-68-33.3177.2-1720000111.8N52 G57 Q114N52-V116 HydrophobicContact CB-CB 4.41Å; N52-V116 HydrophobicContact CB-CG1 4.5Å; N52-V116 HydrophobicContact CB-CG2 4.48Å; G57-V116 VanDerWaalsContact C-CG1 3.45Å; G57-V116 WeakPolarHBondContact CA-O 3.38Å; G57-V116 PolarHBondContact N-O 2.89Å; Q114-V116 PolarHBondContact O-N 2.94Å
117A94.5Very high94.9Very high53 Ų5356.1 Ų56.144%0.43834%0.34SS..EExtended strand (participates in β ladder)trans-123.5154.7173.200000110.3G115G115-A117 VanDerWaalsContact C-N 3.29Å
118P96.4Very high94.8Very high35 Ų3559.3 Ų59.323%0.22735%0.353CS..EExtended strand (participates in β ladder)trans-55.9132.1173.9-2939.6000112.7G55 F70 F97 W99G55-P118 WeakPolarHBondContact O-CD 3.2Å; F70-P118 HydrophobicContact CD1-CB 4.4Å; F70-P118 HydrophobicContact CD1-CG 4.01Å; F70-P118 HydrophobicContact CD2-CB 4.25Å; F70-P118 HydrophobicContact CE1-CB 3.92Å; F70-P118 HydrophobicContact CE1-CG 3.36Å; F70-P118 HydrophobicContact CE2-CB 3.72Å; F70-P118 HydrophobicContact CE2-CG 4.11Å; F70-P118 HydrophobicContact CZ-CB 3.53Å; F70-P118 HydrophobicContact CZ-CG 3.4Å; F70-P118 VanDerWaalsContact CZ-CG 3.4Å; F97-P118 HydrophobicContact CD1-CB 4.49Å; W99-P118 HydrophobicContact CB-CG 4.44Å; W99-P118 HydrophobicContact CD2-CB 4.42Å; W99-P118 HydrophobicContact CD2-CG 4Å; W99-P118 HydrophobicContact CE3-CB 3.8Å; W99-P118 HydrophobicContact CE3-CG 3.8Å; W99-P118 HydrophobicContact CG-CG 4.3Å; W99-P118 HydrophobicContact CZ3-CB 4.38Å; W99-P118 HydrophobicContact CZ3-CG 4.39Å
119V96.6Very high94.7Very high47 Ų4763.6 Ų63.629%0.28537%0.372SS..EExtended strand (participates in β ladder)trans-115.6138.817368.10000110F97 A98 N109F97-V119 WeakPolarHBondContact CA-O 3.5Å; A98-V119 HydrophobicContact CB-CG1 4.43Å; A98-V119 PolarHBondContact N-O 3.3Å; A98-V119 WeakPolarHBondContact O-CG1 3.41Å; A98-V119 PolarHBondContact O-N 3Å; N109-V119 HydrophobicContact CB-CG1 4.05Å; N109-V119 HydrophobicContact CB-CG2 4.39Å
120V96.3Very high94.8Very high64 Ų6461.1 Ų61.139%0.38836%0.359SS..EExtended strand (participates in β ladder)trans-73.7125.1170.5-179.90000109L96 F97 S122L96-V120 WeakPolarHBondContact O-CA 3.45Å; F97-V120 HydrophobicContact CD1-CG2 3.96Å; F97-V120 HydrophobicContact CE1-CG2 3.48Å; F97-V120 VanDerWaalsContact CE1-CG2 3.48Å; F97-V120 HydrophobicContact CZ-CG2 4.14Å; V120-S122 PolarHBondContact O-N 3Å
121V96.9Very high94.9Very high5 Ų561.6 Ų61.63%0.0335%0.353CS..  trans-91.386.1178.9-172.10000109.1L96 A98 L107 L125 P171L96-V121 HydrophobicContact CB-CB 4.39Å; L96-V121 HydrophobicContact CD2-CB 3.95Å; L96-V121 HydrophobicContact CD2-CG1 4.21Å; L96-V121 HydrophobicContact CD2-CG2 4.37Å; L96-V121 HydrophobicContact CG-CB 4.02Å; L96-V121 HydrophobicContact CG-CG2 4.2Å; L96-V121 PolarHBondContact O-N 3.2Å; A98-V121 HydrophobicContact CB-CG2 3.6Å; L107-V121 WeakPolarHBondContact O-CG2 3.46Å; V121-L125 HydrophobicContact CG1-CD1 4.29Å; V121-P171 HydrophobicContact CG1-CG 3.41Å; V121-P171 VanDerWaalsContact CG1-CG 3.41Å
122S90.6Very high95Very high70 Ų7061.3 Ų61.349%0.4935%0.348SS..  trans-94.2-34-172.955.20000114.8V120 L125 I126V120-S122 PolarHBondContact O-N 3Å; S122-L125 CarbonylContact O-C 3.55Å; S122-L125 PolarHBondContact O-N 2.97Å; S122-I126 WeakPolarHBondContact O-CG1 3.43Å; S122-I126 PolarHBondContact O-N 3.08Å
123A91.4Very high95Very high38 Ų3857.9 Ų57.931%0.31433%0.327SS..G310 helixtrans-22.8-98.7-169.700000117.3L125 I126 T170A123-L125 PolarHBondContact O-N 3.43Å; A123-I126 WeakPolarHBondContact O-CG1 3.38Å; A123-T170 HydrophobicContact CB-CG2 4.02Å
124N92.2Very high95.1Very high94 Ų9452.7 Ų52.750%0.50330%0.3SS..G310 helixtrans-84.713.2179-67-40.3000112.9Y150 P171N124-Y150 HydrophobicContact CB-CE1 4.32Å; N124-Y150 WeakPolarHBondContact O-CE1 3.37Å; N124-P171 VanDerWaalsContact CB-O 3.32Å; N124-P171 WeakPolarHBondContact CB-O 3.26Å; N124-P171 PolarHBondContact ND2-O 2.97Å
125L94.4Very high95.2Very high10 Ų1048.9 Ų48.95%0.05228%0.282CS..G310 helixtrans-107.56.3-179.6-66.6173.6000112.1L96 V121 S122 A123 N127 K128 V130 Y150 P171L96-L125 HydrophobicContact CD2-CD1 3.66Å; V121-L125 HydrophobicContact CG1-CD1 4.29Å; S122-L125 CarbonylContact O-C 3.55Å; S122-L125 PolarHBondContact O-N 2.97Å; A123-L125 PolarHBondContact O-N 3.43Å; L125-N127 PolarHBondContact O-N 3.27Å; L125-K128 HydrophobicContact CD2-CB 4.46Å; L125-K128 VanDerWaalsContact O-CB 3.31Å; L125-K128 WeakPolarHBondContact O-CB 3.29Å; L125-K128 PolarHBondContact O-N 3.32Å; L125-V130 HydrophobicContact CD1-CG2 4.31Å; L125-V130 HydrophobicContact CD2-CG2 4.41Å; L125-Y150 HydrophobicContact CD2-CD1 3.8Å; L125-Y150 HydrophobicContact CD2-CD2 3.68Å; L125-Y150 HydrophobicContact CD2-CE1 4.1Å; L125-Y150 HydrophobicContact CD2-CE2 4Å; L125-Y150 HydrophobicContact CD2-CG 3.6Å; L125-P171 HydrophobicContact CD1-CB 4.01Å; L125-P171 HydrophobicContact CD1-CG 3.77Å; L125-P171 HydrophobicContact CG-CB 4Å; L125-P171 HydrophobicContact CG-CG 4.17Å
126I88.8Confident95.3Very high111 Ų11148.5 Ų48.557%0.56928%0.278SS*.THydrogen-bonded Turntrans-56.4130.5174.9-61171.6000109.4S122 A123 K128S122-I126 WeakPolarHBondContact O-CG1 3.43Å; S122-I126 PolarHBondContact O-N 3.08Å; A123-I126 WeakPolarHBondContact O-CG1 3.38Å; I126-K128 PolarHBondContact O-N 2.87Å
127N89.3Confident95.3Very high162 Ų16246.1 Ų46.187%0.86626%0.264SS*.THydrogen-bonded Turntrans60.425.2-176.1-52.8-40.3000114.2L125L125-N127 PolarHBondContact O-N 3.27Å
128K95.3Very high95.4Very high66 Ų6645.6 Ų45.629%0.28725%0.252SS..  trans-112.5134.2171.4-58-64.3176.5167.60109.1L125 I126 T144 E148L125-K128 HydrophobicContact CD2-CB 4.46Å; L125-K128 VanDerWaalsContact O-CB 3.31Å; L125-K128 WeakPolarHBondContact O-CB 3.29Å; L125-K128 PolarHBondContact O-N 3.32Å; I126-K128 PolarHBondContact O-N 2.87Å; K128-T144 HydrophobicContact CB-CG2 3.9Å; K128-T144 HydrophobicContact CG-CG2 4.47Å; K128-E148 WeakPolarHBondContact CD-OE2 3.49Å; K128-E148 WeakPolarHBondContact CE-OE2 3.45Å; K128-E148 VanDerWaalsContact NZ-CD 3.27Å; K128-E148 IonicContact NZ-OE1 2.91Å; K128-E148 PolarHBondContact NZ-OE1 3.24Å; K128-E148 IonicContact NZ-OE2 2.93Å; K128-E148 PolarHBondContact NZ-OE2 2.85Å
129K96.8Very high95.5Very high91 Ų9143.9 Ų43.940%0.39624%0.242SC..  trans-92.7108.6173.4175.2171-170.7163.10108.8D92 T144 D145D92-K129 WeakPolarHBondContact O-CE 3.48Å; D92-K129 PolarHBondContact O-NZ 3.28Å; K129-T144 CarbonylContact O-C 3.5Å; K129-T144 WeakPolarHBondContact O-CA 3.38Å; K129-T144 WeakPolarHBondContact O-CB 3.25Å; K129-D145 HydrophobicContact CB-CB 4.27Å; K129-D145 HydrophobicContact CD-CB 4.39Å; K129-D145 HydrophobicContact CG-CB 4.32Å; K129-D145 PolarHBondContact O-N 3.46Å
130V98.3Very high95.6Very high2 Ų241.7 Ų41.71%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-76.7131.2176.2179.60000109.6A90 G94 L96 L125 V133 A142 L143A90-V130 HydrophobicContact CB-CB 4.37Å; A90-V130 HydrophobicContact CB-CG1 3.84Å; G94-V130 PolarHBondContact O-N 2.95Å; G94-V130 VanDerWaalsContact O-N 3.16Å; L96-V130 HydrophobicContact CB-CG2 4.19Å; L125-V130 HydrophobicContact CD1-CG2 4.31Å; L125-V130 HydrophobicContact CD2-CG2 4.41Å; V130-V133 HydrophobicContact CG1-CG1 4.02Å; V130-A142 HydrophobicContact CG1-CB 3.96Å; V130-A142 HydrophobicContact CG2-CB 4.4Å; V130-L143 WeakPolarHBondContact CA-O 3.45Å
131T97.9Very high95.8Very high53 Ų5338.6 Ų38.633%0.32521%0.21SC..EExtended strand (participates in β ladder)trans-115.8-29.1-177.151.30000113.1L143 D145T131-L143 PolarHBondContact N-O 2.9Å; T131-L143 PolarHBondContact OG1-O 2.98Å; T131-D145 HydrophobicContact CG2-CB 3.79Å
132E98.4Very high95.8Very high46 Ų4638.4 Ų38.422%0.21521%0.208CC..EExtended strand (participates in β ladder)trans-143144.3-179.8179.6-175.7159.400110.5A142 L143 S185 I186E132-A142 WeakPolarHBondContact O-CA 3.26Å; E132-L143 HydrophobicContact CB-CB 4.06Å; E132-L143 HydrophobicContact CB-CD2 4.3Å; E132-L143 PolarHBondContact N-O 3.35Å; E132-L143 PolarHBondContact O-N 3.17Å; E132-S185 PolarHBondContact OE1-OG 3.3Å; E132-S185 WeakPolarHBondContact OE2-CA 3.25Å; E132-I186 HydrophobicContact CB-CG1 4.48Å; E132-I186 HydrophobicContact CG-CD1 4.42Å; E132-I186 HydrophobicContact CG-CG1 3.86Å; E132-I186 PolarHBondContact OE1-N 3.27Å; E132-I186 VanDerWaalsContact OE1-O 3.06Å
133V98.7Very high96.2Very high7 Ų735.3 Ų35.34%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-126.8146175.7-67.60000110.6S78 S80 L88 A90 L96 V130 M141S78-V133 WeakPolarHBondContact OG-CG2 3.09Å; S78-V133 PolarHBondContact OG-N 3.1Å; S78-V133 VanDerWaalsContact OG-N 3.11Å; S80-V133 WeakPolarHBondContact CB-O 3.47Å; L88-V133 HydrophobicContact CB-CB 3.9Å; L88-V133 HydrophobicContact CB-CG1 4.13Å; L88-V133 HydrophobicContact CB-CG2 3.95Å; L88-V133 HydrophobicContact CD1-CB 4.13Å; L88-V133 HydrophobicContact CD1-CG1 4.35Å; A90-V133 HydrophobicContact CB-CG1 4.17Å; L96-V133 HydrophobicContact CD1-CG1 3.47Å; L96-V133 VanDerWaalsContact CD1-CG1 3.47Å; V130-V133 HydrophobicContact CG1-CG1 4.02Å; V133-M141 WeakPolarHBondContact CA-O 3.49Å
134A98.4Very high96.5Very high6 Ų633.6 Ų33.65%0.0517%0.172CC..EExtended strand (participates in β ladder)trans-138.4140.317400000110.6S80 M141 I186 C188S80-A134 WeakPolarHBondContact OG-CA 3.31Å; A134-M141 HydrophobicContact CB-CB 4.33Å; A134-M141 PolarHBondContact N-O 3.44Å; A134-M141 PolarHBondContact O-N 2.96Å; A134-I186 HydrophobicContact CB-CD1 4.01Å; A134-I186 HydrophobicContact CB-CG1 4.13Å; A134-C188 HydrophobicContact CB-CB 4.41Å
135C98.2Very high96.7Very high2 Ų233.8 Ų33.81%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-123.2134.1179.4-66.10000110.4S80 Y81 L88 C188S80-C135 PolarHBondContact OG-N 2.87Å; Y81-C135 WeakPolarHBondContact O-CB 3.45Å; L88-C135 VanDerWaalsContact CG-SG 3.54Å; C135-C188 VanDerWaalsContact O-CB 3.25Å; C135-C188 WeakPolarHBondContact O-CB 3.39Å
136G96.9Very high96.8Very high0 Ų036 Ų360%019%0.189CC..  trans-98-150.9164.800000111.1G82 H139 C188 G189G82-G136 WeakPolarHBondContact CA-O 3.2Å; G136-H139 PolarHBondContact N-O 2.99Å; G136-C188 VanDerWaalsContact N-CB 3.34Å; G136-G189 WeakPolarHBondContact CA-O 3.25Å
137S95.3Very high97.2Very high6 Ų631 Ų314%0.04217%0.165CC..SBendtrans-59.9-55.6179.571.70000112S83 Q190S83-S137 WeakPolarHBondContact CB-O 3Å; S83-S137 PolarHBondContact N-O 3.26Å; S83-S137 VanDerWaalsContact O-O 3.05Å; S137-Q190 VanDerWaalsContact CB-O 3.22Å; S137-Q190 WeakPolarHBondContact CB-O 3.49Å; S137-Q190 PolarHBondContact N-O 2.78Å; S137-Q190 PolarHBondContact OG-O 2.99Å
138H97.1Very high97.6Very high42 Ų4224.6 Ų24.619%0.19413%0.13CC..SBendtrans-143.123.6-173.5-57.2-50.3000111.9H101 Y104 Q106 Y154H101-H138 AromaticContact CD2-ND1 3.84Å; Y104-H138 HydrophobicContact CD2-CB 3.65Å; Y104-H138 AromaticContact CD2-CD2 3.94Å; Y104-H138 AromaticContact CD2-CG 3.59Å; Y104-H138 HydrophobicContact CE2-CB 4.36Å; Y104-H138 AromaticContact CE2-CD2 3.74Å; Y104-H138 AromaticContact CE2-CG 3.84Å; Y104-H138 HydrophobicContact CG-CB 4.27Å; Q106-H138 PolarHBondContact OE1-O 3.05Å; H138-Y154 HydrophobicContact CB-CD1 4.46Å; H138-Y154 HydrophobicContact CB-CG 4.26Å; H138-Y154 WeakPolarHBondContact O-CB 3.47Å; H138-Y154 PolarHBondContact O-N 3.11Å
139H98.5Very high97.7Very high0 Ų021.6 Ų21.60%012%0.117CC..EExtended strand (participates in β ladder)trans-136.8160176.678.8-73.8000109.6G136 W152 Q159 C188 S193G136-H139 PolarHBondContact N-O 2.99Å; H139-W152 WeakPolarHBondContact CA-O 3.35Å; H139-W152 WeakPolarHBondContact CB-O 3.45Å; H139-Q159 HydrophobicContact CB-CG 3.97Å; H139-C188 PolarHBondContact NE2-SG 3.27Å; H139-C188 VanDerWaalsContact NE2-SG 3.37Å; H139-S193 PolarHBondContact NE2-OG 2.91Å
140S98.7Very high97.8Very high0 Ų017.8 Ų17.80%010%0.1CC..EExtended strand (participates in β ladder)trans-137.3147.4-166.7-72.40000110.4H86 Q106 A151 W152H86-S140 PolarHBondContact NE2-OG 3.41Å; Q106-S140 PolarHBondContact O-OG 3.07Å; S140-A151 CarbonylContact O-C 3.54Å; S140-A151 WeakPolarHBondContact O-CA 3.47Å; S140-W152 VanDerWaalsContact CB-CZ2 3.48Å; S140-W152 VanDerWaalsContact CB-NE1 3.33Å; S140-W152 PolarHBondContact N-O 3.49Å; S140-W152 PolarHBondContact O-N 2.84Å
141M98.8Very high97.8Very high0 Ų017.7 Ų17.70%010%0.1CC..EExtended strand (participates in β ladder)trans-135147.7176.6-66.1178.960.900111.1V133 A134 V149 Y150 A151 I186 C188 S193 W205V133-M141 WeakPolarHBondContact CA-O 3.49Å; A134-M141 HydrophobicContact CB-CB 4.33Å; A134-M141 PolarHBondContact N-O 3.44Å; A134-M141 PolarHBondContact O-N 2.96Å; M141-V149 HydrophobicContact CE-CG1 3.58Å; M141-Y150 CarbonylContact C-O 3.58Å; M141-Y150 WeakPolarHBondContact CA-O 3.2Å; M141-A151 HydrophobicContact CG-CB 3.95Å; M141-I186 HydrophobicContact CB-CD1 3.76Å; M141-I186 HydrophobicContact CE-CB 3.77Å; M141-I186 HydrophobicContact CE-CG2 3.67Å; M141-C188 VanDerWaalsContact SD-SG 3.61Å; M141-S193 WeakPolarHBondContact SD-CB 3.39Å; M141-S193 PolarHBondContact SD-OG 3.01Å; M141-W205 HydrophobicContact CE-CH2 3.7Å; M141-W205 HydrophobicContact CE-CZ2 3.5Å; M141-W205 HydrophobicContact SD-CZ2 4.08Å
142A98.6Very high97.8Very high0 Ų015.2 Ų15.20%08%0.084CC..EExtended strand (participates in β ladder)trans-133139.9170.300000109.9L96 V130 E132 Y150 W152L96-A142 HydrophobicContact CD2-CB 4.22Å; V130-A142 HydrophobicContact CG1-CB 3.96Å; V130-A142 HydrophobicContact CG2-CB 4.4Å; E132-A142 WeakPolarHBondContact O-CA 3.26Å; A142-Y150 PolarHBondContact N-O 3.04Å; A142-Y150 PolarHBondContact O-N 3.49Å; A142-W152 HydrophobicContact CB-CH2 3.87Å; A142-W152 HydrophobicContact CB-CZ3 3.85Å
143L98.5Very high97.8Very high5 Ų513 Ų133%0.0267%0.074CC..EExtended strand (participates in β ladder)trans-109.7136.8171.1177.964.3000108.3V130 T131 E132 V149 A183 I186V130-L143 WeakPolarHBondContact CA-O 3.45Å; T131-L143 PolarHBondContact N-O 2.9Å; T131-L143 PolarHBondContact OG1-O 2.98Å; E132-L143 HydrophobicContact CB-CB 4.06Å; E132-L143 HydrophobicContact CB-CD2 4.3Å; E132-L143 PolarHBondContact N-O 3.35Å; E132-L143 PolarHBondContact O-N 3.17Å; L143-V149 HydrophobicContact CD1-CG2 4.02Å; L143-A183 HydrophobicContact CD1-CB 3.65Å; L143-I186 HydrophobicContact CB-CD1 3.9Å; L143-I186 HydrophobicContact CB-CG1 4Å; L143-I186 HydrophobicContact CB-CG2 4.18Å
144T97.9Very high97.8Very high2 Ų215 Ų151%0.0128%0.081CC..EExtended strand (participates in β ladder)trans-98.6163.3177.265.10000111.5K128 K129 S146 G147 E148 Y150K128-T144 HydrophobicContact CB-CG2 3.9Å; K128-T144 HydrophobicContact CG-CG2 4.47Å; K129-T144 CarbonylContact O-C 3.5Å; K129-T144 WeakPolarHBondContact O-CA 3.38Å; K129-T144 WeakPolarHBondContact O-CB 3.25Å; T144-S146 PolarHBondContact O-N 3.43Å; T144-S146 PolarHBondContact OG1-OG 3.46Å; T144-G147 WeakPolarHBondContact O-CA 3.26Å; T144-G147 PolarHBondContact O-N 3.05Å; T144-E148 HydrophobicContact CG2-CB 4.47Å; T144-E148 PolarHBondContact N-O 2.93Å; T144-E148 WeakPolarHBondContact OG1-CB 3.27Å; T144-E148 PolarHBondContact OG1-N 2.85Å; T144-E148 VanDerWaalsContact OG1-N 3.07Å; T144-E148 PolarHBondContact OG1-O 3.3Å; T144-Y150 HydrophobicContact CG2-CD2 4.03Å; T144-Y150 HydrophobicContact CG2-CE2 3.78Å
145D96.6Very high97.8Very high99 Ų9914.8 Ų14.853%0.5298%0.079SC..THydrogen-bonded Turntrans-57.2-29172.666.8-18.7000113.8K129 T131 G147K129-D145 HydrophobicContact CB-CB 4.27Å; K129-D145 HydrophobicContact CD-CB 4.39Å; K129-D145 HydrophobicContact CG-CB 4.32Å; K129-D145 PolarHBondContact O-N 3.46Å; T131-D145 HydrophobicContact CG2-CB 3.79Å; D145-G147 PolarHBondContact O-N 3.34Å
146S95.8Very high97.8Very high57 Ų5718.8 Ų18.840%0.39910%0.1SC..THydrogen-bonded Turntrans-78.62.7173.667.20000114.5T144 E148 L182T144-S146 PolarHBondContact O-N 3.43Å; T144-S146 PolarHBondContact OG1-OG 3.46Å; S146-E148 VanDerWaalsContact C-N 3.27Å; S146-E148 PolarHBondContact O-N 3.32Å; S146-E148 WeakPolarHBondContact OG-CG 3.35Å; S146-L182 WeakPolarHBondContact O-CD1 3.31Å
147G96.5Very high97.8Very high5 Ų519.9 Ų19.95%0.05211%0.108CC..  trans72.214.1-178.100000114.7T144 D145 A183T144-G147 WeakPolarHBondContact O-CA 3.26Å; T144-G147 PolarHBondContact O-N 3.05Å; D145-G147 PolarHBondContact O-N 3.34Å; G147-A183 WeakPolarHBondContact CA-O 3.45Å; G147-A183 WeakPolarHBondContact O-CB 3.22Å; G147-A183 PolarHBondContact O-N 3.42Å
148E97.3Very high98Very high27 Ų2719.6 Ų19.613%0.12611%0.106CC..  trans-78.1134.4172.2-61.4177.2152.400111K128 T144 S146 Y150 R173K128-E148 WeakPolarHBondContact CD-OE2 3.49Å; K128-E148 WeakPolarHBondContact CE-OE2 3.45Å; K128-E148 VanDerWaalsContact NZ-CD 3.27Å; K128-E148 IonicContact NZ-OE1 2.91Å; K128-E148 PolarHBondContact NZ-OE1 3.24Å; K128-E148 IonicContact NZ-OE2 2.93Å; K128-E148 PolarHBondContact NZ-OE2 2.85Å; T144-E148 HydrophobicContact CG2-CB 4.47Å; T144-E148 PolarHBondContact N-O 2.93Å; T144-E148 WeakPolarHBondContact OG1-CB 3.27Å; T144-E148 PolarHBondContact OG1-N 2.85Å; T144-E148 VanDerWaalsContact OG1-N 3.07Å; T144-E148 PolarHBondContact OG1-O 3.3Å; S146-E148 VanDerWaalsContact C-N 3.27Å; S146-E148 PolarHBondContact O-N 3.32Å; S146-E148 WeakPolarHBondContact OG-CG 3.35Å; E148-Y150 HydrophobicContact CB-CD2 4.43Å; E148-Y150 HydrophobicContact CB-CE2 3.69Å; E148-Y150 PolarHBondContact OE2-OH 3.07Å; E148-R173 IonicContact OE1-CZ 3.83Å; E148-R173 IonicContact OE1-NE 3.09Å; E148-R173 IonicContact OE1-NH1 2.65Å; E148-R173 PolarHBondContact OE1-NH1 3.25Å; E148-R173 IonicContact OE1-NH2 3.7Å; E148-R173 PolarHBondContact OE1-NH2 3.45Å
149V98.3Very high98Very high4 Ų417.6 Ų17.62%0.02410%0.097CC..EExtended strand (participates in β ladder)trans-100131.8176.6-178.60000110.5M141 L143 V174 L178 A183 I186 W205M141-V149 HydrophobicContact CE-CG1 3.58Å; L143-V149 HydrophobicContact CD1-CG2 4.02Å; V149-V174 HydrophobicContact CB-CB 4.38Å; V149-V174 HydrophobicContact CG1-CB 4.31Å; V149-V174 HydrophobicContact CG1-CG2 4.06Å; V149-V174 PolarHBondContact O-N 3.19Å; V149-L178 HydrophobicContact CB-CD1 4.48Å; V149-L178 HydrophobicContact CG2-CD1 4.37Å; V149-A183 HydrophobicContact CG2-CB 3.51Å; V149-I186 HydrophobicContact CG1-CG2 4.1Å; V149-I186 HydrophobicContact CG2-CG2 3.93Å; V149-W205 HydrophobicContact CG1-CH2 4.45Å
150Y98.4Very high98Very high11 Ų1117.7 Ų17.74%0.04310%0.097CC..EExtended strand (participates in β ladder)trans-120143.9172.8-66.7-105.1000109.7N124 L125 M141 A142 T144 E148 P171 R172 R173N124-Y150 HydrophobicContact CB-CE1 4.32Å; N124-Y150 WeakPolarHBondContact O-CE1 3.37Å; L125-Y150 HydrophobicContact CD2-CD1 3.8Å; L125-Y150 HydrophobicContact CD2-CD2 3.68Å; L125-Y150 HydrophobicContact CD2-CE1 4.1Å; L125-Y150 HydrophobicContact CD2-CE2 4Å; L125-Y150 HydrophobicContact CD2-CG 3.6Å; M141-Y150 CarbonylContact C-O 3.58Å; M141-Y150 WeakPolarHBondContact CA-O 3.2Å; A142-Y150 PolarHBondContact N-O 3.04Å; A142-Y150 PolarHBondContact O-N 3.49Å; T144-Y150 HydrophobicContact CG2-CD2 4.03Å; T144-Y150 HydrophobicContact CG2-CE2 3.78Å; E148-Y150 HydrophobicContact CB-CD2 4.43Å; E148-Y150 HydrophobicContact CB-CE2 3.69Å; E148-Y150 PolarHBondContact OE2-OH 3.07Å; Y150-P171 HydrophobicContact CD1-CB 4.34Å; Y150-R172 CarbonylContact C-O 3.48Å; Y150-R172 VanDerWaalsContact CA-O 3.29Å; Y150-R172 WeakPolarHBondContact CA-O 3.38Å; Y150-R173 HydrophobicContact CD1-CB 4.01Å; Y150-R173 HydrophobicContact CE1-CB 3.66Å; Y150-R173 HydrophobicContact CE1-CG 4.31Å
151A98.4Very high97.9Very high0 Ų017.9 Ų17.90%010%0.099CC..EExtended strand (participates in β ladder)trans-141.9151.3177.200000111.8S140 M141 V160 R172 V174S140-A151 CarbonylContact O-C 3.54Å; S140-A151 WeakPolarHBondContact O-CA 3.47Å; M141-A151 HydrophobicContact CG-CB 3.95Å; A151-V160 HydrophobicContact CB-CB 4.42Å; A151-V160 HydrophobicContact CB-CG1 3.85Å; A151-V160 VanDerWaalsContact O-CG1 3.3Å; A151-V160 WeakPolarHBondContact O-CG1 3.28Å; A151-R172 PolarHBondContact N-O 2.71Å; A151-R172 PolarHBondContact O-N 3.27Å; A151-V174 HydrophobicContact CB-CG2 3.81Å
152W98.7Very high97.8Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-158.4176.8178.863.292.8000112.8L88 L96 Q106 G108 H139 S140 A142 Q168 T170 P171L88-W152 HydrophobicContact CD1-CH2 4.04Å; L88-W152 HydrophobicContact CD1-CZ2 3.76Å; L88-W152 HydrophobicContact CD2-CZ2 3.98Å; L96-W152 HydrophobicContact CD2-CH2 3.59Å; L96-W152 HydrophobicContact CD2-CZ2 4.02Å; Q106-W152 PolarHBondContact O-NE1 3.1Å; G108-W152 VanDerWaalsContact N-CD1 3.33Å; H139-W152 WeakPolarHBondContact CA-O 3.35Å; H139-W152 WeakPolarHBondContact CB-O 3.45Å; S140-W152 VanDerWaalsContact CB-CZ2 3.48Å; S140-W152 VanDerWaalsContact CB-NE1 3.33Å; S140-W152 PolarHBondContact N-O 3.49Å; S140-W152 PolarHBondContact O-N 2.84Å; A142-W152 HydrophobicContact CB-CH2 3.87Å; A142-W152 HydrophobicContact CB-CZ3 3.85Å; W152-Q168 HydrophobicContact CB-CB 4.3Å; W152-Q168 WeakPolarHBondContact CB-O 3.3Å; W152-T170 WeakPolarHBondContact CB-O 3.42Å; W152-P171 HydrophobicContact CD2-CB 4.21Å; W152-P171 HydrophobicContact CD2-CG 3.89Å; W152-P171 HydrophobicContact CE3-CB 3.62Å; W152-P171 HydrophobicContact CE3-CG 3.71Å; W152-P171 HydrophobicContact CG-CG 4.48Å; W152-P171 HydrophobicContact CZ3-CB 4.03Å; W152-P171 HydrophobicContact CZ3-CG 4.05Å
153G98.4Very high97.7Very high0 Ų021.1 Ų21.10%013%0.128CC..EExtended strand (participates in β ladder)trans95.5-146.2-178.800000113.7Y104 N167 Q168Y104-G153 CarbonylContact O-C 3.56Å; Y104-G153 VanDerWaalsContact O-CA 3.27Å; Y104-G153 WeakPolarHBondContact O-CA 3.37Å; G153-N167 CarbonylContact O-C 3.18Å; G153-N167 VanDerWaalsContact O-CA 3.27Å; G153-N167 WeakPolarHBondContact O-CA 3.47Å; G153-N167 WeakPolarHBondContact O-CB 3.48Å; G153-Q168 PolarHBondContact N-O 3.21Å; G153-Q168 PolarHBondContact O-N 3.29Å
154Y98.4Very high97.6Very high50 Ų5022.8 Ų22.820%0.19614%0.141CC..  trans-61.7133.3-178.3-172.3-123.6000112Y104 H138 N156 Q159 N167Y104-Y154 AromaticContact CD1-CD2 3.47Å; Y104-Y154 HydrophobicContact CD1-CD2 3.47Å; Y104-Y154 VanDerWaalsContact CD1-CD2 3.47Å; Y104-Y154 AromaticContact CD1-CE2 3.93Å; Y104-Y154 HydrophobicContact CD1-CE2 3.93Å; Y104-Y154 HydrophobicContact CD1-CG 4.3Å; Y104-Y154 HydrophobicContact CE1-CD2 4.01Å; Y104-Y154 HydrophobicContact CE1-CE2 4.02Å; Y104-Y154 AromaticContact CG-CD2 3.81Å; Y104-Y154 HydrophobicContact CG-CD2 3.81Å; Y104-Y154 HydrophobicContact CG-CG 4.21Å; Y104-Y154 PolarHBondContact O-N 3.07Å; H138-Y154 HydrophobicContact CB-CD1 4.46Å; H138-Y154 HydrophobicContact CB-CG 4.26Å; H138-Y154 WeakPolarHBondContact O-CB 3.47Å; H138-Y154 PolarHBondContact O-N 3.11Å; Y154-N156 HydrophobicContact CE1-CB 4.16Å; Y154-N156 HydrophobicContact CE2-CB 3.92Å; Y154-N156 VanDerWaalsContact CE2-CG 3.47Å; Y154-N156 WeakPolarHBondContact CE2-ND2 3.32Å; Y154-N156 VanDerWaalsContact CZ-ND2 3.34Å; Y154-N156 WeakPolarHBondContact OH-CB 3.48Å; Y154-N156 PolarHBondContact OH-ND2 2.91Å; Y154-Q159 WeakPolarHBondContact O-CG 3.38Å; Y154-Q159 PolarHBondContact O-NE2 3.43Å; Y154-Q159 VanDerWaalsContact O-NE2 3.16Å; Y154-N167 WeakPolarHBondContact CA-OD1 3.46Å; Y154-N167 WeakPolarHBondContact CD2-OD1 3.37Å
155N98.3Very high97.6Very high0 Ų026.2 Ų26.20%016%0.162CC..  trans-139.715.4-171-165.635.1000115.4C157 G158 Q159 V160 S162 S164 T165 A166 N167N155-C157 PolarHBondContact O-N 2.84Å; N155-G158 PolarHBondContact O-N 2.82Å; N155-G158 WeakPolarHBondContact OD1-CA 3.49Å; N155-Q159 PolarHBondContact OD1-N 3.01Å; N155-Q159 VanDerWaalsContact OD1-N 3.14Å; N155-V160 HydrophobicContact CB-CB 4.18Å; N155-V160 HydrophobicContact CB-CG2 3.7Å; N155-V160 WeakPolarHBondContact OD1-CB 3.29Å; N155-V160 PolarHBondContact OD1-N 3.47Å; N155-S162 PolarHBondContact ND2-OG 3.43Å; N155-S164 PolarHBondContact ND2-O 3.23Å; N155-T165 CarbonylContact C-O 3.42Å; N155-T165 VanDerWaalsContact C-O 3.3Å; N155-T165 CarbonylContact O-C 3.03Å; N155-T165 VanDerWaalsContact O-CA 3.22Å; N155-T165 WeakPolarHBondContact O-CA 3.15Å; N155-T165 VanDerWaalsContact O-O 3.13Å; N155-A166 VanDerWaalsContact CB-O 3.24Å; N155-A166 WeakPolarHBondContact CB-O 3.15Å; N155-A166 PolarHBondContact ND2-O 3.05Å; N155-N167 PolarHBondContact N-OD1 3.04Å
156N98.1Very high97.6Very high86 Ų8624.1 Ų24.146%0.4616%0.158SC..THydrogen-bonded Turntrans-59.4-19.5-175-78.7-2.3000114.8Y154Y154-N156 HydrophobicContact CE1-CB 4.16Å; Y154-N156 HydrophobicContact CE2-CB 3.92Å; Y154-N156 VanDerWaalsContact CE2-CG 3.47Å; Y154-N156 WeakPolarHBondContact CE2-ND2 3.32Å; Y154-N156 VanDerWaalsContact CZ-ND2 3.34Å; Y154-N156 WeakPolarHBondContact OH-CB 3.48Å; Y154-N156 PolarHBondContact OH-ND2 2.91Å
157C98Very high97.7Very high24 Ų2424.1 Ų24.116%0.16215%0.154CC..THydrogen-bonded Turntrans-108.84.7175.9-57.50000113.1N155 G206 Y207N155-C157 PolarHBondContact O-N 2.84Å; C157-G206 CarbonylContact O-C 3.13Å; C157-G206 VanDerWaalsContact O-CA 3.32Å; C157-G206 WeakPolarHBondContact O-CA 3.31Å; C157-Y207 HydrophobicContact CB-CD2 4.23Å; C157-Y207 HydrophobicContact CB-CG 4.41Å
158G97.9Very high97.8Very high0 Ų025.2 Ų25.20%016%0.158CC..SBendtrans8613.8-177.700000115N155 V160 G161N155-G158 PolarHBondContact O-N 2.82Å; N155-G158 WeakPolarHBondContact OD1-CA 3.49Å; G158-V160 PolarHBondContact O-N 2.88Å; G158-V160 VanDerWaalsContact O-N 3.15Å; G158-G161 WeakPolarHBondContact O-CA 3.43Å; G158-G161 PolarHBondContact O-N 3.1Å
159Q97.9Very high97.8Very high0 Ų026.5 Ų26.50%017%0.168CC..THydrogen-bonded Turntrans-65.1-13.3-17661.6-95.452.900114.5H139 Y154 N155 G161 T191 S193 W205H139-Q159 HydrophobicContact CB-CG 3.97Å; Y154-Q159 WeakPolarHBondContact O-CG 3.38Å; Y154-Q159 PolarHBondContact O-NE2 3.43Å; Y154-Q159 VanDerWaalsContact O-NE2 3.16Å; N155-Q159 PolarHBondContact OD1-N 3.01Å; N155-Q159 VanDerWaalsContact OD1-N 3.14Å; Q159-G161 VanDerWaalsContact C-N 3.32Å; Q159-T191 WeakPolarHBondContact CB-O 3.44Å; Q159-S193 PolarHBondContact O-OG 3.24Å; Q159-W205 VanDerWaalsContact O-CD1 3.28Å; Q159-W205 PolarHBondContact O-NE1 3.27Å
160V97.9Very high97.8Very high1 Ų128.3 Ų28.31%0.00618%0.18CC..THydrogen-bonded Turntrans-82.1-14.1169.8-179.40000111.8A151 N155 G158 S162 Q168A151-V160 HydrophobicContact CB-CB 4.42Å; A151-V160 HydrophobicContact CB-CG1 3.85Å; A151-V160 VanDerWaalsContact O-CG1 3.3Å; A151-V160 WeakPolarHBondContact O-CG1 3.28Å; N155-V160 HydrophobicContact CB-CB 4.18Å; N155-V160 HydrophobicContact CB-CG2 3.7Å; N155-V160 WeakPolarHBondContact OD1-CB 3.29Å; N155-V160 PolarHBondContact OD1-N 3.47Å; G158-V160 PolarHBondContact O-N 2.88Å; G158-V160 VanDerWaalsContact O-N 3.15Å; V160-S162 VanDerWaalsContact C-N 3.27Å; V160-S162 PolarHBondContact O-N 3.47Å; V160-Q168 HydrophobicContact CB-CG 4.19Å; V160-Q168 HydrophobicContact CG1-CB 4.02Å; V160-Q168 HydrophobicContact CG1-CG 3.53Å; V160-Q168 HydrophobicContact CG2-CG 4.38Å
161G97.4Very high97.8Very high4 Ų427.8 Ų27.84%0.04118%0.178CC..  trans72.120.5177.200000113.7G158 Q159 G163 W205 L222G158-G161 WeakPolarHBondContact O-CA 3.43Å; G158-G161 PolarHBondContact O-N 3.1Å; Q159-G161 VanDerWaalsContact C-N 3.32Å; G161-G163 VanDerWaalsContact C-N 3.31Å; G161-G163 PolarHBondContact O-N 3.48Å; G161-W205 VanDerWaalsContact CA-CD1 3.41Å; G161-W205 VanDerWaalsContact N-CD1 3.34Å; G161-L222 CarbonylContact C-O 3.19Å; G161-L222 WeakPolarHBondContact CA-O 3.4Å
162S95.8Very high97.7Very high24 Ų2433.2 Ų33.217%0.16820%0.198CC..SBendtrans-81-4.9-172.186.50000114.7N155 V160 S164 L222N155-S162 PolarHBondContact ND2-OG 3.43Å; V160-S162 VanDerWaalsContact C-N 3.27Å; V160-S162 PolarHBondContact O-N 3.47Å; S162-S164 VanDerWaalsContact C-N 3.25Å; S162-S164 PolarHBondContact O-N 3.05Å; S162-S164 PolarHBondContact OG-N 3.19Å; S162-S164 VanDerWaalsContact OG-N 3.17Å; S162-S164 PolarHBondContact OG-OG 3.08Å; S162-S164 VanDerWaalsContact OG-OG 3.09Å; S162-L222 PolarHBondContact N-O 3.33Å
163G96.4Very high97.6Very high44 Ų4437.4 Ų37.445%0.45421%0.214SC..SBendtrans75.99.2-167.100000114.1G161 L222 S223G161-G163 VanDerWaalsContact C-N 3.31Å; G161-G163 PolarHBondContact O-N 3.48Å; G163-L222 VanDerWaalsContact CA-O 3.3Å; G163-L222 WeakPolarHBondContact CA-O 3.48Å; G163-L222 PolarHBondContact N-O 3.11Å; G163-S223 WeakPolarHBondContact CA-OG 3.41Å; G163-S223 PolarHBondContact N-OG 3.38Å
164S96.3Very high97.5Very high41 Ų4137.7 Ų37.729%0.28722%0.216SC..SBendtrans-136.1173.4178.496.10000110.7N155 S162 A166N155-S164 PolarHBondContact ND2-O 3.23Å; S162-S164 VanDerWaalsContact C-N 3.25Å; S162-S164 PolarHBondContact O-N 3.05Å; S162-S164 PolarHBondContact OG-N 3.19Å; S162-S164 VanDerWaalsContact OG-N 3.17Å; S162-S164 PolarHBondContact OG-OG 3.08Å; S162-S164 VanDerWaalsContact OG-OG 3.09Å; S164-A166 PolarHBondContact OG-N 2.95Å; S164-A166 VanDerWaalsContact OG-N 3.1Å
165T97.8Very high96.9Very high73 Ų7337.9 Ų37.945%0.44822%0.224SC..SBendtrans-103.52.6172.452.70000113.9N155 L222N155-T165 CarbonylContact C-O 3.42Å; N155-T165 VanDerWaalsContact C-O 3.3Å; N155-T165 CarbonylContact O-C 3.03Å; N155-T165 VanDerWaalsContact O-CA 3.22Å; N155-T165 WeakPolarHBondContact O-CA 3.15Å; N155-T165 VanDerWaalsContact O-O 3.13Å; T165-L222 HydrophobicContact CG2-CD1 4.45Å; T165-L222 HydrophobicContact CG2-CD2 3.73Å
166A97.9Very high96.3Very high56 Ų5640.2 Ų40.246%0.46324%0.24SC..SBendtrans-78.2134.3-179.700000111.2N155 S164 Q168N155-A166 VanDerWaalsContact CB-O 3.24Å; N155-A166 WeakPolarHBondContact CB-O 3.15Å; N155-A166 PolarHBondContact ND2-O 3.05Å; S164-A166 PolarHBondContact OG-N 2.95Å; S164-A166 VanDerWaalsContact OG-N 3.1Å; A166-Q168 PolarHBondContact O-NE2 3.28Å; A166-Q168 VanDerWaalsContact O-NE2 3.08Å
167N98.1Very high95.9Very high56 Ų5639.4 Ų39.430%0.29924%0.241SC..  trans-53.9144173.9-64.6-13000110.4G153 Y154 N155G153-N167 CarbonylContact O-C 3.18Å; G153-N167 VanDerWaalsContact O-CA 3.27Å; G153-N167 WeakPolarHBondContact O-CA 3.47Å; G153-N167 WeakPolarHBondContact O-CB 3.48Å; Y154-N167 WeakPolarHBondContact CA-OD1 3.46Å; Y154-N167 WeakPolarHBondContact CD2-OD1 3.37Å; N155-N167 PolarHBondContact N-OD1 3.04Å
168Q97.9Very high95.6Very high29 Ų2938.9 Ų38.914%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-109112.2179.8-64.9-58-58.900109W152 G153 V160 A166 T170W152-Q168 HydrophobicContact CB-CB 4.3Å; W152-Q168 WeakPolarHBondContact CB-O 3.3Å; G153-Q168 PolarHBondContact N-O 3.21Å; G153-Q168 PolarHBondContact O-N 3.29Å; V160-Q168 HydrophobicContact CB-CG 4.19Å; V160-Q168 HydrophobicContact CG1-CB 4.02Å; V160-Q168 HydrophobicContact CG1-CG 3.53Å; V160-Q168 HydrophobicContact CG2-CG 4.38Å; A166-Q168 PolarHBondContact O-NE2 3.28Å; A166-Q168 VanDerWaalsContact O-NE2 3.08Å; Q168-T170 VanDerWaalsContact C-N 3.26Å; Q168-T170 PolarHBondContact O-N 2.9Å
169P97.8Very high94.9Very high54 Ų5444.1 Ų44.135%0.35126%0.261SS..EExtended strand (participates in β ladder)trans-78.1-10.4-173.832.2-36.9000114.4G108 N109 G110G108-P169 CarbonylContact C-O 3.5Å; G108-P169 VanDerWaalsContact CA-O 3.31Å; G108-P169 WeakPolarHBondContact CA-O 3.29Å; N109-P169 PolarHBondContact N-O 3.16Å; G110-P169 WeakPolarHBondContact CA-O 3.35Å; G110-P169 PolarHBondContact N-O 2.91Å
170T98Very high94.4Very high42 Ų4251.5 Ų51.526%0.25830%0.3SS..EExtended strand (participates in β ladder)trans-137.5153.4179.156.10000109.8A123 W152 Q168 R172A123-T170 HydrophobicContact CB-CG2 4.02Å; W152-T170 WeakPolarHBondContact CB-O 3.42Å; Q168-T170 VanDerWaalsContact C-N 3.26Å; Q168-T170 PolarHBondContact O-N 2.9Å; T170-R172 PolarHBondContact O-N 2.92Å
171P98.1Very high94.2Very high0 Ų054.4 Ų54.40%031%0.313CS..EExtended strand (participates in β ladder)trans-46.2128.4174.2-27.931.6000112.3G108 V121 N124 L125 Y150 W152G108-P171 VanDerWaalsContact O-CD 3.31Å; G108-P171 WeakPolarHBondContact O-CD 3.21Å; V121-P171 HydrophobicContact CG1-CG 3.41Å; V121-P171 VanDerWaalsContact CG1-CG 3.41Å; N124-P171 VanDerWaalsContact CB-O 3.32Å; N124-P171 WeakPolarHBondContact CB-O 3.26Å; N124-P171 PolarHBondContact ND2-O 2.97Å; L125-P171 HydrophobicContact CD1-CB 4.01Å; L125-P171 HydrophobicContact CD1-CG 3.77Å; L125-P171 HydrophobicContact CG-CB 4Å; L125-P171 HydrophobicContact CG-CG 4.17Å; Y150-P171 HydrophobicContact CD1-CB 4.34Å; W152-P171 HydrophobicContact CD2-CB 4.21Å; W152-P171 HydrophobicContact CD2-CG 3.89Å; W152-P171 HydrophobicContact CE3-CB 3.62Å; W152-P171 HydrophobicContact CE3-CG 3.71Å; W152-P171 HydrophobicContact CG-CG 4.48Å; W152-P171 HydrophobicContact CZ3-CB 4.03Å; W152-P171 HydrophobicContact CZ3-CG 4.05Å
172R96.3Very high94.1Very high113 Ų11357.7 Ų57.743%0.42633%0.329SS..EExtended strand (participates in β ladder)trans-120.8129.9176-178.1-176.4177.9102.31.7109.1Y150 A151 T170 V174Y150-R172 CarbonylContact C-O 3.48Å; Y150-R172 VanDerWaalsContact CA-O 3.29Å; Y150-R172 WeakPolarHBondContact CA-O 3.38Å; A151-R172 PolarHBondContact N-O 2.71Å; A151-R172 PolarHBondContact O-N 3.27Å; T170-R172 PolarHBondContact O-N 2.92Å; R172-V174 PolarHBondContact O-N 3.37Å
173R96.1Very high94.2Very high89 Ų8956.9 Ų56.934%0.33632%0.323SS..EExtended strand (participates in β ladder)trans-61.7129.4173.6-171.9176.2171.1173.32.2110.2E148 Y150 S175E148-R173 IonicContact OE1-CZ 3.83Å; E148-R173 IonicContact OE1-NE 3.09Å; E148-R173 IonicContact OE1-NH1 2.65Å; E148-R173 PolarHBondContact OE1-NH1 3.25Å; E148-R173 IonicContact OE1-NH2 3.7Å; E148-R173 PolarHBondContact OE1-NH2 3.45Å; Y150-R173 HydrophobicContact CD1-CB 4.01Å; Y150-R173 HydrophobicContact CE1-CB 3.66Å; Y150-R173 HydrophobicContact CE1-CG 4.31Å; R173-S175 PolarHBondContact O-N 2.89Å; R173-S175 VanDerWaalsContact O-N 3.15Å
174V96.6Very high94.3Very high6 Ų658.6 Ų58.64%0.03632%0.321CS..  trans-86.181.7176.4-172.10000108.3V149 A151 R172 L178 W205 P224V149-V174 HydrophobicContact CB-CB 4.38Å; V149-V174 HydrophobicContact CG1-CB 4.31Å; V149-V174 HydrophobicContact CG1-CG2 4.06Å; V149-V174 PolarHBondContact O-N 3.19Å; A151-V174 HydrophobicContact CB-CG2 3.81Å; R172-V174 PolarHBondContact O-N 3.37Å; V174-L178 HydrophobicContact CG1-CD1 4.09Å; V174-W205 HydrophobicContact CG1-CZ2 4.36Å; V174-P224 HydrophobicContact CG1-CG 3.28Å
175S86Confident94.4Very high54 Ų5457.9 Ų57.938%0.37832%0.317SS..  trans-100.414.8-166.665.40000115.3R173 Q179R173-S175 PolarHBondContact O-N 2.89Å; R173-S175 VanDerWaalsContact O-N 3.15Å; S175-Q179 WeakPolarHBondContact O-CB 3.32Å
176S86.4Confident94.4Very high49 Ų4954.6 Ų54.634%0.34330%0.296SS..SBendtrans-76.7-107.4179.855.90000111.1L178 Q179 P224S176-L178 PolarHBondContact O-N 3.25Å; S176-Q179 PolarHBondContact O-N 3.17Å; S176-P224 VanDerWaalsContact OG-CD 3.23Å; S176-P224 WeakPolarHBondContact OG-CD 3.34Å; S176-P224 WeakPolarHBondContact OG-CG 3.11Å
177C88.9Confident94.4Very high69 Ų6952.9 Ų52.947%0.46628%0.28SS..THydrogen-bonded Turntrans-67.9-3.7-179.4-60.30000114.1K181 Y203 P224C177-K181 WeakPolarHBondContact O-CD 3.17Å; C177-Y203 HydrophobicContact CB-CD1 4.05Å; C177-Y203 HydrophobicContact CB-CE1 3.78Å; C177-P224 HydrophobicContact CB-CB 4.33Å; C177-P224 WeakPolarHBondContact CB-O 3.47Å; C177-P224 PolarHBondContact SG-O 2.8Å
178L92Very high94.4Very high12 Ų1250.6 Ų50.66%0.06327%0.268CS..THydrogen-bonded Turntrans-104.8-4.2-177.9-63.6177.5000114.2V149 V174 S176 N180 K181 A195 V197 Y203 W205 P224V149-L178 HydrophobicContact CB-CD1 4.48Å; V149-L178 HydrophobicContact CG2-CD1 4.37Å; V174-L178 HydrophobicContact CG1-CD1 4.09Å; S176-L178 PolarHBondContact O-N 3.25Å; L178-N180 PolarHBondContact O-N 3.04Å; L178-K181 HydrophobicContact CD2-CD 4.39Å; L178-K181 PolarHBondContact O-N 3.3Å; L178-K181 VanDerWaalsContact O-N 3.11Å; L178-A195 HydrophobicContact CD1-CB 4.3Å; L178-V197 HydrophobicContact CD2-CG1 4.11Å; L178-Y203 HydrophobicContact CD2-CD1 4.19Å; L178-Y203 HydrophobicContact CD2-CD2 3.87Å; L178-Y203 HydrophobicContact CD2-CE2 4.47Å; L178-Y203 HydrophobicContact CD2-CG 3.75Å; L178-W205 HydrophobicContact CD1-CH2 4.11Å; L178-W205 HydrophobicContact CD1-CZ3 4.09Å; L178-P224 HydrophobicContact CD1-CB 4.18Å; L178-P224 HydrophobicContact CD1-CG 3.88Å; L178-P224 HydrophobicContact CG-CB 4.07Å; L178-P224 HydrophobicContact CG-CG 4.14Å
179Q83.8Confident94.3Very high110 Ų11049.3 Ų49.351%0.51426%0.262SS..THydrogen-bonded Turntrans-55.7-34.2-169.1-164.4170.2-3.600115.1S175 S176S175-Q179 WeakPolarHBondContact O-CB 3.32Å; S176-Q179 PolarHBondContact O-N 3.17Å
180N86.3Confident94.2Very high156 Ų15647.7 Ų47.783%0.83425%0.25SS*.THydrogen-bonded Turntrans-119.129.5-176.8-60.1-33.3000111.5L178L178-N180 PolarHBondContact O-N 3.04Å
181K93.8Very high94.2Very high61 Ų6147.1 Ų47.127%0.26525%0.247SC..SBendtrans-121.2142.2178-65.5-178.2174.9-930109.2C177 L178 A183 V197 E201 Y203C177-K181 WeakPolarHBondContact O-CD 3.17Å; L178-K181 HydrophobicContact CD2-CD 4.39Å; L178-K181 PolarHBondContact O-N 3.3Å; L178-K181 VanDerWaalsContact O-N 3.11Å; K181-A183 PolarHBondContact O-N 3.13Å; K181-V197 HydrophobicContact CB-CB 4.4Å; K181-V197 HydrophobicContact CB-CG1 3.79Å; K181-V197 HydrophobicContact CD-CG1 4.29Å; K181-E201 IonicContact NZ-OE2 3.51Å; K181-E201 PolarHBondContact NZ-OE2 3Å; K181-Y203 HydrophobicContact CD-CE2 3.71Å; K181-Y203 WeakPolarHBondContact CE-OH 3.37Å; K181-Y203 PolarHBondContact NZ-OH 2.83Å
182L96.1Very high94.2Very high74 Ų7447.1 Ų47.139%0.38725%0.247SC..  trans-89.1101.1175-173.574.9000107.9S146 V197 D198S146-L182 WeakPolarHBondContact O-CD1 3.31Å; L182-V197 CarbonylContact O-C 3.6Å; L182-V197 VanDerWaalsContact O-CA 3.23Å; L182-V197 WeakPolarHBondContact O-CA 3.48Å; L182-V197 WeakPolarHBondContact O-CB 3.32Å; L182-D198 HydrophobicContact CB-CB 4.15Å; L182-D198 HydrophobicContact CD2-CB 4.04Å; L182-D198 HydrophobicContact CG-CB 4.43Å; L182-D198 PolarHBondContact O-N 2.92Å
183A97.9Very high94.3Very high6 Ų641.8 Ų41.85%0.0523%0.227CC..EExtended strand (participates in β ladder)trans-70.5136.517100000109.6L143 G147 V149 K181 L196 V197L143-A183 HydrophobicContact CD1-CB 3.65Å; G147-A183 WeakPolarHBondContact CA-O 3.45Å; G147-A183 WeakPolarHBondContact O-CB 3.22Å; G147-A183 PolarHBondContact O-N 3.42Å; V149-A183 HydrophobicContact CG2-CB 3.51Å; K181-A183 PolarHBondContact O-N 3.13Å; A183-L196 CarbonylContact C-O 3.38Å; A183-L196 WeakPolarHBondContact CA-O 3.4Å; A183-V197 HydrophobicContact CB-CG1 4.4Å
184I97.7Very high94.4Very high80 Ų8037.5 Ų37.541%0.4121%0.211SC..EExtended strand (participates in β ladder)trans-116-13.9-179.661165000112.8L196 D198I184-L196 HydrophobicContact CD1-CD2 3.94Å; I184-L196 HydrophobicContact CD1-CG 3.99Å; I184-L196 HydrophobicContact CG1-CB 4.37Å; I184-L196 HydrophobicContact CG1-CD2 4.16Å; I184-L196 HydrophobicContact CG1-CG 3.87Å; I184-L196 WeakPolarHBondContact CG1-O 3.26Å; I184-L196 PolarHBondContact N-O 3.49Å; I184-D198 HydrophobicContact CG2-CB 3.85Å
185S98.3Very high94.5Very high27 Ų2737.2 Ų37.219%0.18921%0.209CC..EExtended strand (participates in β ladder)trans-157.4150.2172.3176.60000111.4E132 A195 L196E132-S185 PolarHBondContact OE1-OG 3.3Å; E132-S185 WeakPolarHBondContact OE2-CA 3.25Å; S185-A195 WeakPolarHBondContact O-CA 3.36Å; S185-L196 PolarHBondContact N-O 3.13Å; S185-L196 PolarHBondContact O-N 3.37Å
186I98.6Very high95.1Very high4 Ų434.7 Ų34.72%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-127.9141.2177.652.3164.1000111.3E132 A134 M141 L143 V149 A195E132-I186 HydrophobicContact CB-CG1 4.48Å; E132-I186 HydrophobicContact CG-CD1 4.42Å; E132-I186 HydrophobicContact CG-CG1 3.86Å; E132-I186 PolarHBondContact OE1-N 3.27Å; E132-I186 VanDerWaalsContact OE1-O 3.06Å; A134-I186 HydrophobicContact CB-CD1 4.01Å; A134-I186 HydrophobicContact CB-CG1 4.13Å; M141-I186 HydrophobicContact CB-CD1 3.76Å; M141-I186 HydrophobicContact CE-CB 3.77Å; M141-I186 HydrophobicContact CE-CG2 3.67Å; L143-I186 HydrophobicContact CB-CD1 3.9Å; L143-I186 HydrophobicContact CB-CG1 4Å; L143-I186 HydrophobicContact CB-CG2 4.18Å; V149-I186 HydrophobicContact CG1-CG2 4.1Å; V149-I186 HydrophobicContact CG2-CG2 3.93Å; I186-A195 HydrophobicContact CG2-CB 4.47Å
187V98.1Very high95.6Very high20 Ų2032.4 Ų32.412%0.12118%0.175CC..EExtended strand (participates in β ladder)trans-140139.9-178.8-179.40000110.7S193 L194 I238V187-S193 CarbonylContact O-C 3.13Å; V187-S193 WeakPolarHBondContact O-CA 3.5Å; V187-L194 HydrophobicContact CB-CB 4.38Å; V187-L194 PolarHBondContact N-O 3.39Å; V187-L194 PolarHBondContact O-N 3.2Å; V187-I238 HydrophobicContact CB-CD1 4.26Å; V187-I238 HydrophobicContact CG2-CB 4.42Å; V187-I238 HydrophobicContact CG2-CD1 3.8Å; V187-I238 HydrophobicContact CG2-CG1 3.71Å; V187-I238 WeakPolarHBondContact CG2-O 3.28Å
188C97.8Very high96Very high8 Ų833.6 Ų33.65%0.05418%0.177CC..EExtended strand (participates in β ladder)trans-109.7132.8171.5-69.80000110.6A134 C135 G136 H139 M141 H293A134-C188 HydrophobicContact CB-CB 4.41Å; C135-C188 VanDerWaalsContact O-CB 3.25Å; C135-C188 WeakPolarHBondContact O-CB 3.39Å; G136-C188 VanDerWaalsContact N-CB 3.34Å; H139-C188 PolarHBondContact NE2-SG 3.27Å; H139-C188 VanDerWaalsContact NE2-SG 3.37Å; M141-C188 VanDerWaalsContact SD-SG 3.61Å; C188-H293 WeakPolarHBondContact O-CB 3.2Å
189G96.7Very high96Very high1 Ų136.9 Ų36.91%0.0120%0.195CC..  trans-83.5-168.2152.200000110G136 T191 S192G136-G189 WeakPolarHBondContact CA-O 3.25Å; G189-T191 PolarHBondContact O-N 3.12Å; G189-S192 PolarHBondContact N-O 3.16Å
190Q95.6Very high96.6Very high20 Ų2031.9 Ų31.99%0.09317%0.172CC..SBendtrans-57.8-49.1175-82.4-68.2-5600112.2S83 S137 Y242 H293S83-Q190 PolarHBondContact OG-NE2 2.9Å; S83-Q190 PolarHBondContact OG-OE1 3.41Å; S137-Q190 VanDerWaalsContact CB-O 3.22Å; S137-Q190 WeakPolarHBondContact CB-O 3.49Å; S137-Q190 PolarHBondContact N-O 2.78Å; S137-Q190 PolarHBondContact OG-O 2.99Å; Q190-Y242 WeakPolarHBondContact CB-O 3.24Å; Q190-Y242 HydrophobicContact CG-CD1 4.25Å; Q190-Y242 HydrophobicContact CG-CD2 3.43Å; Q190-Y242 VanDerWaalsContact CG-CD2 3.43Å; Q190-Y242 HydrophobicContact CG-CE1 4.29Å; Q190-Y242 HydrophobicContact CG-CE2 3.48Å; Q190-Y242 VanDerWaalsContact CG-CE2 3.48Å; Q190-Y242 HydrophobicContact CG-CG 3.83Å; Q190-Y242 WeakPolarHBondContact CG-O 3.16Å; Q190-Y242 PolarHBondContact N-O 3.34Å; Q190-H293 VanDerWaalsContact CG-O 3.3Å; Q190-H293 WeakPolarHBondContact CG-O 3.49Å; Q190-H293 PolarHBondContact NE2-CD2 3.09Å; Q190-H293 PolarHBondContact NE2-O 3.2Å
191T97.1Very high97.1Very high30 Ų3026.1 Ų26.118%0.18414%0.14CC..SBendtrans-134.620.8-172.252.50000112.7Q159 G189 Y207Q159-T191 WeakPolarHBondContact CB-O 3.44Å; G189-T191 PolarHBondContact O-N 3.12Å; T191-Y207 VanDerWaalsContact O-CB 3.27Å; T191-Y207 WeakPolarHBondContact O-CB 3.42Å; T191-Y207 PolarHBondContact O-N 2.97Å; T191-Y207 WeakPolarHBondContact OG1-CB 3.36Å; T191-Y207 WeakPolarHBondContact OG1-CD1 3.13Å
192S98.1Very high97.3Very high1 Ų123.4 Ų23.41%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-136.6158.8179.256.30000110.2G189 W205G189-S192 PolarHBondContact N-O 3.16Å; S192-W205 WeakPolarHBondContact CA-O 3.35Å
193S98.6Very high97.5Very high0 Ų020.5 Ų20.50%011%0.113CC..EExtended strand (participates in β ladder)trans-132.6145.8-178.7-560000109.7H139 M141 Q159 V187 G204 W205H139-S193 PolarHBondContact NE2-OG 2.91Å; M141-S193 WeakPolarHBondContact SD-CB 3.39Å; M141-S193 PolarHBondContact SD-OG 3.01Å; Q159-S193 PolarHBondContact O-OG 3.24Å; V187-S193 CarbonylContact O-C 3.13Å; V187-S193 WeakPolarHBondContact O-CA 3.5Å; S193-G204 WeakPolarHBondContact O-CA 3.06Å; S193-W205 VanDerWaalsContact CB-NE1 3.29Å; S193-W205 PolarHBondContact N-O 3.18Å; S193-W205 PolarHBondContact O-N 3.43Å
194L98.6Very high97.5Very high0 Ų020.2 Ų20.20%011%0.11CC..EExtended strand (participates in β ladder)trans-131.6147.8175.6-63.4166.9000109.4V187 V202 Y203 I238 S240V187-L194 HydrophobicContact CB-CB 4.38Å; V187-L194 PolarHBondContact N-O 3.39Å; V187-L194 PolarHBondContact O-N 3.2Å; L194-V202 HydrophobicContact CD2-CG1 4.2Å; L194-Y203 CarbonylContact C-O 3.51Å; L194-Y203 WeakPolarHBondContact CA-O 3.36Å; L194-I238 HydrophobicContact CB-CD1 3.87Å; L194-S240 WeakPolarHBondContact CD1-OG 3.32Å
195A98.5Very high97.5Very high0 Ų016.4 Ų16.40%09%0.091CC..EExtended strand (participates in β ladder)trans-131.7136.8167.200000109.6L178 S185 I186 Y203 W205L178-A195 HydrophobicContact CD1-CB 4.3Å; S185-A195 WeakPolarHBondContact O-CA 3.36Å; I186-A195 HydrophobicContact CG2-CB 4.47Å; A195-Y203 PolarHBondContact N-O 2.8Å; A195-Y203 PolarHBondContact O-N 3.19Å; A195-W205 HydrophobicContact CB-CH2 3.88Å; A195-W205 HydrophobicContact CB-CZ3 3.91Å
196L98.4Very high97.5Very high1 Ų115.1 Ų15.11%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-100.5131.4168.9176.263.2000108.1A183 I184 S185 V202 V235 Q236 I238A183-L196 CarbonylContact C-O 3.38Å; A183-L196 WeakPolarHBondContact CA-O 3.4Å; I184-L196 HydrophobicContact CD1-CD2 3.94Å; I184-L196 HydrophobicContact CD1-CG 3.99Å; I184-L196 HydrophobicContact CG1-CB 4.37Å; I184-L196 HydrophobicContact CG1-CD2 4.16Å; I184-L196 HydrophobicContact CG1-CG 3.87Å; I184-L196 WeakPolarHBondContact CG1-O 3.26Å; I184-L196 PolarHBondContact N-O 3.49Å; S185-L196 PolarHBondContact N-O 3.13Å; S185-L196 PolarHBondContact O-N 3.37Å; L196-V202 HydrophobicContact CD1-CG2 4Å; L196-V235 HydrophobicContact CD1-CB 3.79Å; L196-V235 HydrophobicContact CD1-CG1 3.93Å; L196-V235 WeakPolarHBondContact CD1-O 3.4Å; L196-V235 HydrophobicContact CD2-CG1 4.41Å; L196-Q236 WeakPolarHBondContact CD2-O 3.38Å; L196-I238 HydrophobicContact CB-CD1 3.76Å; L196-I238 HydrophobicContact CB-CG1 3.94Å
197V97.6Very high97.5Very high0 Ų018.9 Ų18.90%010%0.096CC..EExtended strand (participates in β ladder)trans-105.1161.2176.2-64.60000111.3L178 K181 L182 A183 N199 G200 E201 Y203L178-V197 HydrophobicContact CD2-CG1 4.11Å; K181-V197 HydrophobicContact CB-CB 4.4Å; K181-V197 HydrophobicContact CB-CG1 3.79Å; K181-V197 HydrophobicContact CD-CG1 4.29Å; L182-V197 CarbonylContact O-C 3.6Å; L182-V197 VanDerWaalsContact O-CA 3.23Å; L182-V197 WeakPolarHBondContact O-CA 3.48Å; L182-V197 WeakPolarHBondContact O-CB 3.32Å; A183-V197 HydrophobicContact CB-CG1 4.4Å; V197-N199 WeakPolarHBondContact CG2-OD1 3.36Å; V197-N199 PolarHBondContact O-N 2.76Å; V197-N199 VanDerWaalsContact O-N 3.11Å; V197-G200 PolarHBondContact O-N 3.3Å; V197-E201 HydrophobicContact CG2-CB 3.63Å; V197-E201 WeakPolarHBondContact CG2-O 3.48Å; V197-E201 PolarHBondContact N-O 3.38Å; V197-Y203 HydrophobicContact CG1-CD2 4.4Å; V197-Y203 HydrophobicContact CG2-CD2 4.37Å; V197-Y203 HydrophobicContact CG2-CE2 4.09Å
198D95.6Very high97.5Very high94 Ų9417.9 Ų17.950%0.5039%0.09SC..THydrogen-bonded Turntrans-53-29.3-173.565.1-21.9000115.8L182 I184 G200L182-D198 HydrophobicContact CB-CB 4.15Å; L182-D198 HydrophobicContact CD2-CB 4.04Å; L182-D198 HydrophobicContact CG-CB 4.43Å; L182-D198 PolarHBondContact O-N 2.92Å; I184-D198 HydrophobicContact CG2-CB 3.85Å; D198-G200 VanDerWaalsContact C-N 3.26Å; D198-G200 PolarHBondContact O-N 3.43Å
199N93.3Very high97.6Very high82 Ų8218.9 Ų18.944%0.43910%0.102SC..THydrogen-bonded Turntrans-84.77.817672.3-0.9000114.2V197 E201V197-N199 WeakPolarHBondContact CG2-OD1 3.36Å; V197-N199 PolarHBondContact O-N 2.76Å; V197-N199 VanDerWaalsContact O-N 3.11Å; N199-E201 PolarHBondContact ND2-OE2 2.84Å; N199-E201 VanDerWaalsContact OD1-CB 3.29Å; N199-E201 WeakPolarHBondContact OD1-CB 3.29Å; N199-E201 VanDerWaalsContact OD1-CG 3.24Å; N199-E201 WeakPolarHBondContact OD1-CG 3.37Å; N199-E201 PolarHBondContact OD1-N 3.22Å; N199-E201 PolarHBondContact OD1-OE2 3.17Å
200G96.1Very high97.6Very high4 Ų421 Ų214%0.04111%0.113CC..SBendtrans82.42.3179.700000115.2V197 D198 V235V197-G200 PolarHBondContact O-N 3.3Å; D198-G200 VanDerWaalsContact C-N 3.26Å; D198-G200 PolarHBondContact O-N 3.43Å; G200-V235 WeakPolarHBondContact O-CB 3.02Å; G200-V235 PolarHBondContact O-N 3.3Å
201E97.2Very high97.7Very high36 Ų3620.1 Ų20.117%0.16811%0.109CC..  trans-75.6143.3176.2-65.3172.915000112.1K181 V197 N199 Y203 R226K181-E201 IonicContact NZ-OE2 3.51Å; K181-E201 PolarHBondContact NZ-OE2 3Å; V197-E201 HydrophobicContact CG2-CB 3.63Å; V197-E201 WeakPolarHBondContact CG2-O 3.48Å; V197-E201 PolarHBondContact N-O 3.38Å; N199-E201 PolarHBondContact ND2-OE2 2.84Å; N199-E201 VanDerWaalsContact OD1-CB 3.29Å; N199-E201 WeakPolarHBondContact OD1-CB 3.29Å; N199-E201 VanDerWaalsContact OD1-CG 3.24Å; N199-E201 WeakPolarHBondContact OD1-CG 3.37Å; N199-E201 PolarHBondContact OD1-N 3.22Å; N199-E201 PolarHBondContact OD1-OE2 3.17Å; E201-Y203 HydrophobicContact CB-CE2 3.95Å; E201-Y203 PolarHBondContact OE2-OH 2.63Å; E201-R226 IonicContact OE1-CZ 3.58Å; E201-R226 IonicContact OE1-NE 3.19Å; E201-R226 PolarHBondContact OE1-NE 3.22Å; E201-R226 IonicContact OE1-NH1 2.7Å; E201-R226 IonicContact OE1-NH2 2.79Å; E201-R226 PolarHBondContact OE1-NH2 2.9Å
202V98.3Very high97.8Very high3 Ų318.8 Ų18.82%0.01810%0.1CC..EExtended strand (participates in β ladder)trans-109.3134.3177.6-176.40000110.6L194 L196 L227 L230 V235 I238L194-V202 HydrophobicContact CD2-CG1 4.2Å; L196-V202 HydrophobicContact CD1-CG2 4Å; V202-L227 HydrophobicContact CB-CB 4.47Å; V202-L227 HydrophobicContact CG1-CD1 4.29Å; V202-L227 HydrophobicContact CG1-CD2 4.28Å; V202-L227 PolarHBondContact O-N 3.37Å; V202-L230 HydrophobicContact CG2-CD1 4.2Å; V202-V235 HydrophobicContact CG2-CB 3.98Å; V202-V235 HydrophobicContact CG2-CG1 3.98Å; V202-V235 HydrophobicContact CG2-CG2 3.86Å; V202-I238 HydrophobicContact CG1-CG2 4.26Å; V202-I238 HydrophobicContact CG2-CG2 3.85Å
203Y98.4Very high97.8Very high14 Ų1418.7 Ų18.76%0.05510%0.1CC..EExtended strand (participates in β ladder)trans-118.1134.3175.3-73.3-98.1000110C177 L178 K181 L194 A195 V197 E201 P224 C225 R226C177-Y203 HydrophobicContact CB-CD1 4.05Å; C177-Y203 HydrophobicContact CB-CE1 3.78Å; L178-Y203 HydrophobicContact CD2-CD1 4.19Å; L178-Y203 HydrophobicContact CD2-CD2 3.87Å; L178-Y203 HydrophobicContact CD2-CE2 4.47Å; L178-Y203 HydrophobicContact CD2-CG 3.75Å; K181-Y203 HydrophobicContact CD-CE2 3.71Å; K181-Y203 WeakPolarHBondContact CE-OH 3.37Å; K181-Y203 PolarHBondContact NZ-OH 2.83Å; L194-Y203 CarbonylContact C-O 3.51Å; L194-Y203 WeakPolarHBondContact CA-O 3.36Å; A195-Y203 PolarHBondContact N-O 2.8Å; A195-Y203 PolarHBondContact O-N 3.19Å; V197-Y203 HydrophobicContact CG1-CD2 4.4Å; V197-Y203 HydrophobicContact CG2-CD2 4.37Å; V197-Y203 HydrophobicContact CG2-CE2 4.09Å; E201-Y203 HydrophobicContact CB-CE2 3.95Å; E201-Y203 PolarHBondContact OE2-OH 2.63Å; Y203-P224 HydrophobicContact CD1-CB 4.32Å; Y203-C225 CarbonylContact C-O 3.5Å; Y203-C225 WeakPolarHBondContact CA-O 3.46Å; Y203-R226 HydrophobicContact CD1-CB 4.12Å; Y203-R226 HydrophobicContact CE1-CB 3.61Å; Y203-R226 HydrophobicContact CE1-CG 4.23Å; Y203-R226 HydrophobicContact CE2-CG 4.42Å
204G98.2Very high97.7Very high0 Ų018.8 Ų18.80%010%0.1CC..EExtended strand (participates in β ladder)trans-129146178.500000113.8S193 C225S193-G204 WeakPolarHBondContact O-CA 3.06Å; G204-C225 PolarHBondContact N-O 3.36Å; G204-C225 PolarHBondContact O-N 3.04Å
205W98.7Very high97.7Very high0 Ų020.3 Ų20.30%011%0.109CC..EExtended strand (participates in β ladder)trans-151.5168.5174.462.892.9000113.2M141 V149 Q159 G161 V174 L178 S192 S193 A195 L213 Q221 P224M141-W205 HydrophobicContact CE-CH2 3.7Å; M141-W205 HydrophobicContact CE-CZ2 3.5Å; M141-W205 HydrophobicContact SD-CZ2 4.08Å; V149-W205 HydrophobicContact CG1-CH2 4.45Å; Q159-W205 VanDerWaalsContact O-CD1 3.28Å; Q159-W205 PolarHBondContact O-NE1 3.27Å; G161-W205 VanDerWaalsContact CA-CD1 3.41Å; G161-W205 VanDerWaalsContact N-CD1 3.34Å; V174-W205 HydrophobicContact CG1-CZ2 4.36Å; L178-W205 HydrophobicContact CD1-CH2 4.11Å; L178-W205 HydrophobicContact CD1-CZ3 4.09Å; S192-W205 WeakPolarHBondContact CA-O 3.35Å; S193-W205 VanDerWaalsContact CB-NE1 3.29Å; S193-W205 PolarHBondContact N-O 3.18Å; S193-W205 PolarHBondContact O-N 3.43Å; A195-W205 HydrophobicContact CB-CH2 3.88Å; A195-W205 HydrophobicContact CB-CZ3 3.91Å; W205-L213 WeakPolarHBondContact O-CD2 3.41Å; W205-Q221 HydrophobicContact CB-CB 4.3Å; W205-P224 HydrophobicContact CD2-CB 4.29Å; W205-P224 HydrophobicContact CD2-CG 3.87Å; W205-P224 HydrophobicContact CE3-CB 3.67Å; W205-P224 HydrophobicContact CE3-CG 3.64Å; W205-P224 HydrophobicContact CG-CG 4.41Å; W205-P224 HydrophobicContact CZ3-CB 4.12Å; W205-P224 HydrophobicContact CZ3-CG 4.03Å
206G98.6Very high97.7Very high0 Ų022.3 Ų22.30%013%0.129CC..EExtended strand (participates in β ladder)trans98.9-148.1-175.800000113.8C157 N220 Q221C157-G206 CarbonylContact O-C 3.13Å; C157-G206 VanDerWaalsContact O-CA 3.32Å; C157-G206 WeakPolarHBondContact O-CA 3.31Å; G206-N220 VanDerWaalsContact O-CA 3.31Å; G206-N220 WeakPolarHBondContact O-CA 3.47Å; G206-Q221 PolarHBondContact N-O 2.73Å; G206-Q221 PolarHBondContact O-N 3.48Å
207Y98.6Very high97.6Very high82 Ų8225.3 Ų25.332%0.32215%0.145SC..  trans-67.7136.2-177.3-174.7-115.8000111.8C157 T191 Q212 N220C157-Y207 HydrophobicContact CB-CD2 4.23Å; C157-Y207 HydrophobicContact CB-CG 4.41Å; T191-Y207 VanDerWaalsContact O-CB 3.27Å; T191-Y207 WeakPolarHBondContact O-CB 3.42Å; T191-Y207 PolarHBondContact O-N 2.97Å; T191-Y207 WeakPolarHBondContact OG1-CB 3.36Å; T191-Y207 WeakPolarHBondContact OG1-CD1 3.13Å; Y207-Q212 VanDerWaalsContact CD1-NE2 3.26Å; Y207-Q212 WeakPolarHBondContact O-CG 3.47Å; Y207-Q212 PolarHBondContact O-NE2 3.13Å; Y207-N220 WeakPolarHBondContact CA-OD1 3.09Å; Y207-N220 VanDerWaalsContact CD2-OD1 3.29Å; Y207-N220 WeakPolarHBondContact CD2-OD1 3.4Å
208N98.4Very high97.6Very high0 Ų029.2 Ų29.20%017%0.166CC..  trans-136.417.5-177.5-164.832.8000113.5N210 G211 Q212 L213 N217 N218 G219 N220N208-N210 PolarHBondContact O-N 2.83Å; N208-G211 PolarHBondContact O-N 3.37Å; N208-G211 WeakPolarHBondContact OD1-CA 3.47Å; N208-Q212 PolarHBondContact OD1-N 3.35Å; N208-L213 HydrophobicContact CB-CB 4.35Å; N208-L213 HydrophobicContact CB-CD1 3.7Å; N208-L213 HydrophobicContact CB-CG 3.77Å; N208-L213 WeakPolarHBondContact OD1-CB 3.34Å; N208-L213 PolarHBondContact OD1-N 3.09Å; N208-N217 PolarHBondContact ND2-O 3.21Å; N208-N217 PolarHBondContact ND2-OD1 3.3Å; N208-N218 CarbonylContact C-O 3.2Å; N208-N218 CarbonylContact O-C 3.4Å; N208-N218 WeakPolarHBondContact O-CA 3.45Å; N208-N218 PolarHBondContact O-OD1 3.21Å; N208-G219 WeakPolarHBondContact CB-O 3.06Å; N208-G219 PolarHBondContact ND2-O 2.82Å; N208-G219 VanDerWaalsContact ND2-O 3.08Å; N208-N220 PolarHBondContact N-OD1 3.32Å
209G98.3Very high97.7Very high28 Ų2826.3 Ų26.329%0.28916%0.159SC..THydrogen-bonded Turntrans-61.5-17.5-175.100000115N218G209-N218 PolarHBondContact O-OD1 2.94Å
210N97.9Very high98Very high47 Ų4725.6 Ų25.625%0.25115%0.154SC..THydrogen-bonded Turntrans-108.86.8174.1-60.7-67.6000113.6N208 G258 A259 N272N208-N210 PolarHBondContact O-N 2.83Å; N210-G258 CarbonylContact O-C 3.59Å; N210-G258 WeakPolarHBondContact O-CA 3.48Å; N210-A259 HydrophobicContact CB-CB 3.83Å; N210-N272 PolarHBondContact OD1-ND2 3.07Å
211G97.9Very high98.1Very high0 Ų027.8 Ų27.80%016%0.164CC..SBendtrans78.715.2-174.200000114.5N208 L213 G214 N218N208-G211 PolarHBondContact O-N 3.37Å; N208-G211 WeakPolarHBondContact OD1-CA 3.47Å; G211-L213 PolarHBondContact O-N 3.31Å; G211-G214 PolarHBondContact O-N 3.22Å; G211-N218 PolarHBondContact N-OD1 3.26Å; G211-N218 VanDerWaalsContact N-OD1 3.08Å
212Q97.8Very high98.1Very high2 Ų229.2 Ų29.21%0.00917%0.172CC..THydrogen-bonded Turntrans-62.7-13-176.361.7-117.775.100115.1Y207 N208 A243 S245 W257Y207-Q212 VanDerWaalsContact CD1-NE2 3.26Å; Y207-Q212 WeakPolarHBondContact O-CG 3.47Å; Y207-Q212 PolarHBondContact O-NE2 3.13Å; N208-Q212 PolarHBondContact OD1-N 3.35Å; Q212-A243 WeakPolarHBondContact CB-O 3.4Å; Q212-S245 PolarHBondContact O-OG 3.14Å; Q212-W257 PolarHBondContact O-NE1 2.84Å
213L98.3Very high98.1Very high0 Ų031 Ų310%019%0.185CC..THydrogen-bonded Turntrans-88.1-10.6171.7-55-173.6000113W205 N208 G211 L215 Q221 L227W205-L213 WeakPolarHBondContact O-CD2 3.41Å; N208-L213 HydrophobicContact CB-CB 4.35Å; N208-L213 HydrophobicContact CB-CD1 3.7Å; N208-L213 HydrophobicContact CB-CG 3.77Å; N208-L213 WeakPolarHBondContact OD1-CB 3.34Å; N208-L213 PolarHBondContact OD1-N 3.09Å; G211-L213 PolarHBondContact O-N 3.31Å; L213-L215 VanDerWaalsContact C-N 3.3Å; L213-L215 HydrophobicContact CB-CD1 3.85Å; L213-L215 HydrophobicContact CB-CG 3.83Å; L213-L215 HydrophobicContact CD1-CD1 4.06Å; L213-L215 PolarHBondContact O-N 3.47Å; L213-Q221 HydrophobicContact CD1-CB 3.87Å; L213-Q221 HydrophobicContact CD1-CG 3.59Å; L213-L227 WeakPolarHBondContact O-CD1 3.27Å; L213-L227 WeakPolarHBondContact O-CD2 3.41Å; L213-L227 WeakPolarHBondContact O-CG 3.42Å
214G98Very high98.1Very high1 Ų130.5 Ų30.51%0.0118%0.183CC..  trans7022.9173.700000114.7G211 L274 P276G211-G214 PolarHBondContact O-N 3.22Å; G214-L274 CarbonylContact C-O 3.56Å; G214-L274 WeakPolarHBondContact CA-O 3.5Å; G214-P276 VanDerWaalsContact O-CD 3.28Å; G214-P276 WeakPolarHBondContact O-CD 3.39Å
215L97.9Very high98Very high33 Ų3332.5 Ų32.517%0.17320%0.197CC..SBendtrans-919.7-172.8-57.4175.5000114.1L213 N217 Q221 C225 L227 L274L213-L215 VanDerWaalsContact C-N 3.3Å; L213-L215 HydrophobicContact CB-CD1 3.85Å; L213-L215 HydrophobicContact CB-CG 3.83Å; L213-L215 HydrophobicContact CD1-CD1 4.06Å; L213-L215 PolarHBondContact O-N 3.47Å; L215-N217 PolarHBondContact O-N 2.61Å; L215-N217 PolarHBondContact O-ND2 3.01Å; L215-Q221 HydrophobicContact CD1-CG 3.3Å; L215-C225 HydrophobicContact CD1-CB 4.06Å; L215-C225 HydrophobicContact CD2-CB 4.3Å; L215-L227 HydrophobicContact CD2-CD1 3.95Å; L215-L227 HydrophobicContact CD2-CG 4.19Å; L215-L274 PolarHBondContact N-O 3.1Å; L215-L274 VanDerWaalsContact N-O 3.16Å
216G97.6Very high97.9Very high41 Ų4136.2 Ų36.242%0.42321%0.211SC..SBendtrans70.913.7-175.100000114.4L274 S275G216-L274 WeakPolarHBondContact CA-O 3.17Å; G216-L274 PolarHBondContact N-O 2.91Å; G216-S275 VanDerWaalsContact CA-OG 3.26Å; G216-S275 WeakPolarHBondContact CA-OG 3.35Å
217N97.4Very high97.9Very high65 Ų6536.4 Ų36.435%0.34821%0.212SC..SBendtrans-150.2176.3-179.768.375.7000110.9N208 L215 G219N208-N217 PolarHBondContact ND2-O 3.21Å; N208-N217 PolarHBondContact ND2-OD1 3.3Å; L215-N217 PolarHBondContact O-N 2.61Å; L215-N217 PolarHBondContact O-ND2 3.01Å; N217-G219 PolarHBondContact OD1-N 3.27Å
218N97.4Very high97.7Very high81 Ų8136.8 Ų36.843%0.43322%0.222SC..  trans-109.913.9179-74.2-44.8000114.2N208 G209 G211 L274N208-N218 CarbonylContact C-O 3.2Å; N208-N218 CarbonylContact O-C 3.4Å; N208-N218 WeakPolarHBondContact O-CA 3.45Å; N208-N218 PolarHBondContact O-OD1 3.21Å; G209-N218 PolarHBondContact O-OD1 2.94Å; G211-N218 PolarHBondContact N-OD1 3.26Å; G211-N218 VanDerWaalsContact N-OD1 3.08Å; N218-L274 WeakPolarHBondContact OD1-CD2 3.41Å
219G98.3Very high97.5Very high34 Ų3439 Ų3935%0.35125%0.246SC..  trans-82.3129.6-178.400000111.8N208 N217 Q221N208-G219 WeakPolarHBondContact CB-O 3.06Å; N208-G219 PolarHBondContact ND2-O 2.82Å; N208-G219 VanDerWaalsContact ND2-O 3.08Å; N217-G219 PolarHBondContact OD1-N 3.27Å; G219-Q221 PolarHBondContact O-NE2 3.19Å; G219-Q221 VanDerWaalsContact O-NE2 3.16Å
220N98.5Very high97.4Very high66 Ų6638.1 Ų38.135%0.35323%0.234SC..  trans-57.1148.2172.5-65.3-12.4000110.6G206 Y207 N208G206-N220 VanDerWaalsContact O-CA 3.31Å; G206-N220 WeakPolarHBondContact O-CA 3.47Å; Y207-N220 WeakPolarHBondContact CA-OD1 3.09Å; Y207-N220 VanDerWaalsContact CD2-OD1 3.29Å; Y207-N220 WeakPolarHBondContact CD2-OD1 3.4Å; N208-N220 PolarHBondContact N-OD1 3.32Å
221Q98.2Very high97.2Very high50 Ų5041.8 Ų41.823%0.23425%0.25CC..EExtended strand (participates in β ladder)trans-116.3117.5176.5-60.8-57.3-51.400109.9W205 G206 L213 L215 G219 S223 C225W205-Q221 HydrophobicContact CB-CB 4.3Å; G206-Q221 PolarHBondContact N-O 2.73Å; G206-Q221 PolarHBondContact O-N 3.48Å; L213-Q221 HydrophobicContact CD1-CB 3.87Å; L213-Q221 HydrophobicContact CD1-CG 3.59Å; L215-Q221 HydrophobicContact CD1-CG 3.3Å; G219-Q221 PolarHBondContact O-NE2 3.19Å; G219-Q221 VanDerWaalsContact O-NE2 3.16Å; Q221-S223 PolarHBondContact O-N 3.4Å; Q221-C225 HydrophobicContact CG-CB 4.13Å
222L98Very high96.7Very high66 Ų6645.9 Ų45.935%0.34629%0.292SS..EExtended strand (participates in β ladder)trans-78.4-8178.9-53.7-175.6000113G161 S162 G163 T165G161-L222 CarbonylContact C-O 3.19Å; G161-L222 WeakPolarHBondContact CA-O 3.4Å; S162-L222 PolarHBondContact N-O 3.33Å; G163-L222 VanDerWaalsContact CA-O 3.3Å; G163-L222 WeakPolarHBondContact CA-O 3.48Å; G163-L222 PolarHBondContact N-O 3.11Å; T165-L222 HydrophobicContact CG2-CD1 4.45Å; T165-L222 HydrophobicContact CG2-CD2 3.73Å
223S97.6Very high96.5Very high41 Ų4147.8 Ų47.829%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-144.1151.1179.3-68.80000109.6G163 Q221 C225G163-S223 WeakPolarHBondContact CA-OG 3.41Å; G163-S223 PolarHBondContact N-OG 3.38Å; Q221-S223 PolarHBondContact O-N 3.4Å; S223-C225 PolarHBondContact O-N 2.74Å
224P97.9Very high96.4Very high3 Ų350.1 Ų50.12%0.01932%0.32CS..EExtended strand (participates in β ladder)trans-43.7124.3173.7-27.321.2000113.5V174 S176 C177 L178 Y203 W205V174-P224 HydrophobicContact CG1-CG 3.28Å; S176-P224 VanDerWaalsContact OG-CD 3.23Å; S176-P224 WeakPolarHBondContact OG-CD 3.34Å; S176-P224 WeakPolarHBondContact OG-CG 3.11Å; C177-P224 HydrophobicContact CB-CB 4.33Å; C177-P224 WeakPolarHBondContact CB-O 3.47Å; C177-P224 PolarHBondContact SG-O 2.8Å; L178-P224 HydrophobicContact CD1-CB 4.18Å; L178-P224 HydrophobicContact CD1-CG 3.88Å; L178-P224 HydrophobicContact CG-CB 4.07Å; L178-P224 HydrophobicContact CG-CG 4.14Å; Y203-P224 HydrophobicContact CD1-CB 4.32Å; W205-P224 HydrophobicContact CD2-CB 4.29Å; W205-P224 HydrophobicContact CD2-CG 3.87Å; W205-P224 HydrophobicContact CE3-CB 3.67Å; W205-P224 HydrophobicContact CE3-CG 3.64Å; W205-P224 HydrophobicContact CG-CG 4.41Å; W205-P224 HydrophobicContact CZ3-CB 4.12Å; W205-P224 HydrophobicContact CZ3-CG 4.03Å
225C97.4Very high96.4Very high42 Ų4250.3 Ų50.328%0.28432%0.32SS..EExtended strand (participates in β ladder)trans-122.7134.6176.7-168.50000109.5Y203 G204 L215 Q221 S223Y203-C225 CarbonylContact C-O 3.5Å; Y203-C225 WeakPolarHBondContact CA-O 3.46Å; G204-C225 PolarHBondContact N-O 3.36Å; G204-C225 PolarHBondContact O-N 3.04Å; L215-C225 HydrophobicContact CD1-CB 4.06Å; L215-C225 HydrophobicContact CD2-CB 4.3Å; Q221-C225 HydrophobicContact CG-CB 4.13Å; S223-C225 PolarHBondContact O-N 2.74Å
226R96.9Very high96.3Very high79 Ų7954 Ų5430%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-70132.6-178.9-173.4-178.5174.2-163.42.6110.2E201 Y203 V228E201-R226 IonicContact OE1-CZ 3.58Å; E201-R226 IonicContact OE1-NE 3.19Å; E201-R226 PolarHBondContact OE1-NE 3.22Å; E201-R226 IonicContact OE1-NH1 2.7Å; E201-R226 IonicContact OE1-NH2 2.79Å; E201-R226 PolarHBondContact OE1-NH2 2.9Å; Y203-R226 HydrophobicContact CD1-CB 4.12Å; Y203-R226 HydrophobicContact CE1-CB 3.61Å; Y203-R226 HydrophobicContact CE1-CG 4.23Å; Y203-R226 HydrophobicContact CE2-CG 4.42Å; R226-V228 PolarHBondContact O-N 3.29Å
227L97.2Very high96.3Very high3 Ų354.3 Ų54.32%0.01633%0.327CS..  trans-75.192.1169.4-88.371000110.2V202 L213 L215 G229 L230 W257 P276V202-L227 HydrophobicContact CB-CB 4.47Å; V202-L227 HydrophobicContact CG1-CD1 4.29Å; V202-L227 HydrophobicContact CG1-CD2 4.28Å; V202-L227 PolarHBondContact O-N 3.37Å; L213-L227 WeakPolarHBondContact O-CD1 3.27Å; L213-L227 WeakPolarHBondContact O-CD2 3.41Å; L213-L227 WeakPolarHBondContact O-CG 3.42Å; L215-L227 HydrophobicContact CD2-CD1 3.95Å; L215-L227 HydrophobicContact CD2-CG 4.19Å; L227-G229 PolarHBondContact O-N 3.23Å; L227-L230 HydrophobicContact CD2-CD1 4.34Å; L227-L230 PolarHBondContact O-N 3.5Å; L227-W257 HydrophobicContact CD2-CH2 4.15Å; L227-W257 HydrophobicContact CD2-CZ2 3.55Å; L227-P276 HydrophobicContact CD2-CG 4.11Å
228V95.1Very high96.4Very high90 Ų9051.4 Ų51.455%0.54531%0.312SS..G310 helixtrans-64.7-23.2177.7-176.80000112.1R226 L230 Q231R226-V228 PolarHBondContact O-N 3.29Å; V228-L230 PolarHBondContact O-N 3.03Å; V228-L230 VanDerWaalsContact O-N 3.14Å; V228-Q231 WeakPolarHBondContact O-CB 2.99Å; V228-Q231 PolarHBondContact O-N 2.89Å
229G94.6Very high96.4Very high48 Ų4848 Ų4850%0.49529%0.294SS..G310 helixtrans-63.4-14.5175.900000115.1L227L227-G229 PolarHBondContact O-N 3.23Å
230L95.8Very high96.4Very high9 Ų946.6 Ų46.65%0.04728%0.279CS..G310 helixtrans-109.318.3173.4-63.5173.8000112V202 L227 V228 G232 V233 V235 A247 F255 W257 P276V202-L230 HydrophobicContact CG2-CD1 4.2Å; L227-L230 HydrophobicContact CD2-CD1 4.34Å; L227-L230 PolarHBondContact O-N 3.5Å; V228-L230 PolarHBondContact O-N 3.03Å; V228-L230 VanDerWaalsContact O-N 3.14Å; L230-G232 PolarHBondContact O-N 3.14Å; L230-V233 WeakPolarHBondContact O-CB 3.4Å; L230-V233 PolarHBondContact O-N 3.5Å; L230-V235 HydrophobicContact CD1-CG2 4Å; L230-A247 HydrophobicContact CD1-CB 4.13Å; L230-F255 HydrophobicContact CD2-CB 4.13Å; L230-F255 HydrophobicContact CD2-CD1 3.75Å; L230-F255 HydrophobicContact CD2-CD2 4.13Å; L230-F255 HydrophobicContact CD2-CE1 4.17Å; L230-F255 HydrophobicContact CD2-CG 3.74Å; L230-W257 HydrophobicContact CD1-CH2 4.16Å; L230-W257 HydrophobicContact CD1-CZ3 4.22Å; L230-P276 HydrophobicContact CD1-CG 4.26Å; L230-P276 HydrophobicContact CD2-CB 3.65Å; L230-P276 HydrophobicContact CD2-CG 4.11Å; L230-P276 HydrophobicContact CG-CB 3.97Å; L230-P276 HydrophobicContact CG-CG 3.84Å
231Q92.6Very high96.3Very high123 Ų12343.4 Ų43.458%0.57526%0.262SS*.THydrogen-bonded Turntrans-63133.2178.5-179.5173.2-8.200111.1V228 V233V228-Q231 WeakPolarHBondContact O-CB 2.99Å; V228-Q231 PolarHBondContact O-N 2.89Å; Q231-V233 VanDerWaalsContact C-N 3.26Å
232G89.1Confident96.3Very high86 Ų8645.9 Ų45.989%0.88727%0.27SS*.THydrogen-bonded Turntrans82.32.9-178.600000114L230L230-G232 PolarHBondContact O-N 3.14Å
233V93.3Very high96.3Very high43 Ų4343 Ų4326%0.26126%0.255SS..  trans-109.3133.7175179.50000108.9L230 Q231 T249 F255L230-V233 WeakPolarHBondContact O-CB 3.4Å; L230-V233 PolarHBondContact O-N 3.5Å; Q231-V233 VanDerWaalsContact C-N 3.26Å; V233-T249 HydrophobicContact CG1-CG2 3.12Å; V233-F255 HydrophobicContact CG1-CE2 4.29Å; V233-F255 HydrophobicContact CG2-CZ 4.49Å
234C95.4Very high96.3Very high49 Ų4941.1 Ų41.133%0.33124%0.242SC..  trans-92102.4176.1-179.50000109.5T249 D250C234-T249 CarbonylContact O-C 3.54Å; C234-T249 VanDerWaalsContact O-CA 3.22Å; C234-T249 WeakPolarHBondContact O-CA 3.5Å; C234-T249 WeakPolarHBondContact O-CB 3.49Å; C234-D250 HydrophobicContact CB-CB 4.36Å; C234-D250 VanDerWaalsContact CB-CG 3.49Å; C234-D250 WeakPolarHBondContact CB-OD1 3.36Å; C234-D250 WeakPolarHBondContact CB-OD2 3.35Å; C234-D250 PolarHBondContact O-N 2.84Å
235V98Very high96.4Very high4 Ų441 Ų412%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-80.1132.2178.4-178.80000109.6L196 G200 V202 L230 Q237 I238 A247L196-V235 HydrophobicContact CD1-CB 3.79Å; L196-V235 HydrophobicContact CD1-CG1 3.93Å; L196-V235 WeakPolarHBondContact CD1-O 3.4Å; L196-V235 HydrophobicContact CD2-CG1 4.41Å; G200-V235 WeakPolarHBondContact O-CB 3.02Å; G200-V235 PolarHBondContact O-N 3.3Å; V202-V235 HydrophobicContact CG2-CB 3.98Å; V202-V235 HydrophobicContact CG2-CG1 3.98Å; V202-V235 HydrophobicContact CG2-CG2 3.86Å; L230-V235 HydrophobicContact CD1-CG2 4Å; V235-Q237 WeakPolarHBondContact CG1-O 3.35Å; V235-I238 HydrophobicContact CG1-CG2 3.74Å; V235-A247 HydrophobicContact CG1-CB 3.91Å; V235-A247 HydrophobicContact CG2-CB 4.33Å
236Q96.6Very high96.4Very high112 Ų11239 Ų3952%0.52323%0.228SC..EExtended strand (participates in β ladder)trans-105.1-31.1176.6-72.8-170.6-17.300113L196 L248 D250L196-Q236 WeakPolarHBondContact CD2-O 3.38Å; Q236-L248 PolarHBondContact N-O 2.93Å; Q236-D250 HydrophobicContact CG-CB 3.77Å
237Q97.7Very high96.5Very high46 Ų4635.2 Ų35.222%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-139.3138.3-179.4-162.9-168-8.400109.9V235 A247 L248 V289V235-Q237 WeakPolarHBondContact CG1-O 3.35Å; Q237-A247 CarbonylContact O-C 3.53Å; Q237-A247 WeakPolarHBondContact O-CA 3.29Å; Q237-L248 HydrophobicContact CB-CB 4.03Å; Q237-L248 PolarHBondContact N-O 3.26Å; Q237-L248 PolarHBondContact O-N 3.17Å; Q237-V289 HydrophobicContact CB-CG2 4.35Å; Q237-V289 HydrophobicContact CG-CG2 4.16Å; Q237-V289 PolarHBondContact NE2-O 3.31Å
238I98.1Very high96.5Very high4 Ų435.4 Ų35.42%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-123.1142.5168.847.8164.5000108.8V187 L194 L196 V202 V235 L246 A247V187-I238 HydrophobicContact CB-CD1 4.26Å; V187-I238 HydrophobicContact CG2-CB 4.42Å; V187-I238 HydrophobicContact CG2-CD1 3.8Å; V187-I238 HydrophobicContact CG2-CG1 3.71Å; V187-I238 WeakPolarHBondContact CG2-O 3.28Å; L194-I238 HydrophobicContact CB-CD1 3.87Å; L196-I238 HydrophobicContact CB-CD1 3.76Å; L196-I238 HydrophobicContact CB-CG1 3.94Å; V202-I238 HydrophobicContact CG1-CG2 4.26Å; V202-I238 HydrophobicContact CG2-CG2 3.85Å; V235-I238 HydrophobicContact CG1-CG2 3.74Å; I238-L246 WeakPolarHBondContact CA-O 2.97Å; I238-A247 HydrophobicContact CG2-CB 4.27Å
239V98.3Very high96.6Very high9 Ų931.1 Ų31.16%0.05519%0.188CC..EExtended strand (participates in β ladder)trans-141.2152.5171.9-65.20000109.6S245 L246 V289 A291 W343V239-S245 WeakPolarHBondContact O-CA 3.33Å; V239-L246 HydrophobicContact CG2-CB 3.71Å; V239-L246 HydrophobicContact CG2-CD1 3.98Å; V239-L246 HydrophobicContact CG2-CG 4.11Å; V239-L246 PolarHBondContact N-O 3.47Å; V239-L246 PolarHBondContact O-N 2.91Å; V239-V289 HydrophobicContact CG1-CG2 4.33Å; V239-V289 HydrophobicContact CG2-CB 4.22Å; V239-V289 HydrophobicContact CG2-CG2 3.84Å; V239-A291 HydrophobicContact CB-CB 4.08Å; V239-A291 HydrophobicContact CG2-CB 3.74Å; V239-W343 HydrophobicContact CG1-CE3 4.44Å; V239-W343 HydrophobicContact CG1-CZ3 4.2Å
240S97.9Very high96.5Very high5 Ų531.7 Ų31.74%0.03518%0.18CC..EExtended strand (participates in β ladder)trans-127.7132.8177.6-69.70000111L194 H244 S245 A291 C292 H293L194-S240 WeakPolarHBondContact CD1-OG 3.32Å; S240-H244 CarbonylContact C-O 3.55Å; S240-H244 WeakPolarHBondContact CA-O 3.42Å; S240-S245 PolarHBondContact OG-OG 3.33Å; S240-A291 CarbonylContact O-C 3.2Å; S240-C292 CarbonylContact O-C 3.59Å; S240-H293 PolarHBondContact O-N 3.34Å
241G97.4Very high96.4Very high0 Ų037.5 Ų37.50%021%0.207CC..  trans-88.1-159.5163.100000111.8A243 H244 C292G241-A243 PolarHBondContact O-N 3Å; G241-H244 VanDerWaalsContact CA-CE1 3.46Å; G241-H244 WeakPolarHBondContact CA-CE1 3.49Å; G241-H244 PolarHBondContact N-O 2.97Å; G241-C292 VanDerWaalsContact CA-O 3.26Å; G241-C292 WeakPolarHBondContact CA-O 3.19Å
242Y96.9Very high96.4Very high102 Ų10231.8 Ų31.840%0.418%0.181SC..SBendtrans-52.4-50.4-177.5-173.4-84.6000114.3Q190 H293 T295 H296Q190-Y242 WeakPolarHBondContact CB-O 3.24Å; Q190-Y242 HydrophobicContact CG-CD1 4.25Å; Q190-Y242 HydrophobicContact CG-CD2 3.43Å; Q190-Y242 VanDerWaalsContact CG-CD2 3.43Å; Q190-Y242 HydrophobicContact CG-CE1 4.29Å; Q190-Y242 HydrophobicContact CG-CE2 3.48Å; Q190-Y242 VanDerWaalsContact CG-CE2 3.48Å; Q190-Y242 HydrophobicContact CG-CG 3.83Å; Q190-Y242 WeakPolarHBondContact CG-O 3.16Å; Q190-Y242 PolarHBondContact N-O 3.34Å; Y242-H293 VanDerWaalsContact CA-O 3.27Å; Y242-H293 WeakPolarHBondContact CA-O 3.31Å; Y242-T295 WeakPolarHBondContact CB-O 3.47Å; Y242-T295 PolarHBondContact N-O 2.77Å; Y242-H296 VanDerWaalsContact CB-CE1 3.48Å; Y242-H296 WeakPolarHBondContact CB-CE1 3.44Å; Y242-H296 AromaticContact CD1-CE1 3.42Å; Y242-H296 VanDerWaalsContact CD1-CE1 3.42Å; Y242-H296 WeakPolarHBondContact CD1-CE1 3.41Å; Y242-H296 AromaticContact CG-CE1 3.43Å; Y242-H296 VanDerWaalsContact CG-CE1 3.43Å; Y242-H296 AromaticContact CG-NE2 3.93Å
243A98Very high96.7Very high5 Ų530.1 Ų30.14%0.04115%0.152CC..SBendtrans-148.230.517900000111.6Q212 G241 A259Q212-A243 WeakPolarHBondContact CB-O 3.4Å; G241-A243 PolarHBondContact O-N 3Å; A243-A259 HydrophobicContact CB-CB 3.8Å; A243-A259 VanDerWaalsContact O-CB 3.26Å; A243-A259 WeakPolarHBondContact O-CB 3.39Å; A243-A259 PolarHBondContact O-N 3.24Å
244H98.6Very high96.9Very high1 Ų128.2 Ų28.21%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-141.2162178.175-81.9000109.3S240 G241 W257 Q264 L265 S298S240-H244 CarbonylContact C-O 3.55Å; S240-H244 WeakPolarHBondContact CA-O 3.42Å; G241-H244 VanDerWaalsContact CA-CE1 3.46Å; G241-H244 WeakPolarHBondContact CA-CE1 3.49Å; G241-H244 PolarHBondContact N-O 2.97Å; H244-W257 WeakPolarHBondContact CA-O 3.3Å; H244-W257 WeakPolarHBondContact CB-O 3.48Å; H244-Q264 HydrophobicContact CB-CG 4.04Å; H244-L265 HydrophobicContact CB-CD2 3.8Å; H244-S298 PolarHBondContact NE2-OG 2.96Å
245S98.6Very high97.1Very high1 Ų126.9 Ų26.91%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-139.9148.7-176.3-56.50000110.1Q212 V239 S240 A256 W257Q212-S245 PolarHBondContact O-OG 3.14Å; V239-S245 WeakPolarHBondContact O-CA 3.33Å; S240-S245 PolarHBondContact OG-OG 3.33Å; S245-A256 WeakPolarHBondContact O-CA 3.27Å; S245-W257 VanDerWaalsContact CB-CE2 3.44Å; S245-W257 VanDerWaalsContact CB-CZ2 3.44Å; S245-W257 PolarHBondContact N-O 3.16Å; S245-W257 PolarHBondContact O-N 3.15Å; S245-W257 VanDerWaalsContact O-N 3.08Å
246L98.6Very high97.1Very high0 Ų026.8 Ų26.80%013%0.128CC..EExtended strand (participates in β ladder)trans-122.7145.4174.7-48.2174.1000109.1I238 V239 L254 F255 A256 V289 A291 W310I238-L246 WeakPolarHBondContact CA-O 2.97Å; V239-L246 HydrophobicContact CG2-CB 3.71Å; V239-L246 HydrophobicContact CG2-CD1 3.98Å; V239-L246 HydrophobicContact CG2-CG 4.11Å; V239-L246 PolarHBondContact N-O 3.47Å; V239-L246 PolarHBondContact O-N 2.91Å; L246-L254 HydrophobicContact CB-CD1 4.29Å; L246-F255 CarbonylContact C-O 3.12Å; L246-F255 VanDerWaalsContact CA-O 3.24Å; L246-F255 WeakPolarHBondContact CA-O 3.3Å; L246-A256 HydrophobicContact CD2-CB 3.42Å; L246-A256 VanDerWaalsContact CD2-CB 3.42Å; L246-V289 HydrophobicContact CD1-CB 4.46Å; L246-A291 HydrophobicContact CD1-CB 4.32Å; L246-W310 HydrophobicContact CD1-CZ2 4.22Å; L246-W310 HydrophobicContact CD2-CZ2 4.45Å
247A98.4Very high97.2Very high0 Ų021.4 Ų21.40%010%0.103CC..EExtended strand (participates in β ladder)trans-127137.416900000110.4L230 V235 Q237 I238 F255 W257L230-A247 HydrophobicContact CD1-CB 4.13Å; V235-A247 HydrophobicContact CG1-CB 3.91Å; V235-A247 HydrophobicContact CG2-CB 4.33Å; Q237-A247 CarbonylContact O-C 3.53Å; Q237-A247 WeakPolarHBondContact O-CA 3.29Å; I238-A247 HydrophobicContact CG2-CB 4.27Å; A247-F255 HydrophobicContact CB-CB 4.38Å; A247-F255 PolarHBondContact N-O 3.27Å; A247-F255 PolarHBondContact O-N 2.99Å; A247-W257 HydrophobicContact CB-CH2 3.76Å; A247-W257 HydrophobicContact CB-CZ3 3.71Å
248L97.8Very high97.2Very high6 Ų619.2 Ų19.23%0.0319%0.093CC..EExtended strand (participates in β ladder)trans-111.5131.8172.3177.960.4000109.2Q236 Q237 L253 V286 V289Q236-L248 PolarHBondContact N-O 2.93Å; Q237-L248 HydrophobicContact CB-CB 4.03Å; Q237-L248 PolarHBondContact N-O 3.26Å; Q237-L248 PolarHBondContact O-N 3.17Å; L248-L253 WeakPolarHBondContact CA-O 3.41Å; L248-V286 HydrophobicContact CD1-CB 3.63Å; L248-V286 HydrophobicContact CD1-CG1 3.65Å; L248-V286 HydrophobicContact CD2-CG1 4.37Å; L248-V289 HydrophobicContact CB-CG1 4.02Å; L248-V289 HydrophobicContact CB-CG2 3.94Å; L248-V289 HydrophobicContact CD2-CG1 4.49Å
249T96.6Very high97.3Very high1 Ų119.3 Ų19.31%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-94.9165.6-179.376.60000112.5V233 C234 E251 G252 L253 F255V233-T249 HydrophobicContact CG1-CG2 3.12Å; C234-T249 CarbonylContact O-C 3.54Å; C234-T249 VanDerWaalsContact O-CA 3.22Å; C234-T249 WeakPolarHBondContact O-CA 3.5Å; C234-T249 WeakPolarHBondContact O-CB 3.49Å; T249-E251 PolarHBondContact O-N 3.01Å; T249-E251 PolarHBondContact OG1-N 3.33Å; T249-G252 WeakPolarHBondContact O-CA 3.47Å; T249-G252 PolarHBondContact O-N 2.9Å; T249-G252 PolarHBondContact OG1-N 2.92Å; T249-L253 HydrophobicContact CG2-CB 3.98Å; T249-L253 WeakPolarHBondContact CG2-O 3.39Å; T249-L253 PolarHBondContact N-O 2.83Å; T249-L253 WeakPolarHBondContact OG1-CB 3.38Å; T249-L253 PolarHBondContact OG1-N 3.48Å; T249-F255 HydrophobicContact CG2-CD2 3.89Å; T249-F255 HydrophobicContact CG2-CE2 3.66Å
250D93.8Very high97.3Very high59 Ų5918.9 Ų18.932%0.3169%0.091SC..THydrogen-bonded Turntrans-64.6-19.7170.167.2-23.4000114.5C234 Q236 G252 R285C234-D250 HydrophobicContact CB-CB 4.36Å; C234-D250 VanDerWaalsContact CB-CG 3.49Å; C234-D250 WeakPolarHBondContact CB-OD1 3.36Å; C234-D250 WeakPolarHBondContact CB-OD2 3.35Å; C234-D250 PolarHBondContact O-N 2.84Å; Q236-D250 HydrophobicContact CG-CB 3.77Å; D250-G252 VanDerWaalsContact C-N 3.28Å; D250-R285 PolarHBondContact O-NH1 2.84Å; D250-R285 PolarHBondContact O-NH2 3.24Å
251E92.4Very high97.3Very high131 Ų13122.6 Ų22.661%0.61211%0.114SC*.THydrogen-bonded Turntrans-83.4-6.4168.9-65.9-177172.700112.6T249 L253 R285T249-E251 PolarHBondContact O-N 3.01Å; T249-E251 PolarHBondContact OG1-N 3.33Å; E251-L253 HydrophobicContact CB-CD1 4.45Å; E251-L253 HydrophobicContact CB-CG 4.07Å; E251-R285 PolarHBondContact O-NH1 3.01Å; E251-R285 VanDerWaalsContact O-NH1 3.13Å
252G93.8Very high97.3Very high4 Ų426.6 Ų26.64%0.04113%0.13CC..  trans73.928.9-176.700000113.6T249 D250 V286T249-G252 WeakPolarHBondContact O-CA 3.47Å; T249-G252 PolarHBondContact O-N 2.9Å; T249-G252 PolarHBondContact OG1-N 2.92Å; D250-G252 VanDerWaalsContact C-N 3.28Å; G252-V286 WeakPolarHBondContact CA-O 2.99Å; G252-V286 PolarHBondContact O-N 2.71Å
253L95.2Very high97.3Very high51 Ų5121.7 Ų21.727%0.26711%0.111SC..  trans-84.6141171.2-51.5-179.4000109.5L248 T249 E251 F255L248-L253 WeakPolarHBondContact CA-O 3.41Å; T249-L253 HydrophobicContact CG2-CB 3.98Å; T249-L253 WeakPolarHBondContact CG2-O 3.39Å; T249-L253 PolarHBondContact N-O 2.83Å; T249-L253 WeakPolarHBondContact OG1-CB 3.38Å; T249-L253 PolarHBondContact OG1-N 3.48Å; E251-L253 HydrophobicContact CB-CD1 4.45Å; E251-L253 HydrophobicContact CB-CG 4.07Å; L253-F255 HydrophobicContact CB-CD2 4.46Å; L253-F255 HydrophobicContact CB-CE2 3.82Å; L253-F255 HydrophobicContact CD1-CE2 4.43Å
254L97.3Very high97.3Very high2 Ų221.5 Ų21.51%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-105.7126.9178.7177.255.5000110.4L246 Q278 I279 T281 V286 V289 A300 W310L246-L254 HydrophobicContact CB-CD1 4.29Å; L254-Q278 CarbonylContact O-C 3.4Å; L254-Q278 VanDerWaalsContact O-CA 3.31Å; L254-Q278 WeakPolarHBondContact O-CA 3.49Å; L254-I279 HydrophobicContact CD2-CB 4.27Å; L254-I279 HydrophobicContact CD2-CD1 4.2Å; L254-I279 HydrophobicContact CG-CB 4.23Å; L254-I279 HydrophobicContact CG-CD1 4.25Å; L254-I279 PolarHBondContact O-N 3.01Å; L254-T281 HydrophobicContact CD2-CG2 4.39Å; L254-V286 HydrophobicContact CB-CG2 4.25Å; L254-V289 HydrophobicContact CD1-CG1 3.42Å; L254-V289 VanDerWaalsContact CD1-CG1 3.42Å; L254-A300 HydrophobicContact CD2-CB 4.24Å; L254-W310 HydrophobicContact CD2-CH2 3.77Å; L254-W310 HydrophobicContact CD2-CZ2 4.06Å
255F98.3Very high97.3Very high22 Ų2221.5 Ų21.510%0.09611%0.109CC..EExtended strand (participates in β ladder)trans-117.2146.2172.7-68.1-99.4000110.8L230 V233 L246 A247 T249 L253 W257 P276 L277 Q278L230-F255 HydrophobicContact CD2-CB 4.13Å; L230-F255 HydrophobicContact CD2-CD1 3.75Å; L230-F255 HydrophobicContact CD2-CD2 4.13Å; L230-F255 HydrophobicContact CD2-CE1 4.17Å; L230-F255 HydrophobicContact CD2-CG 3.74Å; V233-F255 HydrophobicContact CG1-CE2 4.29Å; V233-F255 HydrophobicContact CG2-CZ 4.49Å; L246-F255 CarbonylContact C-O 3.12Å; L246-F255 VanDerWaalsContact CA-O 3.24Å; L246-F255 WeakPolarHBondContact CA-O 3.3Å; A247-F255 HydrophobicContact CB-CB 4.38Å; A247-F255 PolarHBondContact N-O 3.27Å; A247-F255 PolarHBondContact O-N 2.99Å; T249-F255 HydrophobicContact CG2-CD2 3.89Å; T249-F255 HydrophobicContact CG2-CE2 3.66Å; L253-F255 HydrophobicContact CB-CD2 4.46Å; L253-F255 HydrophobicContact CB-CE2 3.82Å; L253-F255 HydrophobicContact CD1-CE2 4.43Å; F255-W257 HydrophobicContact CB-CZ3 4.26Å; F255-P276 HydrophobicContact CB-CB 4.35Å; F255-P276 HydrophobicContact CD1-CB 4.19Å; F255-L277 CarbonylContact C-O 3.56Å; F255-L277 VanDerWaalsContact CA-O 3.31Å; F255-L277 WeakPolarHBondContact CA-O 3.39Å; F255-Q278 HydrophobicContact CD1-CB 4.04Å; F255-Q278 HydrophobicContact CE1-CB 3.76Å; F255-Q278 HydrophobicContact CE1-CG 4.38Å; F255-Q278 HydrophobicContact CZ-CB 4.15Å; F255-Q278 HydrophobicContact CZ-CG 4.28Å
256A98.4Very high97.2Very high1 Ų121.6 Ų21.61%0.00811%0.11CC..EExtended strand (participates in β ladder)trans-141.1148.9174.800000112.9S245 L246 L265 L277 I279S245-A256 WeakPolarHBondContact O-CA 3.27Å; L246-A256 HydrophobicContact CD2-CB 3.42Å; L246-A256 VanDerWaalsContact CD2-CB 3.42Å; A256-L265 HydrophobicContact CB-CB 4.3Å; A256-L265 HydrophobicContact CB-CD2 4.06Å; A256-L277 PolarHBondContact N-O 2.65Å; A256-L277 PolarHBondContact O-N 2.87Å; A256-I279 HydrophobicContact CB-CD1 3.38Å; A256-I279 HydrophobicContact CB-CG1 3.9Å
257W98.8Very high97.1Very high0 Ų023.1 Ų23.10%012%0.119CC..EExtended strand (participates in β ladder)trans-156.5169.8175.961.993.1000112.3Q212 L227 L230 H244 S245 A247 F255 L265 P276Q212-W257 PolarHBondContact O-NE1 2.84Å; L227-W257 HydrophobicContact CD2-CH2 4.15Å; L227-W257 HydrophobicContact CD2-CZ2 3.55Å; L230-W257 HydrophobicContact CD1-CH2 4.16Å; L230-W257 HydrophobicContact CD1-CZ3 4.22Å; H244-W257 WeakPolarHBondContact CA-O 3.3Å; H244-W257 WeakPolarHBondContact CB-O 3.48Å; S245-W257 VanDerWaalsContact CB-CE2 3.44Å; S245-W257 VanDerWaalsContact CB-CZ2 3.44Å; S245-W257 PolarHBondContact N-O 3.16Å; S245-W257 PolarHBondContact O-N 3.15Å; S245-W257 VanDerWaalsContact O-N 3.08Å; A247-W257 HydrophobicContact CB-CH2 3.76Å; A247-W257 HydrophobicContact CB-CZ3 3.71Å; F255-W257 HydrophobicContact CB-CZ3 4.26Å; W257-L265 VanDerWaalsContact O-CD2 3.32Å; W257-L265 WeakPolarHBondContact O-CD2 3.2Å; W257-P276 HydrophobicContact CD2-CB 4.33Å; W257-P276 HydrophobicContact CD2-CG 3.94Å; W257-P276 HydrophobicContact CE3-CB 3.72Å; W257-P276 HydrophobicContact CE3-CG 3.75Å; W257-P276 HydrophobicContact CG-CG 4.37Å; W257-P276 HydrophobicContact CZ3-CB 4.24Å; W257-P276 HydrophobicContact CZ3-CG 4.25Å
258G98.7Very high97Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans102.5-147.118000000113.9N210 N272 Q273N210-G258 CarbonylContact O-C 3.59Å; N210-G258 WeakPolarHBondContact O-CA 3.48Å; G258-N272 CarbonylContact O-C 3.45Å; G258-N272 VanDerWaalsContact O-CA 3.25Å; G258-N272 WeakPolarHBondContact O-CA 3.44Å; G258-N272 WeakPolarHBondContact O-CB 3.46Å; G258-Q273 PolarHBondContact N-O 2.84Å; G258-Q273 PolarHBondContact O-N 3.07Å
259A98.6Very high96.9Very high5 Ų527.6 Ų27.64%0.04115%0.153CC..  trans-65.8141.3-178.900000111.7N210 A243 Q264 N272N210-A259 HydrophobicContact CB-CB 3.83Å; A243-A259 HydrophobicContact CB-CB 3.8Å; A243-A259 VanDerWaalsContact O-CB 3.26Å; A243-A259 WeakPolarHBondContact O-CB 3.39Å; A243-A259 PolarHBondContact O-N 3.24Å; A259-Q264 WeakPolarHBondContact O-CG 3.16Å; A259-Q264 PolarHBondContact O-NE2 3.16Å; A259-Q264 VanDerWaalsContact O-NE2 3.07Å; A259-N272 WeakPolarHBondContact CA-OD1 3.32Å
260N98.4Very high97Very high0 Ų033.1 Ų33.10%018%0.176CC..  trans-136.916.8-178.1-159.723.8000114.6Y262 G263 Q264 L265 T267 N269 K270 S271 N272N260-Y262 PolarHBondContact O-N 3.21Å; N260-G263 PolarHBondContact O-N 3.45Å; N260-G263 WeakPolarHBondContact OD1-CA 3.42Å; N260-Q264 PolarHBondContact OD1-N 2.82Å; N260-Q264 VanDerWaalsContact OD1-N 3.16Å; N260-L265 HydrophobicContact CB-CB 4.36Å; N260-L265 HydrophobicContact CB-CD1 3.64Å; N260-L265 HydrophobicContact CB-CG 3.69Å; N260-L265 WeakPolarHBondContact OD1-CB 3.44Å; N260-L265 WeakPolarHBondContact OD1-CG 3.36Å; N260-L265 PolarHBondContact OD1-N 2.77Å; N260-T267 PolarHBondContact ND2-OG1 3.1Å; N260-T267 VanDerWaalsContact ND2-OG1 3.11Å; N260-N269 PolarHBondContact ND2-O 3.02Å; N260-K270 CarbonylContact C-O 3.3Å; N260-K270 CarbonylContact O-C 3.59Å; N260-K270 VanDerWaalsContact O-CA 3.22Å; N260-K270 WeakPolarHBondContact O-CA 3.19Å; N260-S271 WeakPolarHBondContact CB-O 3.29Å; N260-S271 PolarHBondContact ND2-O 3.07Å; N260-N272 PolarHBondContact N-OD1 2.81Å
261T98Very high97.2Very high83 Ų8333.7 Ų33.751%0.50919%0.185SC..THydrogen-bonded Turntrans-56-27.4-174.8-47.20000114K270T261-K270 WeakPolarHBondContact O-CD 3.28Å
262Y97.8Very high97.5Very high84 Ų8430.2 Ų30.233%0.32917%0.171SC..THydrogen-bonded Turntrans-104.73.2177.7-58.9-77000113.5N260 H296 G311 Q312 S317N260-Y262 PolarHBondContact O-N 3.21Å; Y262-H296 HydrophobicContact CD2-CB 3.8Å; Y262-H296 AromaticContact CD2-CD2 3.86Å; Y262-H296 AromaticContact CD2-CG 3.59Å; Y262-H296 AromaticContact CD2-ND1 3.89Å; Y262-H296 HydrophobicContact CE2-CB 4.49Å; Y262-H296 AromaticContact CE2-CD2 3.67Å; Y262-H296 AromaticContact CE2-CG 3.86Å; Y262-H296 AromaticContact CE2-NE2 3.78Å; Y262-H296 HydrophobicContact CG-CB 4.35Å; Y262-G311 CarbonylContact O-C 3.45Å; Y262-Q312 HydrophobicContact CD1-CB 4.16Å; Y262-Q312 HydrophobicContact CD1-CG 4.01Å; Y262-Q312 HydrophobicContact CE1-CG 4.46Å; Y262-Q312 HydrophobicContact CG-CB 3.94Å; Y262-Q312 HydrophobicContact CG-CG 4.3Å; Y262-S317 WeakPolarHBondContact CA-OG 3.4Å; Y262-S317 PolarHBondContact O-OG 2.58Å
263G97.7Very high97.7Very high0 Ų032.5 Ų32.50%018%0.18CC..SBendtrans84.414.2-175.300000114.1N260 L265 G266N260-G263 PolarHBondContact O-N 3.45Å; N260-G263 WeakPolarHBondContact OD1-CA 3.42Å; G263-L265 PolarHBondContact O-N 2.94Å; G263-G266 PolarHBondContact O-N 3.1Å
264Q97.8Very high97.9Very high1 Ų132.7 Ų32.71%0.00518%0.181CC..THydrogen-bonded Turntrans-63.8-8.8-175.462.4-100.351.400114.9H244 A259 N260 H296 S298 W310 G311H244-Q264 HydrophobicContact CB-CG 4.04Å; A259-Q264 WeakPolarHBondContact O-CG 3.16Å; A259-Q264 PolarHBondContact O-NE2 3.16Å; A259-Q264 VanDerWaalsContact O-NE2 3.07Å; N260-Q264 PolarHBondContact OD1-N 2.82Å; N260-Q264 VanDerWaalsContact OD1-N 3.16Å; Q264-H296 VanDerWaalsContact CB-O 3.25Å; Q264-H296 WeakPolarHBondContact CB-O 3.4Å; Q264-S298 PolarHBondContact O-OG 2.53Å; Q264-W310 VanDerWaalsContact C-CD1 3.46Å; Q264-W310 VanDerWaalsContact O-CD1 3.26Å; Q264-W310 PolarHBondContact O-NE1 2.92Å; Q264-G311 VanDerWaalsContact CA-CA 3.47Å
265L98.3Very high97.9Very high0 Ų035.3 Ų35.30%020%0.2CC..THydrogen-bonded Turntrans-92.8-4.2170.8-52.1-173.4000113.5H244 A256 W257 N260 G263 T267 Q273 I279H244-L265 HydrophobicContact CB-CD2 3.8Å; A256-L265 HydrophobicContact CB-CB 4.3Å; A256-L265 HydrophobicContact CB-CD2 4.06Å; W257-L265 VanDerWaalsContact O-CD2 3.32Å; W257-L265 WeakPolarHBondContact O-CD2 3.2Å; N260-L265 HydrophobicContact CB-CB 4.36Å; N260-L265 HydrophobicContact CB-CD1 3.64Å; N260-L265 HydrophobicContact CB-CG 3.69Å; N260-L265 WeakPolarHBondContact OD1-CB 3.44Å; N260-L265 WeakPolarHBondContact OD1-CG 3.36Å; N260-L265 PolarHBondContact OD1-N 2.77Å; G263-L265 PolarHBondContact O-N 2.94Å; L265-T267 HydrophobicContact CB-CG2 3.82Å; L265-T267 WeakPolarHBondContact O-CG2 3.49Å; L265-T267 PolarHBondContact O-N 3.43Å; L265-T267 VanDerWaalsContact O-N 3.11Å; L265-Q273 HydrophobicContact CD1-CB 3.68Å; L265-Q273 HydrophobicContact CD1-CG 3.49Å; L265-Q273 VanDerWaalsContact CD1-CG 3.49Å; L265-I279 WeakPolarHBondContact O-CD1 3.48Å; L265-I279 WeakPolarHBondContact O-CG1 3.24Å
266G97Very high97.9Very high3 Ų335.1 Ų35.13%0.03120%0.201CC..  trans63.622.8174.200000114.9G263 W310 V319 P321G263-G266 PolarHBondContact O-N 3.1Å; G266-W310 VanDerWaalsContact CA-CD1 3.48Å; G266-V319 CarbonylContact C-O 3.4Å; G266-V319 VanDerWaalsContact CA-O 3.28Å; G266-V319 WeakPolarHBondContact CA-O 3.34Å; G266-P321 WeakPolarHBondContact O-CD 3.19Å
267T96.4Very high97.8Very high32 Ų3238.6 Ų38.620%0.19622%0.219CC..SBendtrans-92.26.3-171.7580000114.5N260 L265 N269 L277 V319N260-T267 PolarHBondContact ND2-OG1 3.1Å; N260-T267 VanDerWaalsContact ND2-OG1 3.11Å; L265-T267 HydrophobicContact CB-CG2 3.82Å; L265-T267 WeakPolarHBondContact O-CG2 3.49Å; L265-T267 PolarHBondContact O-N 3.43Å; L265-T267 VanDerWaalsContact O-N 3.11Å; T267-N269 PolarHBondContact O-N 2.93Å; T267-N269 PolarHBondContact O-ND2 2.86Å; T267-N269 PolarHBondContact OG1-ND2 2.88Å; T267-N269 PolarHBondContact OG1-OD1 2.83Å; T267-L277 HydrophobicContact CG2-CD2 3.68Å; T267-V319 PolarHBondContact N-O 2.86Å
268G96.3Very high97.7Very high39 Ų3942.8 Ų42.840%0.40224%0.239SC..SBendtrans75.27.1-175.400000114.6V319G268-V319 WeakPolarHBondContact CA-O 3.39Å; G268-V319 PolarHBondContact N-O 2.87Å
269N96.4Very high97.4Very high62 Ų6243.3 Ų43.333%0.33224%0.241SC..SBendtrans-144.5-175.9177.565.470000110.9N260 T267 S271N260-N269 PolarHBondContact ND2-O 3.02Å; T267-N269 PolarHBondContact O-N 2.93Å; T267-N269 PolarHBondContact O-ND2 2.86Å; T267-N269 PolarHBondContact OG1-ND2 2.88Å; T267-N269 PolarHBondContact OG1-OD1 2.83Å; N269-S271 WeakPolarHBondContact OD1-CB 3.37Å; N269-S271 PolarHBondContact OD1-N 2.78Å
270K97.8Very high96.4Very high116 Ų11649.7 Ų49.750%0.50427%0.274SS..  trans-115.215.8-178.6-63.7-176.6173.7-162.80113.9N260 T261 S317 V319N260-K270 CarbonylContact C-O 3.3Å; N260-K270 CarbonylContact O-C 3.59Å; N260-K270 VanDerWaalsContact O-CA 3.22Å; N260-K270 WeakPolarHBondContact O-CA 3.19Å; T261-K270 WeakPolarHBondContact O-CD 3.28Å; K270-S317 WeakPolarHBondContact CE-OG 3.07Å; K270-S317 PolarHBondContact NZ-OG 2.82Å; K270-V319 HydrophobicContact CG-CG1 4.01Å
271S98.1Very high94.9Very high72 Ų7250.1 Ų50.150%0.50328%0.276SS..  trans-86131.2-177.8-59.90000110.6N260 N269N260-S271 WeakPolarHBondContact CB-O 3.29Å; N260-S271 PolarHBondContact ND2-O 3.07Å; N269-S271 WeakPolarHBondContact OD1-CB 3.37Å; N269-S271 PolarHBondContact OD1-N 2.78Å
272N98.4Very high93.4Very high58 Ų5852.2 Ų52.231%0.3128%0.281SS..  trans-58.1148173.6-65.6-5000110.4N210 G258 A259 N260N210-N272 PolarHBondContact OD1-ND2 3.07Å; G258-N272 CarbonylContact O-C 3.45Å; G258-N272 VanDerWaalsContact O-CA 3.25Å; G258-N272 WeakPolarHBondContact O-CA 3.44Å; G258-N272 WeakPolarHBondContact O-CB 3.46Å; A259-N272 WeakPolarHBondContact CA-OD1 3.32Å; N260-N272 PolarHBondContact N-OD1 2.81Å
273Q98.3Very high92.1Very high51 Ų5158.7 Ų58.724%0.23831%0.31CS..EExtended strand (participates in β ladder)trans-116.8120.5176-63.1-59.6-36.200109.4G258 L265 S275 L277G258-Q273 PolarHBondContact N-O 2.84Å; G258-Q273 PolarHBondContact O-N 3.07Å; L265-Q273 HydrophobicContact CD1-CB 3.68Å; L265-Q273 HydrophobicContact CD1-CG 3.49Å; L265-Q273 VanDerWaalsContact CD1-CG 3.49Å; Q273-S275 VanDerWaalsContact C-N 3.32Å; Q273-L277 HydrophobicContact CG-CD2 4.49Å
274L98.3Very high91.5Very high55 Ų5562.2 Ų62.229%0.28833%0.327SS..EExtended strand (participates in β ladder)trans-83.5-15-177.7-51.3-171.3000112.7G214 L215 G216 N218G214-L274 CarbonylContact C-O 3.56Å; G214-L274 WeakPolarHBondContact CA-O 3.5Å; L215-L274 PolarHBondContact N-O 3.1Å; L215-L274 VanDerWaalsContact N-O 3.16Å; G216-L274 WeakPolarHBondContact CA-O 3.17Å; G216-L274 PolarHBondContact N-O 2.91Å; N218-L274 WeakPolarHBondContact OD1-CD2 3.41Å
275S98Very high91.2Very high57 Ų5766.7 Ų66.740%0.39934%0.344SS..EExtended strand (participates in β ladder)trans-127.6151178-60.70000109.5G216 Q273 L277G216-S275 VanDerWaalsContact CA-OG 3.26Å; G216-S275 WeakPolarHBondContact CA-OG 3.35Å; Q273-S275 VanDerWaalsContact C-N 3.32Å; S275-L277 PolarHBondContact O-N 2.88Å
276P98.1Very high91.1Very high18 Ų1866.8 Ų66.812%0.11734%0.344CS..EExtended strand (participates in β ladder)trans-50.6124.5171.3-2836000111.5G214 L227 L230 F255 W257G214-P276 VanDerWaalsContact O-CD 3.28Å; G214-P276 WeakPolarHBondContact O-CD 3.39Å; L227-P276 HydrophobicContact CD2-CG 4.11Å; L230-P276 HydrophobicContact CD1-CG 4.26Å; L230-P276 HydrophobicContact CD2-CB 3.65Å; L230-P276 HydrophobicContact CD2-CG 4.11Å; L230-P276 HydrophobicContact CG-CB 3.97Å; L230-P276 HydrophobicContact CG-CG 3.84Å; F255-P276 HydrophobicContact CB-CB 4.35Å; F255-P276 HydrophobicContact CD1-CB 4.19Å; W257-P276 HydrophobicContact CD2-CB 4.33Å; W257-P276 HydrophobicContact CD2-CG 3.94Å; W257-P276 HydrophobicContact CE3-CB 3.72Å; W257-P276 HydrophobicContact CE3-CG 3.75Å; W257-P276 HydrophobicContact CG-CG 4.37Å; W257-P276 HydrophobicContact CZ3-CB 4.24Å; W257-P276 HydrophobicContact CZ3-CG 4.25Å
277L97.1Very high91Very high75 Ų7569.8 Ų69.839%0.39336%0.362SS..EExtended strand (participates in β ladder)trans-116.9131.2174-177.169.8000108.8F255 A256 T267 Q273 S275 I279F255-L277 CarbonylContact C-O 3.56Å; F255-L277 VanDerWaalsContact CA-O 3.31Å; F255-L277 WeakPolarHBondContact CA-O 3.39Å; A256-L277 PolarHBondContact N-O 2.65Å; A256-L277 PolarHBondContact O-N 2.87Å; T267-L277 HydrophobicContact CG2-CD2 3.68Å; Q273-L277 HydrophobicContact CG-CD2 4.49Å; S275-L277 PolarHBondContact O-N 2.88Å; L277-I279 PolarHBondContact O-N 3.32Å
278Q95.6Very high90.9Very high88 Ų8869.8 Ų69.841%0.41136%0.36SS..EExtended strand (participates in β ladder)trans-68124.8174.7-170.2179.7-6.700110.3L254 F255L254-Q278 CarbonylContact O-C 3.4Å; L254-Q278 VanDerWaalsContact O-CA 3.31Å; L254-Q278 WeakPolarHBondContact O-CA 3.49Å; F255-Q278 HydrophobicContact CD1-CB 4.04Å; F255-Q278 HydrophobicContact CE1-CB 3.76Å; F255-Q278 HydrophobicContact CE1-CG 4.38Å; F255-Q278 HydrophobicContact CZ-CB 4.15Å; F255-Q278 HydrophobicContact CZ-CG 4.28Å
279I93.4Very high91Very high10 Ų1068 Ų685%0.05134%0.34CS..EExtended strand (participates in β ladder)trans-94.6135.4170.9-51.7173000108.2L254 A256 L265 L277 W310 P321L254-I279 HydrophobicContact CD2-CB 4.27Å; L254-I279 HydrophobicContact CD2-CD1 4.2Å; L254-I279 HydrophobicContact CG-CB 4.23Å; L254-I279 HydrophobicContact CG-CD1 4.25Å; L254-I279 PolarHBondContact O-N 3.01Å; A256-I279 HydrophobicContact CB-CD1 3.38Å; A256-I279 HydrophobicContact CB-CG1 3.9Å; L265-I279 WeakPolarHBondContact O-CD1 3.48Å; L265-I279 WeakPolarHBondContact O-CG1 3.24Å; L277-I279 PolarHBondContact O-N 3.32Å; I279-W310 HydrophobicContact CD1-CZ2 4.2Å; I279-P321 HydrophobicContact CG2-CG 3.86Å
280L76.9Confident91Very high139 Ų13965 Ų6573%0.72833%0.325SS*.  trans-94.6113.3175.2-64.3170000110.5
281T67.4Low91Very high9 Ų959.7 Ų59.76%0.05530%0.303CS..  trans-100.4105.6163.5460000108.4L254 K283 E284 V286 P321L254-T281 HydrophobicContact CD2-CG2 4.39Å; T281-K283 VanDerWaalsContact C-N 3.27Å; T281-K283 PolarHBondContact O-N 2.76Å; T281-E284 PolarHBondContact O-N 3.12Å; T281-V286 WeakPolarHBondContact OG1-CG2 3.41Å; T281-P321 HydrophobicContact CG2-CB 4.14Å; T281-P321 HydrophobicContact CG2-CG 4.21Å
282E65.9Low91Very high128 Ų12856.5 Ų56.560%0.59828%0.28SS*.THydrogen-bonded Turntrans30.442.9170.8-61.6-157.8145.300118.8E284 Y308E282-E284 PolarHBondContact O-N 2.72Å; E282-Y308 HydrophobicContact CG-CE1 4.24Å; E282-Y308 WeakPolarHBondContact CG-OH 3.23Å; E282-Y308 PolarHBondContact OE2-OH 2.93Å
283K70.6Confident90.8Very high219 Ų21954.5 Ų54.595%0.95227%0.269SS*.THydrogen-bonded Turntrans49.814.5-179-62.7-173.4177.6-178.80115.4T281T281-K283 VanDerWaalsContact C-N 3.27Å; T281-K283 PolarHBondContact O-N 2.76Å
284E84.8Confident90.6Very high75 Ų7553.3 Ų53.335%0.3527%0.266SS..SBendtrans-103.8149.7179.4-74.6-169.4167.500110.3T281 E282 V286 T302 S304 H306T281-E284 PolarHBondContact O-N 3.12Å; E282-E284 PolarHBondContact O-N 2.72Å; E284-V286 PolarHBondContact O-N 2.83Å; E284-T302 HydrophobicContact CB-CG2 4.19Å; E284-T302 PolarHBondContact OE2-OG1 2.96Å; E284-S304 WeakPolarHBondContact OE2-CB 3.43Å; E284-S304 PolarHBondContact OE2-OG 3.32Å; E284-H306 IonicContact OE2-ND1 3.43Å; E284-H306 PolarHBondContact OE2-ND1 2.76Å
285R92.4Very high90.4Very high95 Ų9550.7 Ų50.736%0.35825%0.253SS..PPolyproline II helixtrans-64.9124.3177.5-170.8-173.5166.993.8-1.8110D250 E251 T302 Q303D250-R285 PolarHBondContact O-NH1 2.84Å; D250-R285 PolarHBondContact O-NH2 3.24Å; E251-R285 PolarHBondContact O-NH1 3.01Å; E251-R285 VanDerWaalsContact O-NH1 3.13Å; R285-T302 CarbonylContact O-C 3.57Å; R285-T302 VanDerWaalsContact O-CA 3.28Å; R285-T302 WeakPolarHBondContact O-CA 3.46Å; R285-T302 WeakPolarHBondContact O-CB 3.49Å; R285-Q303 HydrophobicContact CB-CB 4.33Å; R285-Q303 PolarHBondContact O-N 3.05Å
286V95.3Very high90.4Very high1 Ų149.5 Ų49.51%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-77.8139.7169.2-178.60000109L248 G252 L254 T281 E284 E288 V289 A300L248-V286 HydrophobicContact CD1-CB 3.63Å; L248-V286 HydrophobicContact CD1-CG1 3.65Å; L248-V286 HydrophobicContact CD2-CG1 4.37Å; G252-V286 WeakPolarHBondContact CA-O 2.99Å; G252-V286 PolarHBondContact O-N 2.71Å; L254-V286 HydrophobicContact CB-CG2 4.25Å; T281-V286 WeakPolarHBondContact OG1-CG2 3.41Å; E284-V286 PolarHBondContact O-N 2.83Å; V286-E288 WeakPolarHBondContact CG1-O 3.36Å; V286-V289 HydrophobicContact CG1-CG1 3.96Å; V286-A300 HydrophobicContact CG1-CB 3.98Å
287V94.7Very high90.4Very high67 Ų6748.7 Ų48.741%0.40624%0.235SC..EExtended strand (participates in β ladder)trans-122.3-14.4-179.2-61.30000113.3K301 Q303V287-K301 HydrophobicContact CG2-CB 4.49Å; V287-K301 HydrophobicContact CG2-CG 4.32Å; V287-K301 WeakPolarHBondContact CG2-O 3.45Å; V287-K301 PolarHBondContact N-O 2.96Å; V287-Q303 HydrophobicContact CG1-CB 3.78Å; V287-Q303 HydrophobicContact CG1-CG 4.35Å
288E95.5Very high90.4Very high32 Ų3245.1 Ų45.115%0.1522%0.217CC..EExtended strand (participates in β ladder)trans-150.5140.5176.1-174.417980.600109.7V286 A300 K301 T329 W343 R344V286-E288 WeakPolarHBondContact CG1-O 3.36Å; E288-A300 CarbonylContact O-C 3.43Å; E288-A300 WeakPolarHBondContact O-CA 3.34Å; E288-K301 HydrophobicContact CB-CB 4.11Å; E288-K301 PolarHBondContact N-O 2.83Å; E288-K301 PolarHBondContact O-N 3.35Å; E288-T329 HydrophobicContact CG-CG2 4.39Å; E288-T329 WeakPolarHBondContact OE1-CB 3.36Å; E288-T329 WeakPolarHBondContact OE1-CG2 3.39Å; E288-T329 PolarHBondContact OE1-OG1 3.14Å; E288-W343 HydrophobicContact CG-CH2 4.32Å; E288-W343 HydrophobicContact CG-CZ2 4.44Å; E288-R344 IonicContact OE1-NH2 3.74Å; E288-R344 IonicContact OE2-CZ 2.82Å; E288-R344 VanDerWaalsContact OE2-CZ 3.25Å; E288-R344 IonicContact OE2-NH1 2.86Å; E288-R344 PolarHBondContact OE2-NH1 3.24Å; E288-R344 IonicContact OE2-NH2 3.43Å; E288-R344 PolarHBondContact OE2-NH2 2.88Å
289V97.6Very high90.5Very high0 Ų041 Ų410%020%0.197CC..EExtended strand (participates in β ladder)trans-125.1146.6170.1-65.30000110.3Q237 V239 L246 L248 L254 V286 A299 A300Q237-V289 HydrophobicContact CB-CG2 4.35Å; Q237-V289 HydrophobicContact CG-CG2 4.16Å; Q237-V289 PolarHBondContact NE2-O 3.31Å; V239-V289 HydrophobicContact CG1-CG2 4.33Å; V239-V289 HydrophobicContact CG2-CB 4.22Å; V239-V289 HydrophobicContact CG2-CG2 3.84Å; L246-V289 HydrophobicContact CD1-CB 4.46Å; L248-V289 HydrophobicContact CB-CG1 4.02Å; L248-V289 HydrophobicContact CB-CG2 3.94Å; L248-V289 HydrophobicContact CD2-CG1 4.49Å; L254-V289 HydrophobicContact CD1-CG1 3.42Å; L254-V289 VanDerWaalsContact CD1-CG1 3.42Å; V286-V289 HydrophobicContact CG1-CG1 3.96Å; V289-A299 WeakPolarHBondContact CA-O 3.36Å; V289-A300 HydrophobicContact CG1-CB 4.37Å
290A97.8Very high90.7Very high0 Ų040.5 Ų40.50%020%0.195CC..EExtended strand (participates in β ladder)trans-139.9131.5-176.900000111.3A299 T329 F333 W343A290-A299 HydrophobicContact CB-CB 4.28Å; A290-A299 PolarHBondContact N-O 3.37Å; A290-A299 PolarHBondContact O-N 3.18Å; A290-T329 HydrophobicContact CB-CG2 4.23Å; A290-F333 HydrophobicContact CB-CD2 4.49Å; A290-F333 HydrophobicContact CB-CE2 3.66Å; A290-F333 HydrophobicContact CB-CZ 4.36Å; A290-W343 HydrophobicContact CB-CD2 3.64Å; A290-W343 VanDerWaalsContact CB-CE2 3.42Å; A290-W343 HydrophobicContact CB-CE3 4.18Å; A290-W343 HydrophobicContact CB-CG 3.99Å; A290-W343 HydrophobicContact CB-CH2 4.21Å; A290-W343 HydrophobicContact CB-CZ2 3.71Å; A290-W343 HydrophobicContact CB-CZ3 4.45Å
291A97.8Very high91.6Very high5 Ų536.7 Ų36.74%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-152.3144.7172.700000108.5V239 S240 L246V239-A291 HydrophobicContact CB-CB 4.08Å; V239-A291 HydrophobicContact CG2-CB 3.74Å; S240-A291 CarbonylContact O-C 3.2Å; L246-A291 HydrophobicContact CD1-CB 4.32Å
292C96.3Very high92.9Very high4 Ų436.3 Ų36.33%0.02717%0.17CC..  trans-120.8132.4178.2-177.20000110.9Y81 S240 G241 S294 T295 F333 W343Y81-C292 PolarHBondContact OH-SG 3.24Å; S240-C292 CarbonylContact O-C 3.59Å; G241-C292 VanDerWaalsContact CA-O 3.26Å; G241-C292 WeakPolarHBondContact CA-O 3.19Å; C292-S294 PolarHBondContact O-N 3.3Å; C292-S294 PolarHBondContact SG-OG 3.35Å; C292-S294 VanDerWaalsContact SG-OG 3.35Å; C292-T295 HydrophobicContact CB-CG2 4.15Å; C292-T295 PolarHBondContact O-N 2.62Å; C292-T295 PolarHBondContact O-OG1 3.13Å; C292-F333 HydrophobicContact CB-CD1 4.23Å; C292-F333 HydrophobicContact CB-CE1 3.76Å; C292-W343 HydrophobicContact CB-CB 3.8Å
293H94.6Very high94.1Very high16 Ų1636.9 Ų36.97%0.07417%0.173CC..THydrogen-bonded Turntrans-54.9-17.6-176.174.7-82.3000114.5Y81 C188 Q190 S240 Y242Y81-H293 AromaticContact CD2-CE1 3.77Å; Y81-H293 AromaticContact CE2-CE1 3.49Å; Y81-H293 VanDerWaalsContact CE2-CE1 3.49Å; Y81-H293 WeakPolarHBondContact CE2-CE1 3.42Å; Y81-H293 PolarHBondContact O-CE1 2.83Å; Y81-H293 PolarHBondContact O-NE2 3.22Å; C188-H293 WeakPolarHBondContact O-CB 3.2Å; Q190-H293 VanDerWaalsContact CG-O 3.3Å; Q190-H293 WeakPolarHBondContact CG-O 3.49Å; Q190-H293 PolarHBondContact NE2-CD2 3.09Å; Q190-H293 PolarHBondContact NE2-O 3.2Å; S240-H293 PolarHBondContact O-N 3.34Å; Y242-H293 VanDerWaalsContact CA-O 3.27Å; Y242-H293 WeakPolarHBondContact CA-O 3.31Å
294S93.7Very high95Very high27 Ų2729.6 Ų29.619%0.18915%0.149CC..THydrogen-bonded Turntrans-98.73.4177.455.60000114C292 V341C292-S294 PolarHBondContact O-N 3.3Å; C292-S294 PolarHBondContact SG-OG 3.35Å; C292-S294 VanDerWaalsContact SG-OG 3.35Å; S294-V341 WeakPolarHBondContact OG-CG2 3.32Å
295T95.6Very high95.2Very high0 Ų027.5 Ų27.50%015%0.148CC..  trans-132.5160.4-172730000112.4Y242 C292 A337 V341Y242-T295 WeakPolarHBondContact CB-O 3.47Å; Y242-T295 PolarHBondContact N-O 2.77Å; C292-T295 HydrophobicContact CB-CG2 4.15Å; C292-T295 PolarHBondContact O-N 2.62Å; C292-T295 PolarHBondContact O-OG1 3.13Å; T295-A337 HydrophobicContact CG2-CB 4.21Å; T295-V341 HydrophobicContact CG2-CG2 3.98Å
296H97.4Very high95.3Very high32 Ų3226.5 Ų26.515%0.14815%0.147CC..SBendtrans-104.520.5171.3-56.3-77.5000112Y242 Y262 Q264 G311 Q312Y242-H296 VanDerWaalsContact CB-CE1 3.48Å; Y242-H296 WeakPolarHBondContact CB-CE1 3.44Å; Y242-H296 AromaticContact CD1-CE1 3.42Å; Y242-H296 VanDerWaalsContact CD1-CE1 3.42Å; Y242-H296 WeakPolarHBondContact CD1-CE1 3.41Å; Y242-H296 AromaticContact CG-CE1 3.43Å; Y242-H296 VanDerWaalsContact CG-CE1 3.43Å; Y242-H296 AromaticContact CG-NE2 3.93Å; Y262-H296 HydrophobicContact CD2-CB 3.8Å; Y262-H296 AromaticContact CD2-CD2 3.86Å; Y262-H296 AromaticContact CD2-CG 3.59Å; Y262-H296 AromaticContact CD2-ND1 3.89Å; Y262-H296 HydrophobicContact CE2-CB 4.49Å; Y262-H296 AromaticContact CE2-CD2 3.67Å; Y262-H296 AromaticContact CE2-CG 3.86Å; Y262-H296 AromaticContact CE2-NE2 3.78Å; Y262-H296 HydrophobicContact CG-CB 4.35Å; Q264-H296 VanDerWaalsContact CB-O 3.25Å; Q264-H296 WeakPolarHBondContact CB-O 3.4Å; H296-G311 WeakPolarHBondContact O-CA 3.32Å; H296-Q312 HydrophobicContact CB-CB 3.77Å; H296-Q312 PolarHBondContact CD2-OE1 3.05Å; H296-Q312 VanDerWaalsContact CD2-OE1 3.25Å; H296-Q312 PolarHBondContact O-N 2.65Å
297T97.9Very high95.3Very high1 Ų126.4 Ų26.41%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-97.4139.8-179.2-47.90000109.6Q312 V332T297-Q312 PolarHBondContact OG1-O 3Å; T297-V332 HydrophobicContact CG2-CG1 4.06Å
298S98.2Very high95.4Very high0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-125.9143.3175.4-59.80000109H244 Q264 M309 W310H244-S298 PolarHBondContact NE2-OG 2.96Å; Q264-S298 PolarHBondContact O-OG 2.53Å; S298-M309 WeakPolarHBondContact O-CA 3.36Å; S298-W310 PolarHBondContact N-O 3.18Å; S298-W310 PolarHBondContact O-N 2.98Å
299A97.9Very high95.5Very high0 Ų022.5 Ų22.50%012%0.124CC..EExtended strand (participates in β ladder)trans-141155.7173.900000111.4V289 A290 Y308 T329 V332 F333V289-A299 WeakPolarHBondContact CA-O 3.36Å; A290-A299 HydrophobicContact CB-CB 4.28Å; A290-A299 PolarHBondContact N-O 3.37Å; A290-A299 PolarHBondContact O-N 3.18Å; A299-Y308 WeakPolarHBondContact CA-O 3.39Å; A299-Y308 WeakPolarHBondContact CB-O 3.48Å; A299-T329 HydrophobicContact CB-CG2 4.06Å; A299-V332 HydrophobicContact CB-CB 4.15Å; A299-V332 HydrophobicContact CB-CG1 4.12Å; A299-V332 HydrophobicContact CB-CG2 4.11Å; A299-F333 HydrophobicContact CB-CE2 4.23Å
300A97.4Very high95.5Very high0 Ų022.5 Ų22.50%012%0.124CC..EExtended strand (participates in β ladder)trans-145152172.200000110.7L254 V286 E288 V289 V307 Y308 W310L254-A300 HydrophobicContact CD2-CB 4.24Å; V286-A300 HydrophobicContact CG1-CB 3.98Å; E288-A300 CarbonylContact O-C 3.43Å; E288-A300 WeakPolarHBondContact O-CA 3.34Å; V289-A300 HydrophobicContact CG1-CB 4.37Å; A300-V307 CarbonylContact O-C 3.5Å; A300-V307 WeakPolarHBondContact O-CA 3.31Å; A300-Y308 PolarHBondContact N-O 3.1Å; A300-Y308 PolarHBondContact O-N 2.78Å; A300-W310 HydrophobicContact CB-CH2 3.68Å; A300-W310 HydrophobicContact CB-CZ3 3.89Å
301K95.4Very high95.5Very high59 Ų5922.5 Ų22.526%0.25712%0.124SC..EExtended strand (participates in β ladder)trans-119.1136.3172.7-176.8175.6173.9173.90109.9V287 E288 H306 V307 S327 T329V287-K301 HydrophobicContact CG2-CB 4.49Å; V287-K301 HydrophobicContact CG2-CG 4.32Å; V287-K301 WeakPolarHBondContact CG2-O 3.45Å; V287-K301 PolarHBondContact N-O 2.96Å; E288-K301 HydrophobicContact CB-CB 4.11Å; E288-K301 PolarHBondContact N-O 2.83Å; E288-K301 PolarHBondContact O-N 3.35Å; K301-H306 CarbonylContact C-O 3.54Å; K301-H306 VanDerWaalsContact CA-O 3.29Å; K301-H306 WeakPolarHBondContact CA-O 3.48Å; K301-V307 HydrophobicContact CB-CG2 4.3Å; K301-V307 HydrophobicContact CD-CG2 4.29Å; K301-V307 HydrophobicContact CG-CG2 4.07Å; K301-S327 PolarHBondContact NZ-O 3.47Å; K301-T329 HydrophobicContact CB-CG2 4.15Å
302T94.3Very high95.5Very high1 Ų124 Ų241%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-93166.1175.367.80000111.6E284 R285 S304 G305 H306 Y308E284-T302 HydrophobicContact CB-CG2 4.19Å; E284-T302 PolarHBondContact OE2-OG1 2.96Å; R285-T302 CarbonylContact O-C 3.57Å; R285-T302 VanDerWaalsContact O-CA 3.28Å; R285-T302 WeakPolarHBondContact O-CA 3.46Å; R285-T302 WeakPolarHBondContact O-CB 3.49Å; T302-S304 PolarHBondContact O-N 3.39Å; T302-S304 PolarHBondContact OG1-OG 3.45Å; T302-G305 PolarHBondContact O-N 3Å; T302-H306 PolarHBondContact N-O 2.89Å; T302-H306 WeakPolarHBondContact OG1-CB 3.43Å; T302-H306 PolarHBondContact OG1-N 3.1Å; T302-Y308 HydrophobicContact CG2-CD2 4.2Å; T302-Y308 HydrophobicContact CG2-CE2 3.64Å
303Q90.5Very high95.5Very high141 Ų14124 Ų2466%0.65913%0.13SC*.THydrogen-bonded Turntrans-59.8-28.1178.2-1731769.500113.5R285 V287 G305R285-Q303 HydrophobicContact CB-CB 4.33Å; R285-Q303 PolarHBondContact O-N 3.05Å; V287-Q303 HydrophobicContact CG1-CB 3.78Å; V287-Q303 HydrophobicContact CG1-CG 4.35Å; Q303-G305 PolarHBondContact O-N 2.94Å
304S89.2Confident95.3Very high65 Ų6531.5 Ų31.546%0.45516%0.157SC..THydrogen-bonded Turntrans-76.9-6.6175.460.90000113.3E284 T302 H306E284-S304 WeakPolarHBondContact OE2-CB 3.43Å; E284-S304 PolarHBondContact OE2-OG 3.32Å; T302-S304 PolarHBondContact O-N 3.39Å; T302-S304 PolarHBondContact OG1-OG 3.45Å; S304-H306 PolarHBondContact OG-ND1 2.98Å
305G90.2Very high95.1Very high31 Ų3132.9 Ų32.932%0.3218%0.176SC..SBendtrans92.81.3-179.700000114.5T302 Q303T302-G305 PolarHBondContact O-N 3Å; Q303-G305 PolarHBondContact O-N 2.94Å
306H93.4Very high95.1Very high74 Ų7439.4 Ų39.434%0.34321%0.206SC..  trans-66.5132.4174.2-63.9132.8000111.2E284 K301 T302 S304 Y308 L323E284-H306 IonicContact OE2-ND1 3.43Å; E284-H306 PolarHBondContact OE2-ND1 2.76Å; K301-H306 CarbonylContact C-O 3.54Å; K301-H306 VanDerWaalsContact CA-O 3.29Å; K301-H306 WeakPolarHBondContact CA-O 3.48Å; T302-H306 PolarHBondContact N-O 2.89Å; T302-H306 WeakPolarHBondContact OG1-CB 3.43Å; T302-H306 PolarHBondContact OG1-N 3.1Å; S304-H306 PolarHBondContact OG-ND1 2.98Å; H306-Y308 HydrophobicContact CB-CE2 3.72Å; H306-L323 HydrophobicContact CB-CD1 3.65Å
307V95.7Very high95Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-110.4123.9177.6177.30000109.6A300 K301 T324 F326 V332A300-V307 CarbonylContact O-C 3.5Å; A300-V307 WeakPolarHBondContact O-CA 3.31Å; K301-V307 HydrophobicContact CB-CG2 4.3Å; K301-V307 HydrophobicContact CD-CG2 4.29Å; K301-V307 HydrophobicContact CG-CG2 4.07Å; V307-T324 WeakPolarHBondContact CB-OG1 3.45Å; V307-T324 WeakPolarHBondContact O-CB 3.31Å; V307-T324 PolarHBondContact O-N 3.15Å; V307-T324 PolarHBondContact O-OG1 3.47Å; V307-F326 HydrophobicContact CB-CB 4.35Å; V307-F326 HydrophobicContact CG1-CB 4.29Å; V307-F326 WeakPolarHBondContact CG2-O 3.49Å; V307-V332 HydrophobicContact CG1-CG2 3.69Å
308Y97.4Very high95Very high5 Ų541.4 Ų41.42%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-107.8148177.1-61.1-99.5000110.7E282 A299 A300 T302 H306 P321 H322 L323E282-Y308 HydrophobicContact CG-CE1 4.24Å; E282-Y308 WeakPolarHBondContact CG-OH 3.23Å; E282-Y308 PolarHBondContact OE2-OH 2.93Å; A299-Y308 WeakPolarHBondContact CA-O 3.39Å; A299-Y308 WeakPolarHBondContact CB-O 3.48Å; A300-Y308 PolarHBondContact N-O 3.1Å; A300-Y308 PolarHBondContact O-N 2.78Å; T302-Y308 HydrophobicContact CG2-CD2 4.2Å; T302-Y308 HydrophobicContact CG2-CE2 3.64Å; H306-Y308 HydrophobicContact CB-CE2 3.72Å; Y308-P321 HydrophobicContact CD1-CB 4.06Å; Y308-P321 HydrophobicContact CG-CB 4.33Å; Y308-H322 CarbonylContact C-O 3.53Å; Y308-H322 VanDerWaalsContact CA-O 3.25Å; Y308-H322 WeakPolarHBondContact CA-O 3.35Å; Y308-L323 HydrophobicContact CD1-CB 4.11Å; Y308-L323 HydrophobicContact CD1-CD1 4.49Å; Y308-L323 HydrophobicContact CE1-CB 3.86Å; Y308-L323 HydrophobicContact CE1-CD1 4.08Å; Y308-L323 HydrophobicContact CE2-CD1 4.25Å
309M97.3Very high95Very high12 Ų1243.4 Ų43.46%0.05923%0.233CC..EExtended strand (participates in β ladder)trans-132.9146.7173.170.9178.2179.800111.8S298 I318 H322 T324 V332 F336S298-M309 WeakPolarHBondContact O-CA 3.36Å; M309-I318 HydrophobicContact CE-CD1 4.09Å; M309-H322 PolarHBondContact N-O 3.45Å; M309-H322 WeakPolarHBondContact O-CB 3.49Å; M309-H322 PolarHBondContact O-N 3.49Å; M309-T324 HydrophobicContact CB-CG2 4Å; M309-T324 HydrophobicContact CE-CG2 4.1Å; M309-T324 HydrophobicContact CG-CG2 3.49Å; M309-T324 VanDerWaalsContact CG-CG2 3.49Å; M309-T324 HydrophobicContact SD-CG2 3.73Å; M309-V332 HydrophobicContact CB-CB 4.49Å; M309-V332 HydrophobicContact CB-CG1 3.48Å; M309-V332 VanDerWaalsContact CB-CG1 3.48Å; M309-V332 HydrophobicContact CB-CG2 4.14Å; M309-V332 HydrophobicContact CG-CG1 4.41Å; M309-V332 HydrophobicContact SD-CG1 4.12Å; M309-F336 HydrophobicContact CE-CD1 3.96Å; M309-F336 HydrophobicContact CE-CD2 4.38Å; M309-F336 HydrophobicContact CE-CE1 3.94Å; M309-F336 HydrophobicContact CE-CE2 4.35Å; M309-F336 HydrophobicContact CE-CG 4.22Å; M309-F336 HydrophobicContact CE-CZ 4.14Å; M309-F336 HydrophobicContact SD-CB 4.13Å; M309-F336 HydrophobicContact SD-CD1 4.13Å; M309-F336 HydrophobicContact SD-CD2 3.96Å; M309-F336 HydrophobicContact SD-CE2 4.43Å; M309-F336 HydrophobicContact SD-CG 3.82Å
310W98Very high94.9Very high0 Ų048.2 Ų48.20%026%0.259CS..EExtended strand (participates in β ladder)trans-156.9176.2173.562.895000111.6L246 L254 Q264 G266 I279 S298 A300 I318 P321L246-W310 HydrophobicContact CD1-CZ2 4.22Å; L246-W310 HydrophobicContact CD2-CZ2 4.45Å; L254-W310 HydrophobicContact CD2-CH2 3.77Å; L254-W310 HydrophobicContact CD2-CZ2 4.06Å; Q264-W310 VanDerWaalsContact C-CD1 3.46Å; Q264-W310 VanDerWaalsContact O-CD1 3.26Å; Q264-W310 PolarHBondContact O-NE1 2.92Å; G266-W310 VanDerWaalsContact CA-CD1 3.48Å; I279-W310 HydrophobicContact CD1-CZ2 4.2Å; S298-W310 PolarHBondContact N-O 3.18Å; S298-W310 PolarHBondContact O-N 2.98Å; A300-W310 HydrophobicContact CB-CH2 3.68Å; A300-W310 HydrophobicContact CB-CZ3 3.89Å; W310-I318 HydrophobicContact CB-CG2 4.09Å; W310-P321 HydrophobicContact CD2-CB 4.38Å; W310-P321 HydrophobicContact CD2-CG 4.2Å; W310-P321 HydrophobicContact CE3-CB 3.78Å; W310-P321 HydrophobicContact CE3-CG 4.03Å; W310-P321 HydrophobicContact CZ3-CB 4.21Å; W310-P321 HydrophobicContact CZ3-CG 4.43Å
311G98Very high94.9Very high0 Ų049.5 Ų49.50%027%0.267CS..EExtended strand (participates in β ladder)trans91.1-143.9-17300000113.1Y262 Q264 H296 C313 I318Y262-G311 CarbonylContact O-C 3.45Å; Q264-G311 VanDerWaalsContact CA-CA 3.47Å; H296-G311 WeakPolarHBondContact O-CA 3.32Å; G311-C313 PolarHBondContact O-N 3.3Å; G311-I318 PolarHBondContact N-O 3Å; G311-I318 PolarHBondContact O-N 3.31Å
312Q97.7Very high94.9Very high36 Ų3651.8 Ų51.817%0.16828%0.278CS..EExtended strand (participates in β ladder)trans-84.3106.8177.5-164178.415.400110.1Y262 H296 T297 Q316Y262-Q312 HydrophobicContact CD1-CB 4.16Å; Y262-Q312 HydrophobicContact CD1-CG 4.01Å; Y262-Q312 HydrophobicContact CE1-CG 4.46Å; Y262-Q312 HydrophobicContact CG-CB 3.94Å; Y262-Q312 HydrophobicContact CG-CG 4.3Å; H296-Q312 HydrophobicContact CB-CB 3.77Å; H296-Q312 PolarHBondContact CD2-OE1 3.05Å; H296-Q312 VanDerWaalsContact CD2-OE1 3.25Å; H296-Q312 PolarHBondContact O-N 2.65Å; T297-Q312 PolarHBondContact OG1-O 3Å; Q312-Q316 CarbonylContact C-O 3.58Å; Q312-Q316 VanDerWaalsContact CA-O 3.29Å; Q312-Q316 WeakPolarHBondContact CA-O 3.41Å
313C95.8Very high94.9Very high3 Ų355.3 Ų55.32%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-121.5112.3-178.3-620000109.7G311 G315 Q316 I318 F336G311-C313 PolarHBondContact O-N 3.3Å; C313-G315 PolarHBondContact O-N 3.46Å; C313-Q316 PolarHBondContact N-O 3.15Å; C313-Q316 WeakPolarHBondContact O-CB 3.11Å; C313-Q316 PolarHBondContact O-N 2.79Å; C313-I318 HydrophobicContact CB-CD1 3.67Å; C313-I318 HydrophobicContact CB-CG1 4.28Å; C313-F336 CarbonylContact C-O 3.52Å; C313-F336 WeakPolarHBondContact CA-O 3.4Å; C313-F336 HydrophobicContact CB-CB 4.14Å; C313-F336 HydrophobicContact CB-CD1 4.18Å
314R90.6Very high95.2Very high174 Ų17449.3 Ų49.366%0.65727%0.27SS*.THydrogen-bonded Turntrans47.444-173.9-55.8-177.489.9166.27.2113.2Q316 C335 F336R314-Q316 PolarHBondContact O-N 2.7Å; R314-C335 WeakPolarHBondContact CD-O 3.26Å; R314-F336 HydrophobicContact CB-CD1 4.42Å; R314-F336 VanDerWaalsContact CD-CD1 3.47Å; R314-F336 HydrophobicContact CG-CB 4.22Å; R314-F336 HydrophobicContact CG-CD1 3.55Å; R314-F336 HydrophobicContact CG-CE1 4.19Å; R314-F336 HydrophobicContact CG-CG 4.09Å; R314-F336 PolarHBondContact N-O 2.77Å
315G89.1Confident95.4Very high56 Ų5656 Ų5658%0.57729%0.294SS*.THydrogen-bonded Turntrans78.3-6.6-178.400000115.4C313C313-G315 PolarHBondContact O-N 3.46Å
316Q94.9Very high95.5Very high137 Ų13756.8 Ų56.864%0.6429%0.288SS*.EExtended strand (participates in β ladder)trans-88.9150.5174-60.3-172.8-12.400111.3Q312 C313 R314Q312-Q316 CarbonylContact C-O 3.58Å; Q312-Q316 VanDerWaalsContact CA-O 3.29Å; Q312-Q316 WeakPolarHBondContact CA-O 3.41Å; C313-Q316 PolarHBondContact N-O 3.15Å; C313-Q316 WeakPolarHBondContact O-CB 3.11Å; C313-Q316 PolarHBondContact O-N 2.79Å; R314-Q316 PolarHBondContact O-N 2.7Å
317S97.1Very high95.3Very high44 Ų4456 Ų5631%0.30829%0.291SS..EExtended strand (participates in β ladder)trans-102.1106.9177.4177.10000109.5Y262 K270Y262-S317 WeakPolarHBondContact CA-OG 3.4Å; Y262-S317 PolarHBondContact O-OG 2.58Å; K270-S317 WeakPolarHBondContact CE-OG 3.07Å; K270-S317 PolarHBondContact NZ-OG 2.82Å
318I97.4Very high95.2Very high31 Ų3156.4 Ų56.416%0.15929%0.294CS..EExtended strand (participates in β ladder)trans-100.1108.2178.7-58.2-176.5000107.7M309 W310 G311 C313 L320 H322M309-I318 HydrophobicContact CE-CD1 4.09Å; W310-I318 HydrophobicContact CB-CG2 4.09Å; G311-I318 PolarHBondContact N-O 3Å; G311-I318 PolarHBondContact O-N 3.31Å; C313-I318 HydrophobicContact CB-CD1 3.67Å; C313-I318 HydrophobicContact CB-CG1 4.28Å; I318-L320 WeakPolarHBondContact CG2-O 3.25Å; I318-H322 HydrophobicContact CG2-CB 3.96Å
319V97.4Very high95.1Very high42 Ų4256.1 Ų56.126%0.25529%0.293SS..EExtended strand (participates in β ladder)trans-90.8-9-171.7-62.60000114.8G266 T267 G268 K270G266-V319 CarbonylContact C-O 3.4Å; G266-V319 VanDerWaalsContact CA-O 3.28Å; G266-V319 WeakPolarHBondContact CA-O 3.34Å; T267-V319 PolarHBondContact N-O 2.86Å; G268-V319 WeakPolarHBondContact CA-O 3.39Å; G268-V319 PolarHBondContact N-O 2.87Å; K270-V319 HydrophobicContact CG-CG1 4.01Å
320L96.3Very high95Very high101 Ų10155.8 Ų55.853%0.52929%0.291SS..EExtended strand (participates in β ladder)trans-128.4148.1176.5-73.4169.3000109.4I318 H322I318-L320 WeakPolarHBondContact CG2-O 3.25Å; L320-H322 PolarHBondContact O-N 2.92Å
321P96.3Very high94.8Very high27 Ų2756 Ų5618%0.17529%0.292CS..EExtended strand (participates in β ladder)trans-51.9115.8172.6-25.834.9000111.2G266 I279 T281 Y308 W310G266-P321 WeakPolarHBondContact O-CD 3.19Å; I279-P321 HydrophobicContact CG2-CG 3.86Å; T281-P321 HydrophobicContact CG2-CB 4.14Å; T281-P321 HydrophobicContact CG2-CG 4.21Å; Y308-P321 HydrophobicContact CD1-CB 4.06Å; Y308-P321 HydrophobicContact CG-CB 4.33Å; W310-P321 HydrophobicContact CD2-CB 4.38Å; W310-P321 HydrophobicContact CD2-CG 4.2Å; W310-P321 HydrophobicContact CE3-CB 3.78Å; W310-P321 HydrophobicContact CE3-CG 4.03Å; W310-P321 HydrophobicContact CZ3-CB 4.21Å; W310-P321 HydrophobicContact CZ3-CG 4.43Å
322H95.4Very high94.8Very high107 Ų10756 Ų5650%0.49529%0.292SS..EExtended strand (participates in β ladder)trans-102.4122.4-179.9-176.678.4000109.8Y308 M309 I318 L320Y308-H322 CarbonylContact C-O 3.53Å; Y308-H322 VanDerWaalsContact CA-O 3.25Å; Y308-H322 WeakPolarHBondContact CA-O 3.35Å; M309-H322 PolarHBondContact N-O 3.45Å; M309-H322 WeakPolarHBondContact O-CB 3.49Å; M309-H322 PolarHBondContact O-N 3.49Å; I318-H322 HydrophobicContact CG2-CB 3.96Å; L320-H322 PolarHBondContact O-N 2.92Å
323L95.8Very high94.7Very high75 Ų7554.2 Ų54.239%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-63.6133.3176.6179.862.9000110.5H306 Y308H306-L323 HydrophobicContact CB-CD1 3.65Å; Y308-L323 HydrophobicContact CD1-CB 4.11Å; Y308-L323 HydrophobicContact CD1-CD1 4.49Å; Y308-L323 HydrophobicContact CE1-CB 3.86Å; Y308-L323 HydrophobicContact CE1-CD1 4.08Å; Y308-L323 HydrophobicContact CE2-CD1 4.25Å
324T95.3Very high94.7Very high16 Ų1654.5 Ų54.510%0.09829%0.286CS..  trans-112.3170.4179.773.40000111.5V307 M309 F326V307-T324 WeakPolarHBondContact CB-OG1 3.45Å; V307-T324 WeakPolarHBondContact O-CB 3.31Å; V307-T324 PolarHBondContact O-N 3.15Å; V307-T324 PolarHBondContact O-OG1 3.47Å; M309-T324 HydrophobicContact CB-CG2 4Å; M309-T324 HydrophobicContact CE-CG2 4.1Å; M309-T324 HydrophobicContact CG-CG2 3.49Å; M309-T324 VanDerWaalsContact CG-CG2 3.49Å; M309-T324 HydrophobicContact SD-CG2 3.73Å; T324-F326 VanDerWaalsContact C-N 3.29Å; T324-F326 HydrophobicContact CG2-CD2 4.09Å; T324-F326 WeakPolarHBondContact OG1-CD2 3.2Å; T324-F326 PolarHBondContact OG1-N 2.83Å
325H93.9Very high94.8Very high206 Ų20648.4 Ų48.495%0.95427%0.27SS*.SBendtrans-91.711.9170.5-59.5-56.4000112.9
326F92.9Very high95.1Very high47 Ų4748.2 Ų48.221%0.20625%0.253CS..  trans-82.6158.4-179.9-62.6-54.8000112.3V307 T324 D331 V332 C335 F336V307-F326 HydrophobicContact CB-CB 4.35Å; V307-F326 HydrophobicContact CG1-CB 4.29Å; V307-F326 WeakPolarHBondContact CG2-O 3.49Å; T324-F326 VanDerWaalsContact C-N 3.29Å; T324-F326 HydrophobicContact CG2-CD2 4.09Å; T324-F326 WeakPolarHBondContact OG1-CD2 3.2Å; T324-F326 PolarHBondContact OG1-N 2.83Å; F326-D331 HydrophobicContact CB-CB 3.86Å; F326-D331 HydrophobicContact CD1-CB 3.44Å; F326-D331 VanDerWaalsContact CD1-CB 3.44Å; F326-D331 HydrophobicContact CD2-CB 4.25Å; F326-D331 HydrophobicContact CE1-CB 3.96Å; F326-D331 HydrophobicContact CG-CB 3.6Å; F326-V332 HydrophobicContact CD2-CG2 3.87Å; F326-V332 HydrophobicContact CE2-CG2 4.44Å; F326-C335 HydrophobicContact CE1-CB 4.47Å; F326-C335 HydrophobicContact CE2-CB 4.46Å; F326-C335 HydrophobicContact CZ-CB 3.72Å; F326-F336 AromaticContact CE2-CD2 3.7Å; F326-F336 HydrophobicContact CE2-CD2 3.7Å; F326-F336 AromaticContact CE2-CE2 3.62Å; F326-F336 HydrophobicContact CE2-CE2 3.62Å; F326-F336 AromaticContact CZ-CD2 3.93Å; F326-F336 HydrophobicContact CZ-CD2 3.93Å; F326-F336 AromaticContact CZ-CE2 3.64Å; F326-F336 HydrophobicContact CZ-CE2 3.64Å
327S89.4Confident95.1Very high56 Ų5642.1 Ų42.139%0.39223%0.226SC..SBendtrans-103.5-13.5-179.864.60000113.9K301K301-S327 PolarHBondContact NZ-O 3.47Å
328C92.2Very high94.9Very high9 Ų943.5 Ų43.56%0.06123%0.233CC..SBendtrans-145.7159.2177.664.50000110.7D330C328-D330 VanDerWaalsContact C-N 3.29Å
329T95.5Very high94.8Very high0 Ų043.4 Ų43.40%023%0.234CC..Hα-helixtrans-70.5-27.3178.956.80000112.2E288 A290 A299 K301 D331 V332 F333 W343E288-T329 HydrophobicContact CG-CG2 4.39Å; E288-T329 WeakPolarHBondContact OE1-CB 3.36Å; E288-T329 WeakPolarHBondContact OE1-CG2 3.39Å; E288-T329 PolarHBondContact OE1-OG1 3.14Å; A290-T329 HydrophobicContact CB-CG2 4.23Å; A299-T329 HydrophobicContact CB-CG2 4.06Å; K301-T329 HydrophobicContact CB-CG2 4.15Å; T329-D331 VanDerWaalsContact C-N 3.26Å; T329-D331 PolarHBondContact O-N 3.33Å; T329-V332 VanDerWaalsContact O-CB 3.24Å; T329-V332 WeakPolarHBondContact O-CB 3.47Å; T329-V332 PolarHBondContact O-N 2.86Å; T329-F333 WeakPolarHBondContact O-CD2 2.73Å; T329-F333 PolarHBondContact O-N 2.97Å; T329-W343 WeakPolarHBondContact OG1-CZ2 3.44Å
330D95.5Very high94.6Very high4 Ų442.4 Ų42.42%0.02123%0.229CC..Hα-helixtrans-58.5-37.2177.5-58-70.2000112.4C328 V332 F333 A334 W343 R344 L346C328-D330 VanDerWaalsContact C-N 3.29Å; D330-V332 VanDerWaalsContact C-N 3.26Å; D330-V332 PolarHBondContact O-N 3.24Å; D330-F333 PolarHBondContact O-N 3.01Å; D330-F333 VanDerWaalsContact O-N 3.13Å; D330-A334 PolarHBondContact O-N 3.2Å; D330-W343 PolarHBondContact OD1-NE1 2.89Å; D330-R344 IonicContact OD1-NE 3.7Å; D330-R344 IonicContact OD2-CZ 3.95Å; D330-R344 IonicContact OD2-NE 3.76Å; D330-R344 IonicContact OD2-NH2 3.55Å; D330-R344 PolarHBondContact OD2-NH2 2.9Å; D330-L346 HydrophobicContact CB-CD1 3.55Å
331D94.9Very high94.6Very high4 Ų437.6 Ų37.62%0.02120%0.204CC..Hα-helixtrans-62.4-32.6175.7-69.8-20.9000112.8K6 F326 T329 F333 A334 C335K6-D331 WeakPolarHBondContact CD-OD1 3.47Å; K6-D331 WeakPolarHBondContact CE-OD1 3.37Å; K6-D331 IonicContact NZ-OD1 2.58Å; K6-D331 PolarHBondContact NZ-OD1 3.07Å; K6-D331 IonicContact NZ-OD2 3.27Å; K6-D331 PolarHBondContact NZ-OD2 3.36Å; F326-D331 HydrophobicContact CB-CB 3.86Å; F326-D331 HydrophobicContact CD1-CB 3.44Å; F326-D331 VanDerWaalsContact CD1-CB 3.44Å; F326-D331 HydrophobicContact CD2-CB 4.25Å; F326-D331 HydrophobicContact CE1-CB 3.96Å; F326-D331 HydrophobicContact CG-CB 3.6Å; T329-D331 VanDerWaalsContact C-N 3.26Å; T329-D331 PolarHBondContact O-N 3.33Å; D331-F333 VanDerWaalsContact C-N 3.33Å; D331-A334 PolarHBondContact O-N 2.94Å; D331-C335 WeakPolarHBondContact O-CB 3.09Å; D331-C335 PolarHBondContact O-N 2.93Å; D331-C335 PolarHBondContact O-SG 2.94Å; D331-C335 VanDerWaalsContact O-SG 3.32Å
332V96.3Very high94.6Very high0 Ų036.3 Ų36.30%020%0.196CC..Hα-helixtrans-62.8-44.6175.4177.90000109.4T297 A299 V307 M309 F326 T329 D330 F336 A337T297-V332 HydrophobicContact CG2-CG1 4.06Å; A299-V332 HydrophobicContact CB-CB 4.15Å; A299-V332 HydrophobicContact CB-CG1 4.12Å; A299-V332 HydrophobicContact CB-CG2 4.11Å; V307-V332 HydrophobicContact CG1-CG2 3.69Å; M309-V332 HydrophobicContact CB-CB 4.49Å; M309-V332 HydrophobicContact CB-CG1 3.48Å; M309-V332 VanDerWaalsContact CB-CG1 3.48Å; M309-V332 HydrophobicContact CB-CG2 4.14Å; M309-V332 HydrophobicContact CG-CG1 4.41Å; M309-V332 HydrophobicContact SD-CG1 4.12Å; F326-V332 HydrophobicContact CD2-CG2 3.87Å; F326-V332 HydrophobicContact CE2-CG2 4.44Å; T329-V332 VanDerWaalsContact O-CB 3.24Å; T329-V332 WeakPolarHBondContact O-CB 3.47Å; T329-V332 PolarHBondContact O-N 2.86Å; D330-V332 VanDerWaalsContact C-N 3.26Å; D330-V332 PolarHBondContact O-N 3.24Å; V332-F336 WeakPolarHBondContact O-CA 3.2Å; V332-F336 WeakPolarHBondContact O-CB 3.44Å; V332-F336 PolarHBondContact O-N 3.18Å; V332-A337 PolarHBondContact O-N 2.81Å
333F96.6Very high94.5Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-69.6-42.8179.3-76.1-94.9000111.8W7 A290 C292 A299 T329 D330 D331 C335 A337 S340 W343W7-F333 HydrophobicContact CH2-CB 3.85Å; A290-F333 HydrophobicContact CB-CD2 4.49Å; A290-F333 HydrophobicContact CB-CE2 3.66Å; A290-F333 HydrophobicContact CB-CZ 4.36Å; C292-F333 HydrophobicContact CB-CD1 4.23Å; C292-F333 HydrophobicContact CB-CE1 3.76Å; A299-F333 HydrophobicContact CB-CE2 4.23Å; T329-F333 WeakPolarHBondContact O-CD2 2.73Å; T329-F333 PolarHBondContact O-N 2.97Å; D330-F333 PolarHBondContact O-N 3.01Å; D330-F333 VanDerWaalsContact O-N 3.13Å; D331-F333 VanDerWaalsContact C-N 3.33Å; F333-C335 VanDerWaalsContact C-N 3.32Å; F333-C335 PolarHBondContact O-N 2.83Å; F333-A337 HydrophobicContact CB-CB 4.2Å; F333-A337 HydrophobicContact CD1-CB 3.69Å; F333-A337 HydrophobicContact CE1-CB 4.39Å; F333-A337 HydrophobicContact CG-CB 4.24Å; F333-A337 WeakPolarHBondContact O-CB 3.41Å; F333-A337 PolarHBondContact O-N 2.98Å; F333-S340 PolarHBondContact O-OG 2.96Å; F333-W343 HydrophobicContact CD1-CB 4.49Å; F333-W343 AromaticContact CD2-CD1 3.57Å; F333-W343 HydrophobicContact CD2-CG 4.33Å; F333-W343 HydrophobicContact CE1-CB 4.31Å; F333-W343 HydrophobicContact CE2-CB 4.49Å; F333-W343 AromaticContact CE2-CD1 3.87Å; F333-W343 HydrophobicContact CE2-CG 4.26Å; F333-W343 HydrophobicContact CZ-CB 4.33Å
334A95.4Very high94.4Very high9 Ų933.6 Ų33.67%0.07418%0.176CC..Hα-helixtrans-56.7-45.1176.300000112.1K6 W7 D330 D331 S340K6-A334 HydrophobicContact CB-CB 4.14Å; W7-A334 HydrophobicContact CD2-CB 3.93Å; W7-A334 HydrophobicContact CE3-CB 4.28Å; W7-A334 HydrophobicContact CG-CB 4.43Å; W7-A334 HydrophobicContact CH2-CB 4.18Å; W7-A334 HydrophobicContact CZ2-CB 3.81Å; W7-A334 HydrophobicContact CZ3-CB 4.39Å; D330-A334 PolarHBondContact O-N 3.2Å; D331-A334 PolarHBondContact O-N 2.94Å; A334-S340 VanDerWaalsContact C-OG 3.28Å; A334-S340 VanDerWaalsContact CA-OG 3.28Å; A334-S340 WeakPolarHBondContact CA-OG 3.05Å; A334-S340 PolarHBondContact O-OG 3.12Å
335C94.1Very high94.3Very high45 Ų4535.1 Ų35.130%0.30419%0.186SC..Hα-helixtrans-95.6-31.1-170.4-60.70000114.6R314 F326 D331 F333R314-C335 WeakPolarHBondContact CD-O 3.26Å; F326-C335 HydrophobicContact CE1-CB 4.47Å; F326-C335 HydrophobicContact CE2-CB 4.46Å; F326-C335 HydrophobicContact CZ-CB 3.72Å; D331-C335 WeakPolarHBondContact O-CB 3.09Å; D331-C335 PolarHBondContact O-N 2.93Å; D331-C335 PolarHBondContact O-SG 2.94Å; D331-C335 VanDerWaalsContact O-SG 3.32Å; F333-C335 VanDerWaalsContact C-N 3.32Å; F333-C335 PolarHBondContact O-N 2.83Å
336F95.4Very high94.2Very high53 Ų5325.4 Ų25.423%0.23214%0.141CC..Hα-helixtrans-125.7-17.1-166.7-72.8-92.6000115.8M309 C313 R314 F326 V332M309-F336 HydrophobicContact CE-CD1 3.96Å; M309-F336 HydrophobicContact CE-CD2 4.38Å; M309-F336 HydrophobicContact CE-CE1 3.94Å; M309-F336 HydrophobicContact CE-CE2 4.35Å; M309-F336 HydrophobicContact CE-CG 4.22Å; M309-F336 HydrophobicContact CE-CZ 4.14Å; M309-F336 HydrophobicContact SD-CB 4.13Å; M309-F336 HydrophobicContact SD-CD1 4.13Å; M309-F336 HydrophobicContact SD-CD2 3.96Å; M309-F336 HydrophobicContact SD-CE2 4.43Å; M309-F336 HydrophobicContact SD-CG 3.82Å; C313-F336 CarbonylContact C-O 3.52Å; C313-F336 WeakPolarHBondContact CA-O 3.4Å; C313-F336 HydrophobicContact CB-CB 4.14Å; C313-F336 HydrophobicContact CB-CD1 4.18Å; R314-F336 HydrophobicContact CB-CD1 4.42Å; R314-F336 VanDerWaalsContact CD-CD1 3.47Å; R314-F336 HydrophobicContact CG-CB 4.22Å; R314-F336 HydrophobicContact CG-CD1 3.55Å; R314-F336 HydrophobicContact CG-CE1 4.19Å; R314-F336 HydrophobicContact CG-CG 4.09Å; R314-F336 PolarHBondContact N-O 2.77Å; F326-F336 AromaticContact CE2-CD2 3.7Å; F326-F336 HydrophobicContact CE2-CD2 3.7Å; F326-F336 AromaticContact CE2-CE2 3.62Å; F326-F336 HydrophobicContact CE2-CE2 3.62Å; F326-F336 AromaticContact CZ-CD2 3.93Å; F326-F336 HydrophobicContact CZ-CD2 3.93Å; F326-F336 AromaticContact CZ-CE2 3.64Å; F326-F336 HydrophobicContact CZ-CE2 3.64Å; V332-F336 WeakPolarHBondContact O-CA 3.2Å; V332-F336 WeakPolarHBondContact O-CB 3.44Å; V332-F336 PolarHBondContact O-N 3.18Å
337A94.9Very high94.1Very high8 Ų825.2 Ų25.27%0.06615%0.145CC..SBendtrans-71.3155.7175.300000111.8T295 V332 F333 P339T295-A337 HydrophobicContact CG2-CB 4.21Å; V332-A337 PolarHBondContact O-N 2.81Å; F333-A337 HydrophobicContact CB-CB 4.2Å; F333-A337 HydrophobicContact CD1-CB 3.69Å; F333-A337 HydrophobicContact CE1-CB 4.39Å; F333-A337 HydrophobicContact CG-CB 4.24Å; F333-A337 WeakPolarHBondContact O-CB 3.41Å; F333-A337 PolarHBondContact O-N 2.98Å; A337-P339 CarbonylContact C-O 3.58Å; A337-P339 WeakPolarHBondContact CB-O 3.25Å; A337-P339 CarbonylContact O-C 3.53Å
338T92.9Very high93.9Very high73 Ų7324.6 Ų24.645%0.44814%0.137SC..SBendtrans-136.8108.3175.6-54.70000108.8
339P93.6Very high92.6Very high29 Ų2928.9 Ų28.919%0.18816%0.156CC..SBendcis-68.1162.2-4.731.4-36000113.1A31 A337 V341A31-P339 HydrophobicContact CB-CB 4.4Å; A337-P339 CarbonylContact C-O 3.58Å; A337-P339 WeakPolarHBondContact CB-O 3.25Å; A337-P339 CarbonylContact O-C 3.53Å; P339-V341 VanDerWaalsContact C-N 3.28Å; P339-V341 HydrophobicContact CB-CG1 4.09Å; P339-V341 HydrophobicContact CG-CG1 3.97Å; P339-V341 HydrophobicContact CG-CG2 4.21Å; P339-V341 PolarHBondContact O-N 3.26Å
340S94.9Very high90.6Very high21 Ų2134.5 Ų34.515%0.14718%0.182CC..  trans-78.974.3177.5178.50000110.4W7 A31 F333 A334W7-S340 VanDerWaalsContact CZ3-O 3.29Å; W7-S340 WeakPolarHBondContact CZ3-O 3.48Å; A31-S340 WeakPolarHBondContact CB-O 3.41Å; F333-S340 PolarHBondContact O-OG 2.96Å; A334-S340 VanDerWaalsContact C-OG 3.28Å; A334-S340 VanDerWaalsContact CA-OG 3.28Å; A334-S340 WeakPolarHBondContact CA-OG 3.05Å; A334-S340 PolarHBondContact O-OG 3.12Å
341V95.4Very high88.2Confident0 Ų040.2 Ų40.20%021%0.213CC..  trans-117.7155.1-177.6-62.90000111.9W7 V26 G28 A31 Y81 S294 T295 P339W7-V341 VanDerWaalsContact CZ3-C 3.49Å; V26-V341 WeakPolarHBondContact O-CA 3.49Å; V26-V341 WeakPolarHBondContact O-CB 3.5Å; G28-V341 WeakPolarHBondContact O-CG1 3.39Å; A31-V341 HydrophobicContact CB-CG1 3.78Å; Y81-V341 WeakPolarHBondContact OH-CB 3.05Å; Y81-V341 WeakPolarHBondContact OH-CG2 3.33Å; S294-V341 WeakPolarHBondContact OG-CG2 3.32Å; T295-V341 HydrophobicContact CG2-CG2 3.98Å; P339-V341 VanDerWaalsContact C-N 3.28Å; P339-V341 HydrophobicContact CB-CG1 4.09Å; P339-V341 HydrophobicContact CG-CG1 3.97Å; P339-V341 HydrophobicContact CG-CG2 4.21Å; P339-V341 PolarHBondContact O-N 3.26Å
342M96.4Very high85.8Confident1 Ų147.6 Ų47.61%0.00525%0.252CS..  trans-80.7126.7-174.2-74.4-176.9-179.900111.8W7 A24 C25 V26 Y81 R344 L346W7-M342 HydrophobicContact CD2-CE 3.48Å; W7-M342 VanDerWaalsContact CD2-CE 3.48Å; W7-M342 HydrophobicContact CD2-CG 4.15Å; W7-M342 HydrophobicContact CE3-CE 4.19Å; W7-M342 HydrophobicContact CE3-CG 4.03Å; W7-M342 HydrophobicContact CG-CE 3.66Å; W7-M342 HydrophobicContact CH2-CB 4.11Å; W7-M342 HydrophobicContact CH2-CG 3.27Å; W7-M342 HydrophobicContact CZ2-CE 3.86Å; W7-M342 HydrophobicContact CZ2-CG 3.4Å; W7-M342 HydrophobicContact CZ2-SD 4.39Å; W7-M342 HydrophobicContact CZ3-CB 4.48Å; W7-M342 HydrophobicContact CZ3-CG 3.6Å; W7-M342 VanDerWaalsContact NE1-CE 3.33Å; A24-M342 VanDerWaalsContact C-SD 3.59Å; A24-M342 HydrophobicContact CB-CE 4.23Å; C25-M342 WeakPolarHBondContact CA-SD 3.42Å; V26-M342 HydrophobicContact CB-CE 4.39Å; V26-M342 HydrophobicContact CB-CG 4.18Å; V26-M342 HydrophobicContact CB-SD 4.4Å; V26-M342 HydrophobicContact CG2-CE 3.82Å; V26-M342 HydrophobicContact CG2-SD 4.33Å; V26-M342 PolarHBondContact N-SD 2.96Å; V26-M342 PolarHBondContact O-N 3.39Å; Y81-M342 PolarHBondContact OH-O 2.99Å; M342-R344 VanDerWaalsContact C-N 3.28Å; M342-R344 WeakPolarHBondContact CB-O 3.38Å; M342-R344 PolarHBondContact O-N 3.39Å; M342-L346 HydrophobicContact CE-CB 3.84Å; M342-L346 HydrophobicContact CE-CD2 3.84Å; M342-L346 HydrophobicContact CE-CG 4.48Å; M342-L346 HydrophobicContact SD-CB 3.81Å
343W94.3Very high83.6Confident38 Ų3855.4 Ų55.414%0.14429%0.286CS..SBendtrans-75.5-19177.568.4-84.5000113.4V239 E288 A290 C292 T329 D330 F333V239-W343 HydrophobicContact CG1-CE3 4.44Å; V239-W343 HydrophobicContact CG1-CZ3 4.2Å; E288-W343 HydrophobicContact CG-CH2 4.32Å; E288-W343 HydrophobicContact CG-CZ2 4.44Å; A290-W343 HydrophobicContact CB-CD2 3.64Å; A290-W343 VanDerWaalsContact CB-CE2 3.42Å; A290-W343 HydrophobicContact CB-CE3 4.18Å; A290-W343 HydrophobicContact CB-CG 3.99Å; A290-W343 HydrophobicContact CB-CH2 4.21Å; A290-W343 HydrophobicContact CB-CZ2 3.71Å; A290-W343 HydrophobicContact CB-CZ3 4.45Å; C292-W343 HydrophobicContact CB-CB 3.8Å; T329-W343 WeakPolarHBondContact OG1-CZ2 3.44Å; D330-W343 PolarHBondContact OD1-NE1 2.89Å; F333-W343 HydrophobicContact CD1-CB 4.49Å; F333-W343 AromaticContact CD2-CD1 3.57Å; F333-W343 HydrophobicContact CD2-CG 4.33Å; F333-W343 HydrophobicContact CE1-CB 4.31Å; F333-W343 HydrophobicContact CE2-CB 4.49Å; F333-W343 AromaticContact CE2-CD1 3.87Å; F333-W343 HydrophobicContact CE2-CG 4.26Å; F333-W343 HydrophobicContact CZ-CB 4.33Å
344R93.3Very high81.8Confident87 Ų8759.1 Ų59.133%0.32831%0.306SS..SBendtrans-147.7159.4170.964.3174.8175.5-160.3-6.9109.1E288 D330 M342 L346E288-R344 IonicContact OE1-NH2 3.74Å; E288-R344 IonicContact OE2-CZ 2.82Å; E288-R344 VanDerWaalsContact OE2-CZ 3.25Å; E288-R344 IonicContact OE2-NH1 2.86Å; E288-R344 PolarHBondContact OE2-NH1 3.24Å; E288-R344 IonicContact OE2-NH2 3.43Å; E288-R344 PolarHBondContact OE2-NH2 2.88Å; D330-R344 IonicContact OD1-NE 3.7Å; D330-R344 IonicContact OD2-CZ 3.95Å; D330-R344 IonicContact OD2-NE 3.76Å; D330-R344 IonicContact OD2-NH2 3.55Å; D330-R344 PolarHBondContact OD2-NH2 2.9Å; M342-R344 VanDerWaalsContact C-N 3.28Å; M342-R344 WeakPolarHBondContact CB-O 3.38Å; M342-R344 PolarHBondContact O-N 3.39Å; R344-L346 PolarHBondContact O-N 3.45Å
345P92.6Very high81Confident48 Ų4862.4 Ų62.431%0.31233%0.325SS..PPolyproline II helixtrans-55.6123.1166-23.634.9000110.4A24 L79A24-P345 CarbonylContact O-C 3.53Å; A24-P345 WeakPolarHBondContact O-CA 3.23Å; L79-P345 HydrophobicContact CB-CG 4.01Å; L79-P345 HydrophobicContact CD2-CG 4.45Å
346L92.6Very high80.3Confident2 Ų265.8 Ų65.81%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-71.2127.2178.5-168.265.3000109.2V2 V4 K23 A24 D330 M342 R344 M348V2-L346 HydrophobicContact CG1-CD1 3.26Å; V2-L346 HydrophobicContact CG1-CD2 3.54Å; V2-L346 HydrophobicContact CG1-CG 3.38Å; V4-L346 HydrophobicContact CG1-CD2 4.19Å; K23-L346 CarbonylContact C-O 3.52Å; K23-L346 WeakPolarHBondContact CA-O 3.47Å; A24-L346 PolarHBondContact N-O 3.14Å; A24-L346 PolarHBondContact O-N 3.19Å; D330-L346 HydrophobicContact CB-CD1 3.55Å; M342-L346 HydrophobicContact CE-CB 3.84Å; M342-L346 HydrophobicContact CE-CD2 3.84Å; M342-L346 HydrophobicContact CE-CG 4.48Å; M342-L346 HydrophobicContact SD-CB 3.81Å; R344-L346 PolarHBondContact O-N 3.45Å; L346-M348 HydrophobicContact CD2-SD 4.18Å
347S89.9Confident79.5Confident43 Ų4366.3 Ų66.330%0.30136%0.358SS..EExtended strand (participates in β ladder)trans-99.7126171.6-157.50000109.6E349S347-E349 VanDerWaalsContact C-N 3.34Å
348M85.1Confident78.8Confident42 Ų4270.6 Ų70.621%0.20738%0.377CS..  trans-90.6-6.5176.3-61.7-66.9-71.400111.9V2 V4 I21 R22 L346 H350V2-M348 HydrophobicContact CB-SD 4.42Å; V2-M348 HydrophobicContact CG1-SD 3.86Å; V2-M348 WeakPolarHBondContact O-CE 3.3Å; V4-M348 HydrophobicContact CG1-CE 4.29Å; V4-M348 HydrophobicContact CG1-CG 4.1Å; V4-M348 HydrophobicContact CG1-SD 3.76Å; V4-M348 HydrophobicContact CG2-CE 4.05Å; I21-M348 WeakPolarHBondContact O-CB 3.46Å; I21-M348 WeakPolarHBondContact O-CG 3.16Å; R22-M348 WeakPolarHBondContact O-CB 3.29Å; R22-M348 PolarHBondContact O-N 3.01Å; L346-M348 HydrophobicContact CD2-SD 4.18Å; M348-H350 PolarHBondContact O-N 2.98Å; M348-H350 VanDerWaalsContact O-N 3.1Å
349E65.9Low78.6Confident99 Ų9968.8 Ų68.846%0.46337%0.369SS..  trans-52.7118.7171.4-67.8176.8-172.800107.9R22 S347 D351R22-E349 WeakPolarHBondContact CD-OE1 3.4Å; R22-E349 HydrophobicContact CG-CG 3.89Å; R22-E349 IonicContact CZ-OE1 2.63Å; R22-E349 IonicContact NE-OE1 3.78Å; R22-E349 IonicContact NH1-OE1 3.94Å; R22-E349 PolarHBondContact NH1-OE1 3.36Å; S347-E349 VanDerWaalsContact C-N 3.34Å; E349-D351 PolarHBondContact O-N 3.27Å; E349-D351 VanDerWaalsContact O-N 3.16Å
350H53.5Low78.4Confident118 Ų11870.4 Ų70.455%0.54638%0.376SS..  trans-63.2118.4159.8-74.536.3000104.3M1 M348 D352M1-H350 WeakPolarHBondContact CE-NE2 3.19Å; M1-H350 VanDerWaalsContact SD-CE1 3.52Å; M348-H350 PolarHBondContact O-N 2.98Å; M348-H350 VanDerWaalsContact O-N 3.1Å; H350-D352 VanDerWaalsContact C-N 3.29Å; H350-D352 PolarHBondContact O-N 3.04Å
351D43.6Very low78.2Confident125 Ų12575 Ų7567%0.66839%0.394SS*.  trans-48.7104.5164.8-86.4-31.1000107.2E349 F353E349-D351 PolarHBondContact O-N 3.27Å; E349-D351 VanDerWaalsContact O-N 3.16Å; D351-F353 HydrophobicContact CB-CD2 3.56Å; D351-F353 HydrophobicContact CB-CE2 4.08Å; D351-F353 HydrophobicContact CB-CG 4.42Å; D351-F353 PolarHBondContact O-N 2.9Å; D351-F353 WeakPolarHBondContact OD1-CE2 3.21Å
352D44.8Very low77.9Confident158 Ų15882 Ų8285%0.84542%0.424SS*.  trans-67.323.5171.5-85.5-25.2000110.8H350 L354H350-D352 VanDerWaalsContact C-N 3.29Å; H350-D352 PolarHBondContact O-N 3.04Å; D352-L354 VanDerWaalsContact C-N 3.26Å; D352-L354 PolarHBondContact O-N 3.45Å
353F51.1Low77.8Confident164 Ų16484.6 Ų84.672%0.71944%0.436SS*.  trans-69.494.9162.8-59.4-55.6000106.9D351 T355D351-F353 HydrophobicContact CB-CD2 3.56Å; D351-F353 HydrophobicContact CB-CE2 4.08Å; D351-F353 HydrophobicContact CB-CG 4.42Å; D351-F353 PolarHBondContact O-N 2.9Å; D351-F353 WeakPolarHBondContact OD1-CE2 3.21Å; F353-T355 PolarHBondContact O-N 2.95Å; F353-T355 VanDerWaalsContact O-N 3.1Å
354L59.2Low77.9Confident79 Ų7983.8 Ų83.841%0.41443%0.433SS..  trans-46.3123.6159.1-64.7170000106.7D352 Q358 A359 K362D352-L354 VanDerWaalsContact C-N 3.26Å; D352-L354 PolarHBondContact O-N 3.45Å; L354-Q358 HydrophobicContact CB-CB 3.81Å; L354-Q358 HydrophobicContact CD2-CB 3.78Å; L354-Q358 HydrophobicContact CG-CB 4.35Å; L354-A359 HydrophobicContact CB-CB 4.08Å; L354-K362 HydrophobicContact CD1-CB 4.46Å; L354-K362 HydrophobicContact CD1-CD 3.62Å
355T76.9Confident78Confident78 Ų7881.6 Ų81.648%0.47943%0.428SS..  trans-50.4154.7166.258.40000108.9F353 A357 Q358 A359F353-T355 PolarHBondContact O-N 2.95Å; F353-T355 VanDerWaalsContact O-N 3.1Å; T355-A357 PolarHBondContact O-N 3.49Å; T355-Q358 CarbonylContact O-C 3.6Å; T355-Q358 WeakPolarHBondContact O-CA 3.48Å; T355-Q358 PolarHBondContact O-N 3.13Å; T355-Q358 WeakPolarHBondContact OG1-CB 3.36Å; T355-Q358 VanDerWaalsContact OG1-CG 3.26Å; T355-Q358 WeakPolarHBondContact OG1-CG 3.39Å; T355-Q358 PolarHBondContact OG1-N 3.34Å; T355-Q358 PolarHBondContact OG1-OE1 3.32Å; T355-A359 PolarHBondContact O-N 3Å
356V79.2Confident78Confident115 Ų11580.9 Ų80.970%0.69742%0.422SS*.Hα-helixtrans-49.5-38.2177.5177.20000111.4A359 L360V356-A359 PolarHBondContact O-N 3.3Å; V356-L360 HydrophobicContact CG1-CD1 3.97Å; V356-L360 HydrophobicContact CG1-CG 4.4Å; V356-L360 WeakPolarHBondContact O-CB 3.43Å; V356-L360 VanDerWaalsContact O-CG 3.26Å; V356-L360 WeakPolarHBondContact O-CG 3.41Å; V356-L360 PolarHBondContact O-N 3.38Å
357A79.3Confident78Confident64 Ų6484.7 Ų84.753%0.52945%0.446SS..Hα-helixtrans-64.8-42.9175.300000113.4T355 K361T355-A357 PolarHBondContact O-N 3.49Å; A357-K361 VanDerWaalsContact O-CB 3.29Å; A357-K361 WeakPolarHBondContact O-CB 3.47Å; A357-K361 PolarHBondContact O-N 2.68Å
358Q81.1Confident78.1Confident98 Ų9891 Ų9146%0.45847%0.471SS..Hα-helixtrans-69.7-37176.7-73.3165.2-38.700112.2L354 T355 K361 K362L354-Q358 HydrophobicContact CB-CB 3.81Å; L354-Q358 HydrophobicContact CD2-CB 3.78Å; L354-Q358 HydrophobicContact CG-CB 4.35Å; T355-Q358 CarbonylContact O-C 3.6Å; T355-Q358 WeakPolarHBondContact O-CA 3.48Å; T355-Q358 PolarHBondContact O-N 3.13Å; T355-Q358 WeakPolarHBondContact OG1-CB 3.36Å; T355-Q358 VanDerWaalsContact OG1-CG 3.26Å; T355-Q358 WeakPolarHBondContact OG1-CG 3.39Å; T355-Q358 PolarHBondContact OG1-N 3.34Å; T355-Q358 PolarHBondContact OG1-OE1 3.32Å; Q358-K361 PolarHBondContact O-N 3.36Å; Q358-K362 WeakPolarHBondContact O-CB 3.48Å; Q358-K362 PolarHBondContact O-N 3.3Å
359A87.7Confident78.5Confident36 Ų3692 Ų9230%0.29848%0.48SS..Hα-helixtrans-64.4-49175.100000110.6L354 T355 V356 K361 K362 E363L354-A359 HydrophobicContact CB-CB 4.08Å; T355-A359 PolarHBondContact O-N 3Å; V356-A359 PolarHBondContact O-N 3.3Å; A359-K361 VanDerWaalsContact C-N 3.35Å; A359-K361 PolarHBondContact O-N 3.24Å; A359-K362 WeakPolarHBondContact O-CB 3.46Å; A359-K362 PolarHBondContact O-N 3.45Å; A359-K362 VanDerWaalsContact O-N 3.13Å; A359-E363 WeakPolarHBondContact O-CG 3.37Å; A359-E363 PolarHBondContact O-N 3.33Å
360L90.3Very high79.7Confident62 Ų6288.7 Ų88.733%0.32547%0.47SS..Hα-helixtrans-59.5-44.5174.2-72.7171.6000111.7V356 K362 E363 F364 V387 Y429V356-L360 HydrophobicContact CG1-CD1 3.97Å; V356-L360 HydrophobicContact CG1-CG 4.4Å; V356-L360 WeakPolarHBondContact O-CB 3.43Å; V356-L360 VanDerWaalsContact O-CG 3.26Å; V356-L360 WeakPolarHBondContact O-CG 3.41Å; V356-L360 PolarHBondContact O-N 3.38Å; L360-K362 PolarHBondContact O-N 3.21Å; L360-E363 PolarHBondContact O-N 2.98Å; L360-F364 PolarHBondContact O-N 2.9Å; L360-V387 HydrophobicContact CD2-CG2 3.96Å; L360-Y429 HydrophobicContact CB-CD1 4.3Å; L360-Y429 VanDerWaalsContact O-CD1 3.26Å; L360-Y429 WeakPolarHBondContact O-CD1 3.22Å
361K90.3Very high81.6Confident119 Ų11986.8 Ų86.852%0.51746%0.463SS..Hα-helixtrans-57.5-38.9175.8-179.5171.2-178.4178.10112.2A357 Q358 A359 T430A357-K361 VanDerWaalsContact O-CB 3.29Å; A357-K361 WeakPolarHBondContact O-CB 3.47Å; A357-K361 PolarHBondContact O-N 2.68Å; Q358-K361 PolarHBondContact O-N 3.36Å; A359-K361 VanDerWaalsContact C-N 3.35Å; A359-K361 PolarHBondContact O-N 3.24Å; K361-T430 HydrophobicContact CB-CG2 3.85Å; K361-T430 HydrophobicContact CD-CG2 4.23Å; K361-T430 HydrophobicContact CG-CG2 3.72Å
362K89.8Confident83.9Confident146 Ų14681.1 Ų81.164%0.63543%0.433SS*.Hα-helixtrans-69.8-35.2178.6-174-178.7174.7-172.20112.5L354 Q358 A359 L360 F364L354-K362 HydrophobicContact CD1-CB 4.46Å; L354-K362 HydrophobicContact CD1-CD 3.62Å; Q358-K362 WeakPolarHBondContact O-CB 3.48Å; Q358-K362 PolarHBondContact O-N 3.3Å; A359-K362 WeakPolarHBondContact O-CB 3.46Å; A359-K362 PolarHBondContact O-N 3.45Å; A359-K362 VanDerWaalsContact O-N 3.13Å; L360-K362 PolarHBondContact O-N 3.21Å; K362-F364 VanDerWaalsContact C-N 3.34Å
363E93.8Very high86.3Confident56 Ų5676.3 Ų76.326%0.26241%0.405SS..Hα-helixtrans-82.4-5.3-179-66.6-53140.400114.6A359 L360 D365 N366 T369 H384A359-E363 WeakPolarHBondContact O-CG 3.37Å; A359-E363 PolarHBondContact O-N 3.33Å; L360-E363 PolarHBondContact O-N 2.98Å; E363-D365 PolarHBondContact O-N 2.85Å; E363-N366 PolarHBondContact OE2-ND2 2.84Å; E363-T369 WeakPolarHBondContact OE2-CB 3.44Å; E363-T369 WeakPolarHBondContact OE2-CG2 3.42Å; E363-T369 PolarHBondContact OE2-OG1 2.91Å; E363-H384 PolarHBondContact O-CE1 3.16Å
364F95.6Very high88.4Confident20 Ų2068.6 Ų68.69%0.08837%0.371CS..THydrogen-bonded Turntrans-68.4132.2174.4177.5-111.1000111L360 K362 N366 I381 V383 R422 L425 Q426 Y429L360-F364 PolarHBondContact O-N 2.9Å; K362-F364 VanDerWaalsContact C-N 3.34Å; F364-N366 VanDerWaalsContact C-N 3.27Å; F364-N366 PolarHBondContact O-N 2.83Å; F364-I381 HydrophobicContact CE2-CG2 4.22Å; F364-I381 HydrophobicContact CZ-CG2 4.05Å; F364-V383 HydrophobicContact CD2-CG1 4.46Å; F364-V383 HydrophobicContact CE2-CG1 4.1Å; F364-R422 HydrophobicContact CE1-CG 4.24Å; F364-R422 HydrophobicContact CZ-CG 4.01Å; F364-L425 HydrophobicContact CE2-CB 3.73Å; F364-L425 HydrophobicContact CZ-CB 4.14Å; F364-Q426 HydrophobicContact CD1-CB 4.07Å; F364-Q426 HydrophobicContact CD1-CG 3.93Å; F364-Q426 HydrophobicContact CE1-CB 3.51Å; F364-Q426 HydrophobicContact CE1-CG 3.79Å; F364-Q426 HydrophobicContact CE2-CB 4.27Å; F364-Q426 HydrophobicContact CZ-CB 3.63Å; F364-Q426 HydrophobicContact CZ-CG 4.39Å; F364-Y429 HydrophobicContact CB-CD1 4.01Å; F364-Y429 HydrophobicContact CB-CE1 4.5Å; F364-Y429 HydrophobicContact CB-CG 4Å; F364-Y429 AromaticContact CD2-CD2 3.61Å; F364-Y429 HydrophobicContact CD2-CD2 3.61Å; F364-Y429 AromaticContact CD2-CE2 3.91Å; F364-Y429 HydrophobicContact CD2-CE2 3.91Å; F364-Y429 AromaticContact CD2-CG 3.94Å; F364-Y429 HydrophobicContact CD2-CG 3.94Å; F364-Y429 HydrophobicContact CE2-CD2 4.33Å; F364-Y429 HydrophobicContact CG-CD2 4.44Å; F364-Y429 HydrophobicContact CG-CG 4.33Å
365D95.1Very high90.1Very high41 Ų4165.8 Ų65.822%0.21936%0.357CS..THydrogen-bonded Turntrans66.424.5179.5-142.67.6000114E363 I381 Y382 R422E363-D365 PolarHBondContact O-N 2.85Å; D365-I381 WeakPolarHBondContact OD1-CA 3.49Å; D365-Y382 WeakPolarHBondContact CA-O 3.4Å; D365-Y382 PolarHBondContact N-O 3.23Å; D365-Y382 PolarHBondContact OD1-N 2.93Å; D365-R422 IonicContact OD2-CZ 3.64Å; D365-R422 IonicContact OD2-NE 3.25Å; D365-R422 PolarHBondContact OD2-NE 3.24Å; D365-R422 VanDerWaalsContact OD2-NE 3.12Å; D365-R422 IonicContact OD2-NH2 3.81Å; D365-R422 PolarHBondContact OD2-NH2 3.31Å
366N93.3Very high91Very high34 Ų3462.1 Ų62.118%0.18234%0.335CS..  trans-92115.8178.1-173.8-5.4000112E363 F364 E368 T369 A370E363-N366 PolarHBondContact OE2-ND2 2.84Å; F364-N366 VanDerWaalsContact C-N 3.27Å; F364-N366 PolarHBondContact O-N 2.83Å; N366-E368 VanDerWaalsContact C-N 3.31Å; N366-E368 PolarHBondContact O-N 3.11Å; N366-E368 PolarHBondContact OD1-N 3.45Å; N366-T369 WeakPolarHBondContact CB-OG1 3.35Å; N366-T369 PolarHBondContact ND2-OG1 2.96Å; N366-A370 WeakPolarHBondContact O-CB 3.37Å; N366-A370 PolarHBondContact O-N 3Å
367P93.1Very high91.5Very high81 Ų8161.8 Ų61.853%0.52633%0.329SS..THydrogen-bonded Turntrans-73.2-17.4-179.930.5-36.3000114.4Y382P367-Y382 HydrophobicContact CB-CD1 3.84Å; P367-Y382 HydrophobicContact CB-CD2 4.24Å; P367-Y382 HydrophobicContact CB-CE1 3.74Å; P367-Y382 HydrophobicContact CB-CE2 4.17Å; P367-Y382 HydrophobicContact CB-CG 4.08Å
368E92.1Very high92Very high176 Ų17661.8 Ų61.882%0.82234%0.336SS*.THydrogen-bonded Turntrans-79-29.5-178.2-63.2-174.3171.300112.7N366N366-E368 VanDerWaalsContact C-N 3.31Å; N366-E368 PolarHBondContact O-N 3.11Å; N366-E368 PolarHBondContact OD1-N 3.45Å
369T92Very high92.6Very high64 Ų6462.9 Ų62.939%0.39334%0.339SS..THydrogen-bonded Turntrans-111-19.4-171.653.40000113.7E363 N366 H384E363-T369 WeakPolarHBondContact OE2-CB 3.44Å; E363-T369 WeakPolarHBondContact OE2-CG2 3.42Å; E363-T369 PolarHBondContact OE2-OG1 2.91Å; N366-T369 WeakPolarHBondContact CB-OG1 3.35Å; N366-T369 PolarHBondContact ND2-OG1 2.96Å; T369-H384 VanDerWaalsContact C-NE2 3.34Å; T369-H384 WeakPolarHBondContact CB-NE2 3.43Å; T369-H384 PolarHBondContact O-CD2 2.81Å; T369-H384 PolarHBondContact O-NE2 2.88Å; T369-H384 PolarHBondContact OG1-CE1 3.16Å; T369-H384 PolarHBondContact OG1-NE2 2.86Å
370A92.4Very high93Very high29 Ų2966.2 Ų66.224%0.2434%0.344CS..  trans-67.2141.7-177.700000114N366 Y382 V383N366-A370 WeakPolarHBondContact O-CB 3.37Å; N366-A370 PolarHBondContact O-N 3Å; A370-Y382 HydrophobicContact CB-CD1 4.39Å; A370-V383 VanDerWaalsContact CB-O 3.29Å; A370-V383 WeakPolarHBondContact CB-O 3.39Å
371D92.1Very high93.2Very high78 Ų7863.2 Ų63.242%0.41733%0.329SS..SBendtrans-1083174.566.4-0.8000112.8V383 H384 K385D371-V383 PolarHBondContact N-O 2.84Å; D371-H384 WeakPolarHBondContact OD1-CA 3.4Å; D371-K385 WeakPolarHBondContact OD1-CG 3.48Å; D371-K385 PolarHBondContact OD1-N 3.48Å
372L93.7Very high93.5Very high5 Ų560.7 Ų60.73%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-153.6144.9179.9-179.765.4000110.9F374 V383 K385 L388 F399 I411L372-F374 HydrophobicContact CD2-CE2 3.79Å; L372-F374 HydrophobicContact CD2-CZ 4.12Å; L372-F374 HydrophobicContact CG-CE2 4.33Å; L372-V383 HydrophobicContact CB-CG2 4.15Å; L372-V383 HydrophobicContact CD2-CG2 4.16Å; L372-V383 HydrophobicContact CG-CG2 4.16Å; L372-V383 PolarHBondContact N-O 3.32Å; L372-V383 PolarHBondContact O-N 2.86Å; L372-K385 HydrophobicContact CB-CG 3.97Å; L372-K385 HydrophobicContact CD2-CG 4.04Å; L372-L388 HydrophobicContact CD2-CD1 3.9Å; L372-F399 HydrophobicContact CD2-CE1 4.33Å; L372-F399 HydrophobicContact CD2-CE2 4.38Å; L372-F399 HydrophobicContact CD2-CZ 3.6Å; L372-I411 HydrophobicContact CD1-CD1 3.83Å; L372-I411 HydrophobicContact CD1-CG1 4.08Å; L372-I411 HydrophobicContact CD2-CD1 4.02Å; L372-I411 HydrophobicContact CG-CD1 4.43Å
373K94.6Very high93.8Very high58 Ų5853.8 Ų53.825%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-130.9140.5169.458.2-173.9176.5-168.30112.4Y380 I381 Y382 E409 V410 I411K373-Y380 HydrophobicContact CD-CD1 3.99Å; K373-Y380 HydrophobicContact CD-CE1 4.4Å; K373-Y380 HydrophobicContact CD-CG 4.27Å; K373-Y380 HydrophobicContact CG-CD1 4.29Å; K373-I381 VanDerWaalsContact CA-O 3.27Å; K373-I381 WeakPolarHBondContact CA-O 3.33Å; K373-Y382 HydrophobicContact CB-CD1 4.12Å; K373-Y382 HydrophobicContact CB-CE1 4.39Å; K373-Y382 HydrophobicContact CD-CE1 4.07Å; K373-E409 VanDerWaalsContact CG-O 3.31Å; K373-E409 WeakPolarHBondContact CG-O 3.39Å; K373-E409 PolarHBondContact N-O 3.37Å; K373-V410 HydrophobicContact CD-CG2 4.22Å; K373-V410 HydrophobicContact CG-CB 4.47Å; K373-V410 HydrophobicContact CG-CG1 4.4Å; K373-V410 HydrophobicContact CG-CG2 3.98Å; K373-V410 WeakPolarHBondContact O-CA 3.39Å; K373-I411 PolarHBondContact O-N 3.42Å
374F95.3Very high93.9Very high1 Ų152.6 Ų52.60%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-97.2134.2170.5-73.8-89.7000109.9L372 V376 Y380 I381 V383 L388 F395 I411 I413 Y421 L425L372-F374 HydrophobicContact CD2-CE2 3.79Å; L372-F374 HydrophobicContact CD2-CZ 4.12Å; L372-F374 HydrophobicContact CG-CE2 4.33Å; F374-V376 HydrophobicContact CB-CG2 4.37Å; F374-Y380 CarbonylContact O-C 3.32Å; F374-Y380 VanDerWaalsContact O-CA 3.27Å; F374-Y380 WeakPolarHBondContact O-CA 3.2Å; F374-I381 PolarHBondContact N-O 3.04Å; F374-I381 PolarHBondContact O-N 3.46Å; F374-V383 HydrophobicContact CD2-CG2 3.72Å; F374-V383 HydrophobicContact CE2-CG2 3.72Å; F374-L388 HydrophobicContact CE2-CD1 3.89Å; F374-L388 HydrophobicContact CZ-CD1 4.35Å; F374-F395 HydrophobicContact CE1-CE1 4.12Å; F374-F395 HydrophobicContact CE1-CZ 4.35Å; F374-F395 HydrophobicContact CE2-CZ 4.39Å; F374-F395 HydrophobicContact CZ-CD1 4.47Å; F374-F395 AromaticContact CZ-CE1 3.55Å; F374-F395 HydrophobicContact CZ-CE1 3.55Å; F374-F395 AromaticContact CZ-CZ 3.74Å; F374-F395 HydrophobicContact CZ-CZ 3.74Å; F374-I411 CarbonylContact C-O 3.48Å; F374-I411 VanDerWaalsContact CA-O 3.32Å; F374-I411 WeakPolarHBondContact CA-O 3.34Å; F374-I411 HydrophobicContact CD1-CB 3.69Å; F374-I411 HydrophobicContact CD1-CG2 3.79Å; F374-I411 HydrophobicContact CE1-CB 3.68Å; F374-I411 HydrophobicContact CE1-CD1 3.78Å; F374-I411 HydrophobicContact CE1-CG1 4.33Å; F374-I411 HydrophobicContact CE1-CG2 3.59Å; F374-I411 HydrophobicContact CZ-CB 4.49Å; F374-I411 HydrophobicContact CZ-CD1 3.84Å; F374-I413 HydrophobicContact CD1-CD1 4.13Å; F374-I413 HydrophobicContact CD1-CG1 3.77Å; F374-I413 HydrophobicContact CE1-CD1 4.29Å; F374-I413 HydrophobicContact CE1-CG1 4.41Å; F374-Y421 HydrophobicContact CB-CE1 4.28Å; F374-Y421 AromaticContact CD1-CE1 3.64Å; F374-Y421 HydrophobicContact CD1-CE1 3.64Å; F374-Y421 HydrophobicContact CD2-CE1 4.4Å; F374-Y421 HydrophobicContact CE1-CE1 4Å; F374-Y421 WeakPolarHBondContact CE1-OH 3.45Å; F374-Y421 AromaticContact CG-CE1 3.85Å; F374-Y421 HydrophobicContact CG-CE1 3.85Å; F374-L425 HydrophobicContact CB-CD1 4.43Å; F374-L425 HydrophobicContact CD2-CD1 3.78Å; F374-L425 HydrophobicContact CD2-CD2 4.4Å; F374-L425 HydrophobicContact CE2-CD1 4.37Å; F374-L425 HydrophobicContact CE2-CD2 4.17Å; F374-L425 HydrophobicContact CG-CD1 4.24Å
375C94.9Very high93.7Very high20 Ų2053.2 Ų53.214%0.13528%0.284CS..EExtended strand (participates in β ladder)trans-100.1115.5171.5-169.60000108.8K379 Y380 V410 I411 E412 I413C375-K379 CarbonylContact C-O 3.46Å; C375-K379 WeakPolarHBondContact CA-O 3.14Å; C375-Y380 HydrophobicContact CB-CD1 4Å; C375-Y380 HydrophobicContact CB-CE1 3.76Å; C375-V410 HydrophobicContact CB-CG1 4.13Å; C375-I411 PolarHBondContact N-O 2.59Å; C375-E412 HydrophobicContact CB-CG 4.23Å; C375-I413 PolarHBondContact O-N 2.76Å
376V94.9Very high93.5Very high1 Ų154.1 Ų54.11%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-132.7125179.4-164.80000108.3F374 G378 K379 I381 I413 F416 Y418 Y421F374-V376 HydrophobicContact CB-CG2 4.37Å; V376-G378 PolarHBondContact O-N 2.89Å; V376-G378 VanDerWaalsContact O-N 3.13Å; V376-K379 PolarHBondContact N-O 3.41Å; V376-K379 PolarHBondContact O-N 2.95Å; V376-I381 HydrophobicContact CG2-CD1 4.1Å; V376-I413 HydrophobicContact CG2-CB 3.99Å; V376-I413 HydrophobicContact CG2-CG1 4.37Å; V376-F416 WeakPolarHBondContact CG1-O 3.27Å; V376-Y418 HydrophobicContact CB-CD2 4.19Å; V376-Y421 HydrophobicContact CG2-CD1 3.95Å; V376-Y421 HydrophobicContact CG2-CG 4.2Å
377D90.7Very high93.5Very high108 Ų10853.4 Ų53.458%0.57829%0.294SS*.THydrogen-bonded Turntrans50.634.9-174.7-59.3-38.4000113.6K379 Y418D377-K379 VanDerWaalsContact C-N 3.26Å; D377-K379 PolarHBondContact O-N 3.24Å; D377-Y418 PolarHBondContact OD2-N 3.08Å
378G88.4Confident93.5Very high65 Ų6549.6 Ų49.667%0.6727%0.269SS*.THydrogen-bonded Turntrans73.79-177.700000115.4V376V376-G378 PolarHBondContact O-N 2.89Å; V376-G378 VanDerWaalsContact O-N 3.13Å
379K94Very high93.5Very high120 Ų12044.4 Ų44.452%0.52224%0.243SC..EExtended strand (participates in β ladder)trans-109.1147.6175-64.2176.6-177174.50110.8C375 V376 D377 Y418C375-K379 CarbonylContact C-O 3.46Å; C375-K379 WeakPolarHBondContact CA-O 3.14Å; V376-K379 PolarHBondContact N-O 3.41Å; V376-K379 PolarHBondContact O-N 2.95Å; D377-K379 VanDerWaalsContact C-N 3.26Å; D377-K379 PolarHBondContact O-N 3.24Å; K379-Y418 HydrophobicContact CB-CD2 3.49Å; K379-Y418 VanDerWaalsContact CB-CD2 3.49Å; K379-Y418 HydrophobicContact CB-CE2 3.36Å; K379-Y418 HydrophobicContact CB-CG 4.38Å; K379-Y418 HydrophobicContact CD-CD1 4.13Å; K379-Y418 HydrophobicContact CD-CD2 3.86Å; K379-Y418 HydrophobicContact CD-CE1 4.23Å; K379-Y418 HydrophobicContact CD-CE2 3.96Å; K379-Y418 HydrophobicContact CD-CG 3.94Å; K379-Y418 HydrophobicContact CG-CD2 4.29Å; K379-Y418 HydrophobicContact CG-CE2 4.32Å
380Y95.7Very high93.3Very high106 Ų10647.1 Ų47.142%0.41625%0.254SS..EExtended strand (participates in β ladder)trans-97.7140.6178.5-63.5-62.6000112.3K373 F374 C375 V410K373-Y380 HydrophobicContact CD-CD1 3.99Å; K373-Y380 HydrophobicContact CD-CE1 4.4Å; K373-Y380 HydrophobicContact CD-CG 4.27Å; K373-Y380 HydrophobicContact CG-CD1 4.29Å; F374-Y380 CarbonylContact O-C 3.32Å; F374-Y380 VanDerWaalsContact O-CA 3.27Å; F374-Y380 WeakPolarHBondContact O-CA 3.2Å; C375-Y380 HydrophobicContact CB-CD1 4Å; C375-Y380 HydrophobicContact CB-CE1 3.76Å; Y380-V410 HydrophobicContact CE1-CG1 4.06Å
381I96.5Very high93.3Very high0 Ų050.6 Ų50.60%026%0.261CS..EExtended strand (participates in β ladder)trans-121.1120.7170.5-51.9165000107.9F364 D365 K373 F374 V376 V383 Y418 R422 L425F364-I381 HydrophobicContact CE2-CG2 4.22Å; F364-I381 HydrophobicContact CZ-CG2 4.05Å; D365-I381 WeakPolarHBondContact OD1-CA 3.49Å; K373-I381 VanDerWaalsContact CA-O 3.27Å; K373-I381 WeakPolarHBondContact CA-O 3.33Å; F374-I381 PolarHBondContact N-O 3.04Å; F374-I381 PolarHBondContact O-N 3.46Å; V376-I381 HydrophobicContact CG2-CD1 4.1Å; I381-V383 HydrophobicContact CG2-CG1 4.27Å; I381-Y418 HydrophobicContact CD1-CD2 4.09Å; I381-Y418 HydrophobicContact CD1-CE2 3.81Å; I381-Y418 HydrophobicContact CG1-CD2 4.17Å; I381-Y418 HydrophobicContact CG1-CE2 3.43Å; I381-Y418 VanDerWaalsContact CG1-CE2 3.43Å; I381-R422 HydrophobicContact CD1-CB 3.68Å; I381-R422 HydrophobicContact CD1-CG 4.18Å; I381-R422 HydrophobicContact CG1-CB 4.43Å; I381-R422 HydrophobicContact CG1-CG 4.45Å; I381-R422 HydrophobicContact CG2-CG 4.4Å; I381-L425 HydrophobicContact CB-CD1 4.2Å; I381-L425 HydrophobicContact CD1-CD1 4.18Å; I381-L425 HydrophobicContact CG2-CD1 3.81Å
382Y96.4Very high93.3Very high66 Ų6646.9 Ų46.926%0.25924%0.242SC..EExtended strand (participates in β ladder)trans-93.5127-173.3-61.1-92.5000111.5D365 P367 A370 K373D365-Y382 WeakPolarHBondContact CA-O 3.4Å; D365-Y382 PolarHBondContact N-O 3.23Å; D365-Y382 PolarHBondContact OD1-N 2.93Å; P367-Y382 HydrophobicContact CB-CD1 3.84Å; P367-Y382 HydrophobicContact CB-CD2 4.24Å; P367-Y382 HydrophobicContact CB-CE1 3.74Å; P367-Y382 HydrophobicContact CB-CE2 4.17Å; P367-Y382 HydrophobicContact CB-CG 4.08Å; A370-Y382 HydrophobicContact CB-CD1 4.39Å; K373-Y382 HydrophobicContact CB-CD1 4.12Å; K373-Y382 HydrophobicContact CB-CE1 4.39Å; K373-Y382 HydrophobicContact CD-CE1 4.07Å
383V96.1Very high93Very high0 Ų052.9 Ų52.90%027%0.27CS..EExtended strand (participates in β ladder)trans-145.9172.1-171.7-65.40000112.3F364 A370 D371 L372 F374 I381 L388 L425 Y429F364-V383 HydrophobicContact CD2-CG1 4.46Å; F364-V383 HydrophobicContact CE2-CG1 4.1Å; A370-V383 VanDerWaalsContact CB-O 3.29Å; A370-V383 WeakPolarHBondContact CB-O 3.39Å; D371-V383 PolarHBondContact N-O 2.84Å; L372-V383 HydrophobicContact CB-CG2 4.15Å; L372-V383 HydrophobicContact CD2-CG2 4.16Å; L372-V383 HydrophobicContact CG-CG2 4.16Å; L372-V383 PolarHBondContact N-O 3.32Å; L372-V383 PolarHBondContact O-N 2.86Å; F374-V383 HydrophobicContact CD2-CG2 3.72Å; F374-V383 HydrophobicContact CE2-CG2 3.72Å; I381-V383 HydrophobicContact CG2-CG1 4.27Å; V383-L388 HydrophobicContact CG2-CD1 3.96Å; V383-L425 HydrophobicContact CG1-CB 4.31Å; V383-L425 HydrophobicContact CG1-CD1 4.04Å; V383-Y429 HydrophobicContact CB-CE2 4.45Å; V383-Y429 HydrophobicContact CG1-CE2 4.29Å
384H94.6Very high92.8Very high32 Ų3253.7 Ų53.715%0.14827%0.274CS..  trans-119.5119.9-174.5-56.869.7000110.3E363 T369 D371 A386 V387 L388 Y429E363-H384 PolarHBondContact O-CE1 3.16Å; T369-H384 VanDerWaalsContact C-NE2 3.34Å; T369-H384 WeakPolarHBondContact CB-NE2 3.43Å; T369-H384 PolarHBondContact O-CD2 2.81Å; T369-H384 PolarHBondContact O-NE2 2.88Å; T369-H384 PolarHBondContact OG1-CE1 3.16Å; T369-H384 PolarHBondContact OG1-NE2 2.86Å; D371-H384 WeakPolarHBondContact OD1-CA 3.4Å; H384-A386 PolarHBondContact O-N 3.39Å; H384-A386 VanDerWaalsContact O-N 3.14Å; H384-V387 HydrophobicContact CB-CG2 4.13Å; H384-V387 PolarHBondContact O-N 2.88Å; H384-L388 PolarHBondContact O-N 2.55Å; H384-Y429 WeakPolarHBondContact CB-OH 3.33Å; H384-Y429 PolarHBondContact N-OH 3.28Å; H384-Y429 AromaticContact ND1-CZ 3.87Å; H384-Y429 PolarHBondContact ND1-OH 3.48Å
385K91.6Very high92.5Very high32 Ų3253.7 Ų53.714%0.13927%0.274CS..Hα-helixtrans-53.1-38.2-178.9-70177-177.1-177.80111.9D371 L372 V387 L388 K389 D406D371-K385 WeakPolarHBondContact OD1-CG 3.48Å; D371-K385 PolarHBondContact OD1-N 3.48Å; L372-K385 HydrophobicContact CB-CG 3.97Å; L372-K385 HydrophobicContact CD2-CG 4.04Å; K385-V387 PolarHBondContact O-N 2.96Å; K385-L388 PolarHBondContact O-N 3.27Å; K385-K389 WeakPolarHBondContact O-CB 3.34Å; K385-K389 VanDerWaalsContact O-CG 3.27Å; K385-K389 WeakPolarHBondContact O-CG 3.24Å; K385-K389 PolarHBondContact O-N 2.9Å; K385-D406 PolarHBondContact NZ-O 3.32Å
386A91.4Very high92.2Very high60 Ų6056.9 Ų56.950%0.49628%0.283SS..Hα-helixtrans-58.8-46.8177.900000112.5H384 K389 I390H384-A386 PolarHBondContact O-N 3.39Å; H384-A386 VanDerWaalsContact O-N 3.14Å; A386-K389 PolarHBondContact O-N 3.02Å; A386-I390 WeakPolarHBondContact O-CD1 3.22Å; A386-I390 VanDerWaalsContact O-CG1 3.22Å; A386-I390 WeakPolarHBondContact O-CG1 3.5Å; A386-I390 PolarHBondContact O-N 3.14Å; A386-I390 VanDerWaalsContact O-N 3.09Å
387V93.7Very high91.8Very high20 Ų2059.9 Ų59.912%0.12130%0.304CS..Hα-helixtrans-64.7-45.3179.1179.90000109.9L360 H384 K385 I390 R391 Y429L360-V387 HydrophobicContact CD2-CG2 3.96Å; H384-V387 HydrophobicContact CB-CG2 4.13Å; H384-V387 PolarHBondContact O-N 2.88Å; K385-V387 PolarHBondContact O-N 2.96Å; V387-I390 PolarHBondContact O-N 2.81Å; V387-R391 HydrophobicContact CG1-CG 4.05Å; V387-R391 VanDerWaalsContact O-CB 3.28Å; V387-R391 WeakPolarHBondContact O-CB 3.3Å; V387-R391 WeakPolarHBondContact O-CG 3.27Å; V387-R391 PolarHBondContact O-N 3.49Å; V387-Y429 HydrophobicContact CB-CE1 4.26Å; V387-Y429 HydrophobicContact CB-CE2 4.17Å; V387-Y429 HydrophobicContact CG1-CD1 4.24Å; V387-Y429 HydrophobicContact CG1-CD2 3.98Å; V387-Y429 HydrophobicContact CG1-CE1 4.1Å; V387-Y429 HydrophobicContact CG1-CE2 3.8Å; V387-Y429 HydrophobicContact CG1-CG 4.21Å; V387-Y429 HydrophobicContact CG2-CE1 3.92Å
388L93.4Very high91.5Very high0 Ų056.3 Ų56.30%028%0.284CS..Hα-helixtrans-61.1-47.6178.6-58.2-177.3000112.3L372 F374 V383 H384 K385 I390 R391 C392 F395 F399 L425 L428L372-L388 HydrophobicContact CD2-CD1 3.9Å; F374-L388 HydrophobicContact CE2-CD1 3.89Å; F374-L388 HydrophobicContact CZ-CD1 4.35Å; V383-L388 HydrophobicContact CG2-CD1 3.96Å; H384-L388 PolarHBondContact O-N 2.55Å; K385-L388 PolarHBondContact O-N 3.27Å; L388-I390 PolarHBondContact O-N 3.14Å; L388-R391 PolarHBondContact O-N 2.99Å; L388-C392 PolarHBondContact O-N 3.48Å; L388-F395 HydrophobicContact CB-CB 3.85Å; L388-F395 HydrophobicContact CB-CD2 3.77Å; L388-F395 HydrophobicContact CB-CG 3.95Å; L388-F395 HydrophobicContact CD1-CD2 4.19Å; L388-F395 HydrophobicContact CD1-CE2 4.3Å; L388-F395 HydrophobicContact CD1-CG 4.34Å; L388-F395 HydrophobicContact CD2-CD2 3.94Å; L388-F395 HydrophobicContact CD2-CE2 3.95Å; L388-F395 HydrophobicContact CG-CD2 4.17Å; L388-F395 HydrophobicContact CG-CE2 4.49Å; L388-F399 HydrophobicContact CB-CE2 4.4Å; L388-F399 HydrophobicContact CD1-CE2 4.27Å; L388-L425 HydrophobicContact CD2-CD2 3.89Å; L388-L428 HydrophobicContact CD2-CD1 3.53Å
389K90.5Very high91.3Very high67 Ų6753.4 Ų53.429%0.29125%0.254SS..Hα-helixtrans-60.4-31.3176.7-75.6174174.31780112.6K385 A386 R396 F399 D406K385-K389 WeakPolarHBondContact O-CB 3.34Å; K385-K389 VanDerWaalsContact O-CG 3.27Å; K385-K389 WeakPolarHBondContact O-CG 3.24Å; K385-K389 PolarHBondContact O-N 2.9Å; A386-K389 PolarHBondContact O-N 3.02Å; K389-R396 PolarHBondContact O-NE 3.32Å; K389-R396 PolarHBondContact O-NH2 2.76Å; K389-F399 HydrophobicContact CD-CB 4.23Å; K389-F399 HydrophobicContact CG-CB 4.2Å; K389-F399 HydrophobicContact CG-CD2 3.91Å; K389-D406 IonicContact NZ-OD1 3.68Å
390I88.9Confident90.2Very high121 Ų12154.5 Ų54.562%0.62126%0.261SS*.Hα-helixtrans-81-39.5178.6-69.4166.6000110.8A386 V387 L388 R396A386-I390 WeakPolarHBondContact O-CD1 3.22Å; A386-I390 VanDerWaalsContact O-CG1 3.22Å; A386-I390 WeakPolarHBondContact O-CG1 3.5Å; A386-I390 PolarHBondContact O-N 3.14Å; A386-I390 VanDerWaalsContact O-N 3.09Å; V387-I390 PolarHBondContact O-N 2.81Å; L388-I390 PolarHBondContact O-N 3.14Å; I390-R396 VanDerWaalsContact C-NH2 3.3Å; I390-R396 PolarHBondContact O-NH2 3.04Å
391R91.9Very high88.4Confident102 Ų10251.6 Ų51.639%0.38526%0.255SS..Hα-helixtrans-98.9-16.4-165.2-60.3-66.8-67.1176.1-3.6114.7V387 L388 L428 D431V387-R391 HydrophobicContact CG1-CG 4.05Å; V387-R391 VanDerWaalsContact O-CB 3.28Å; V387-R391 WeakPolarHBondContact O-CB 3.3Å; V387-R391 WeakPolarHBondContact O-CG 3.27Å; V387-R391 PolarHBondContact O-N 3.49Å; L388-R391 PolarHBondContact O-N 2.99Å; R391-L428 HydrophobicContact CB-CB 4.13Å; R391-L428 HydrophobicContact CB-CD2 4.05Å; R391-L428 WeakPolarHBondContact CG-O 3.39Å; R391-L428 PolarHBondContact NE-O 2.9Å; R391-D431 IonicContact CZ-OD1 3.1Å; R391-D431 IonicContact NH2-OD1 3.75Å; R391-D431 PolarHBondContact NH2-OD1 3.31Å; R391-D431 IonicContact NH2-OD2 2.78Å; R391-D431 PolarHBondContact NH2-OD2 3.33Å
392C91.4Very high86.3Confident1 Ų161.3 Ų61.31%0.00730%0.3CS..  trans-137.9129.1-178.4-175.70000112.1L388 F395 R396 L428 E452L388-C392 PolarHBondContact O-N 3.48Å; C392-F395 HydrophobicContact CB-CB 4.36Å; C392-F395 HydrophobicContact CB-CD2 3.74Å; C392-F395 HydrophobicContact CB-CG 4.46Å; C392-R396 WeakPolarHBondContact O-CB 3.34Å; C392-R396 PolarHBondContact O-N 3.38Å; C392-L428 HydrophobicContact CB-CD1 4.05Å; C392-L428 HydrophobicContact CB-CD2 4.05Å; C392-E452 WeakPolarHBondContact CA-OE1 3.46Å; C392-E452 PolarHBondContact SG-OE1 2.94Å
393E87.9Confident84.3Confident131 Ų13166.1 Ų66.161%0.61232%0.318SS*.Hα-helixtrans-70.2-34.5-178.4-172.2169.6-16900112.8R396 S397E393-R396 PolarHBondContact O-N 2.9Å; E393-S397 PolarHBondContact O-N 2.83Å; E393-S397 PolarHBondContact O-OG 2.81Å
394H89.9Confident82.4Confident74 Ų7472.9 Ų72.934%0.34335%0.354SS..Hα-helixtrans-57.3-53174.2178.975.8000110.9R396 S397 M398 Y450H394-R396 PolarHBondContact O-N 3.4Å; H394-S397 PolarHBondContact O-N 2.71Å; H394-M398 WeakPolarHBondContact O-CB 3.48Å; H394-M398 PolarHBondContact O-N 3.03Å; H394-Y450 HydrophobicContact CB-CD1 4.17Å; H394-Y450 HydrophobicContact CB-CG 4.16Å; H394-Y450 AromaticContact CD2-CD1 3.79Å; H394-Y450 AromaticContact CD2-CE1 3.59Å; H394-Y450 AromaticContact CD2-CZ 3.84Å; H394-Y450 AromaticContact CE1-CE1 3.77Å; H394-Y450 AromaticContact CG-CD1 3.68Å; H394-Y450 AromaticContact CG-CE1 3.93Å; H394-Y450 AromaticContact ND1-CD1 3.86Å; H394-Y450 AromaticContact NE2-CE1 3.5Å; H394-Y450 WeakPolarHBondContact NE2-CE1 3.25Å; H394-Y450 AromaticContact NE2-CZ 3.88Å
395F90.6Very high80.8Confident1 Ų173.6 Ų73.60%0.00436%0.358CS..Hα-helixtrans-66.7-36.1177.7-69.9-48.3000113F374 L388 C392 S397 M398 F399 F424 L425 L428F374-F395 HydrophobicContact CE1-CE1 4.12Å; F374-F395 HydrophobicContact CE1-CZ 4.35Å; F374-F395 HydrophobicContact CE2-CZ 4.39Å; F374-F395 HydrophobicContact CZ-CD1 4.47Å; F374-F395 AromaticContact CZ-CE1 3.55Å; F374-F395 HydrophobicContact CZ-CE1 3.55Å; F374-F395 AromaticContact CZ-CZ 3.74Å; F374-F395 HydrophobicContact CZ-CZ 3.74Å; L388-F395 HydrophobicContact CB-CB 3.85Å; L388-F395 HydrophobicContact CB-CD2 3.77Å; L388-F395 HydrophobicContact CB-CG 3.95Å; L388-F395 HydrophobicContact CD1-CD2 4.19Å; L388-F395 HydrophobicContact CD1-CE2 4.3Å; L388-F395 HydrophobicContact CD1-CG 4.34Å; L388-F395 HydrophobicContact CD2-CD2 3.94Å; L388-F395 HydrophobicContact CD2-CE2 3.95Å; L388-F395 HydrophobicContact CG-CD2 4.17Å; L388-F395 HydrophobicContact CG-CE2 4.49Å; C392-F395 HydrophobicContact CB-CB 4.36Å; C392-F395 HydrophobicContact CB-CD2 3.74Å; C392-F395 HydrophobicContact CB-CG 4.46Å; F395-S397 VanDerWaalsContact C-N 3.28Å; F395-S397 PolarHBondContact O-N 3.2Å; F395-M398 HydrophobicContact CD1-SD 3.8Å; F395-M398 HydrophobicContact CE1-SD 4.18Å; F395-M398 PolarHBondContact O-N 2.92Å; F395-F399 HydrophobicContact CB-CD2 4.14Å; F395-F399 HydrophobicContact CB-CE2 3.92Å; F395-F399 HydrophobicContact CD1-CE2 4.08Å; F395-F399 HydrophobicContact CD1-CZ 4.46Å; F395-F399 HydrophobicContact CG-CE2 4.27Å; F395-F399 WeakPolarHBondContact O-CD2 3.38Å; F395-F399 WeakPolarHBondContact O-CG 3.25Å; F395-F399 PolarHBondContact O-N 3.22Å; F395-F424 AromaticContact CE2-CE1 3.53Å; F395-F424 HydrophobicContact CE2-CE1 3.53Å; F395-F424 HydrophobicContact CE2-CZ 4.06Å; F395-F424 AromaticContact CZ-CE1 3.94Å; F395-F424 HydrophobicContact CZ-CE1 3.94Å; F395-L425 HydrophobicContact CE2-CD2 4Å; F395-L425 HydrophobicContact CZ-CD2 4.14Å; F395-L428 HydrophobicContact CD2-CD1 4.07Å; F395-L428 HydrophobicContact CE2-CD1 3.92Å
396R87.9Confident79.3Confident87 Ų8775 Ų7533%0.32837%0.367SS..Hα-helixtrans-56.7-45.4173.4-175.8179.1-64.81253.3111.3K389 I390 C392 E393 H394 Q400K389-R396 PolarHBondContact O-NE 3.32Å; K389-R396 PolarHBondContact O-NH2 2.76Å; I390-R396 VanDerWaalsContact C-NH2 3.3Å; I390-R396 PolarHBondContact O-NH2 3.04Å; C392-R396 WeakPolarHBondContact O-CB 3.34Å; C392-R396 PolarHBondContact O-N 3.38Å; E393-R396 PolarHBondContact O-N 2.9Å; H394-R396 PolarHBondContact O-N 3.4Å; R396-Q400 HydrophobicContact CG-CG 4.48Å; R396-Q400 VanDerWaalsContact O-CB 3.31Å; R396-Q400 WeakPolarHBondContact O-CB 3.41Å; R396-Q400 WeakPolarHBondContact O-CG 3.29Å; R396-Q400 PolarHBondContact O-N 3Å
397S86.8Confident78Confident65 Ų6580.1 Ų80.146%0.45538%0.382SS..Hα-helixtrans-70.1-42.8179.4-56.70000112E393 H394 F395 F399 Q400 S401E393-S397 PolarHBondContact O-N 2.83Å; E393-S397 PolarHBondContact O-OG 2.81Å; H394-S397 PolarHBondContact O-N 2.71Å; F395-S397 VanDerWaalsContact C-N 3.28Å; F395-S397 PolarHBondContact O-N 3.2Å; S397-F399 VanDerWaalsContact C-N 3.25Å; S397-F399 PolarHBondContact O-N 3.23Å; S397-Q400 PolarHBondContact O-N 3.07Å; S397-S401 PolarHBondContact O-OG 3.38Å
398M84.1Confident76.9Confident32 Ų3283.8 Ų83.816%0.15840%0.397CS..Hα-helixtrans-54.3-41.7176.7-172.9-174.7-164.100111.8H394 F395 E405 I411H394-M398 WeakPolarHBondContact O-CB 3.48Å; H394-M398 PolarHBondContact O-N 3.03Å; F395-M398 HydrophobicContact CD1-SD 3.8Å; F395-M398 HydrophobicContact CE1-SD 4.18Å; F395-M398 PolarHBondContact O-N 2.92Å; M398-E405 HydrophobicContact CE-CB 4.47Å; M398-E405 WeakPolarHBondContact CE-OE2 3.19Å; M398-I411 HydrophobicContact CE-CD1 3.79Å; M398-I411 HydrophobicContact CE-CG2 4.33Å; M398-I411 HydrophobicContact SD-CD1 4.43Å
399F83.3Confident76.1Confident5 Ų590.7 Ų90.72%0.02243%0.429CS..THydrogen-bonded Turntrans-101.98.3-175.1-57.7-56.1000115.3L372 L388 K389 F395 S397 I411L372-F399 HydrophobicContact CD2-CE1 4.33Å; L372-F399 HydrophobicContact CD2-CE2 4.38Å; L372-F399 HydrophobicContact CD2-CZ 3.6Å; L388-F399 HydrophobicContact CB-CE2 4.4Å; L388-F399 HydrophobicContact CD1-CE2 4.27Å; K389-F399 HydrophobicContact CD-CB 4.23Å; K389-F399 HydrophobicContact CG-CB 4.2Å; K389-F399 HydrophobicContact CG-CD2 3.91Å; F395-F399 HydrophobicContact CB-CD2 4.14Å; F395-F399 HydrophobicContact CB-CE2 3.92Å; F395-F399 HydrophobicContact CD1-CE2 4.08Å; F395-F399 HydrophobicContact CD1-CZ 4.46Å; F395-F399 HydrophobicContact CG-CE2 4.27Å; F395-F399 WeakPolarHBondContact O-CD2 3.38Å; F395-F399 WeakPolarHBondContact O-CG 3.25Å; F395-F399 PolarHBondContact O-N 3.22Å; S397-F399 VanDerWaalsContact C-N 3.25Å; S397-F399 PolarHBondContact O-N 3.23Å; F399-I411 HydrophobicContact CE1-CD1 4.23Å; F399-I411 HydrophobicContact CZ-CD1 4.17Å
400Q72.7Confident76Confident143 Ų14389.8 Ų89.867%0.66843%0.429SS*.THydrogen-bonded Turntrans-98.1-18.6174.7-88.7179.4-200113.2R396 S397R396-Q400 HydrophobicContact CG-CG 4.48Å; R396-Q400 VanDerWaalsContact O-CB 3.31Å; R396-Q400 WeakPolarHBondContact O-CB 3.41Å; R396-Q400 WeakPolarHBondContact O-CG 3.29Å; R396-Q400 PolarHBondContact O-N 3Å; S397-Q400 PolarHBondContact O-N 3.07Å
401S57.6Low76.1Confident44 Ų4484.4 Ų84.431%0.30840%0.402SS..SBendtrans-97.1159.6-172.154.80000111.2S397 W403S397-S401 PolarHBondContact O-OG 3.38Å; S401-W403 VanDerWaalsContact CB-CD1 3.46Å; S401-W403 PolarHBondContact O-N 2.84Å
402H52.5Low76Confident204 Ų20486.5 Ų86.594%0.94442%0.416SS*.SBendtrans-67.645.3174.8-68-8.6000112.8
403W54.2Low76.1Confident168 Ų16887.4 Ų87.464%0.63642%0.42SS*.  trans-91.1140.5178.7-80.858.1000109.6S401 E405 D406S401-W403 VanDerWaalsContact CB-CD1 3.46Å; S401-W403 PolarHBondContact O-N 2.84Å; W403-E405 PolarHBondContact O-N 2.88Å; W403-D406 PolarHBondContact O-N 2.94Å
404N56.7Low76.1Confident141 Ų14188 Ų8875%0.75443%0.427SS*.THydrogen-bonded Turntrans-58.8-11178-81.4-17.1000113.8
405E59.6Low76Confident47 Ų4792.4 Ų92.422%0.2245%0.448CS..THydrogen-bonded Turntrans-80.3-21.2-177.9-60.7-168.7147.200113.8M398 W403 M407 K408M398-E405 HydrophobicContact CE-CB 4.47Å; M398-E405 WeakPolarHBondContact CE-OE2 3.19Å; W403-E405 PolarHBondContact O-N 2.88Å; E405-M407 PolarHBondContact O-N 2.66Å; E405-K408 HydrophobicContact CG-CD 4.21Å; E405-K408 PolarHBondContact O-N 2.79Å; E405-K408 IonicContact OE1-NZ 3.12Å
406D61.1Low75.9Confident61 Ų6193.3 Ų93.333%0.32645%0.452SS..THydrogen-bonded Turntrans-63.7-25.9173.4-158.634.5000111.2K385 K389 W403K385-D406 PolarHBondContact NZ-O 3.32Å; K389-D406 IonicContact NZ-OD1 3.68Å; W403-D406 PolarHBondContact O-N 2.94Å
407M63.3Low76.1Confident168 Ų16891.5 Ų91.583%0.82845%0.453SS*.THydrogen-bonded Turntrans-89.6-7176.3-58.7-65.8-84.700113.8E405E405-M407 PolarHBondContact O-N 2.66Å
408K69.9Low76.3Confident97 Ų9790.7 Ų90.742%0.42244%0.44SS..  trans-83.9130.4179.1-72.3-175.6-174.6173.50110.3E405 V410E405-K408 HydrophobicContact CG-CD 4.21Å; E405-K408 PolarHBondContact O-N 2.79Å; E405-K408 IonicContact OE1-NZ 3.12Å; K408-V410 VanDerWaalsContact C-N 3.33Å
409E77.5Confident76.7Confident145 Ų14591.1 Ų91.168%0.67845%0.449SS*.SBendtrans-80.5-18.6168.1-67.5-179.2177.800111.8K373K373-E409 VanDerWaalsContact CG-O 3.31Å; K373-E409 WeakPolarHBondContact CG-O 3.39Å; K373-E409 PolarHBondContact N-O 3.37Å
410V88.8Confident77.2Confident48 Ų4891.1 Ų91.129%0.29145%0.449SS..EExtended strand (participates in β ladder)trans-129.2128.9-176.9-165.40000111.1K373 C375 Y380 K408K373-V410 HydrophobicContact CD-CG2 4.22Å; K373-V410 HydrophobicContact CG-CB 4.47Å; K373-V410 HydrophobicContact CG-CG1 4.4Å; K373-V410 HydrophobicContact CG-CG2 3.98Å; K373-V410 WeakPolarHBondContact O-CA 3.39Å; C375-V410 HydrophobicContact CB-CG1 4.13Å; Y380-V410 HydrophobicContact CE1-CG1 4.06Å; K408-V410 VanDerWaalsContact C-N 3.33Å
411I89.8Confident78.2Confident9 Ų984.4 Ų84.45%0.04642%0.418CS..EExtended strand (participates in β ladder)trans-117.1125.5173-61168.8000108.7L372 K373 F374 C375 M398 F399 I413L372-I411 HydrophobicContact CD1-CD1 3.83Å; L372-I411 HydrophobicContact CD1-CG1 4.08Å; L372-I411 HydrophobicContact CD2-CD1 4.02Å; L372-I411 HydrophobicContact CG-CD1 4.43Å; K373-I411 PolarHBondContact O-N 3.42Å; F374-I411 CarbonylContact C-O 3.48Å; F374-I411 VanDerWaalsContact CA-O 3.32Å; F374-I411 WeakPolarHBondContact CA-O 3.34Å; F374-I411 HydrophobicContact CD1-CB 3.69Å; F374-I411 HydrophobicContact CD1-CG2 3.79Å; F374-I411 HydrophobicContact CE1-CB 3.68Å; F374-I411 HydrophobicContact CE1-CD1 3.78Å; F374-I411 HydrophobicContact CE1-CG1 4.33Å; F374-I411 HydrophobicContact CE1-CG2 3.59Å; F374-I411 HydrophobicContact CZ-CB 4.49Å; F374-I411 HydrophobicContact CZ-CD1 3.84Å; C375-I411 PolarHBondContact N-O 2.59Å; M398-I411 HydrophobicContact CE-CD1 3.79Å; M398-I411 HydrophobicContact CE-CG2 4.33Å; M398-I411 HydrophobicContact SD-CD1 4.43Å; F399-I411 HydrophobicContact CE1-CD1 4.23Å; F399-I411 HydrophobicContact CZ-CD1 4.17Å; I411-I413 HydrophobicContact CG2-CD1 4.14Å
412E91.6Very high80Confident145 Ų14585.7 Ų85.768%0.67842%0.416SS*.EExtended strand (participates in β ladder)trans-90.5134.2179-65.7-178.6166.800110.5C375C375-E412 HydrophobicContact CB-CG 4.23Å
413I91.7Very high82Confident20 Ų2076.2 Ų76.210%0.10337%0.373CS..EExtended strand (participates in β ladder)trans-127.7114.5178.4-54.9-68.8000108.8F374 C375 V376 I411 F416 Y421F374-I413 HydrophobicContact CD1-CD1 4.13Å; F374-I413 HydrophobicContact CD1-CG1 3.77Å; F374-I413 HydrophobicContact CE1-CD1 4.29Å; F374-I413 HydrophobicContact CE1-CG1 4.41Å; C375-I413 PolarHBondContact O-N 2.76Å; V376-I413 HydrophobicContact CG2-CB 3.99Å; V376-I413 HydrophobicContact CG2-CG1 4.37Å; I411-I413 HydrophobicContact CG2-CD1 4.14Å; I413-F416 HydrophobicContact CG2-CB 4.48Å; I413-F416 HydrophobicContact CG2-CD2 4.12Å; I413-Y421 HydrophobicContact CD1-CE1 4.37Å; I413-Y421 HydrophobicContact CD1-CE2 4.07Å; I413-Y421 HydrophobicContact CG1-CD1 4.36Å; I413-Y421 HydrophobicContact CG1-CE1 3.87Å; I413-Y421 HydrophobicContact CG1-CE2 4.06Å; I413-Y421 HydrophobicContact CG2-CD2 3.79Å; I413-Y421 HydrophobicContact CG2-CE2 3.83Å; I413-Y421 HydrophobicContact CG2-CG 4.28Å
414D89.1Confident84Confident143 Ų14368.2 Ų68.277%0.76534%0.343SS*.  trans-107.8-7.4-178.4-53.2-36.8000112.9
415Q86.9Confident85.8Confident167 Ų16761.5 Ų61.578%0.7831%0.307SS*.SBendtrans-88.5-21.1-169.8-64.3172.310.600113.3
416F89.4Confident87.5Confident21 Ų2161.1 Ų61.19%0.09231%0.305CS..SBendtrans-131.7148.2-173-59.5-75.6000110V376 I413 V420 Y421 L446V376-F416 WeakPolarHBondContact CG1-O 3.27Å; I413-F416 HydrophobicContact CG2-CB 4.48Å; I413-F416 HydrophobicContact CG2-CD2 4.12Å; F416-V420 HydrophobicContact CB-CG1 4.37Å; F416-V420 HydrophobicContact CD1-CG1 4.29Å; F416-Y421 HydrophobicContact CB-CD2 4.11Å; F416-Y421 AromaticContact CD2-CD2 3.94Å; F416-Y421 HydrophobicContact CD2-CD2 3.94Å; F416-Y421 HydrophobicContact CD2-CE2 4.21Å; F416-Y421 HydrophobicContact CG-CD2 4.32Å; F416-L446 HydrophobicContact CB-CD1 4.5Å; F416-L446 HydrophobicContact CD1-CB 4.19Å; F416-L446 HydrophobicContact CD1-CD1 4.15Å; F416-L446 HydrophobicContact CD2-CD1 3.91Å; F416-L446 HydrophobicContact CD2-CG 4.47Å; F416-L446 HydrophobicContact CE1-CB 3.79Å; F416-L446 HydrophobicContact CE1-CD1 4.37Å; F416-L446 HydrophobicContact CE1-CG 4.29Å; F416-L446 HydrophobicContact CE2-CD1 4.14Å; F416-L446 HydrophobicContact CE2-CG 4.2Å; F416-L446 HydrophobicContact CG-CD1 3.91Å; F416-L446 HydrophobicContact CZ-CB 3.99Å; F416-L446 HydrophobicContact CZ-CD1 4.37Å; F416-L446 HydrophobicContact CZ-CG 4.11Å
417S90.8Very high89.1Confident48 Ų4858.5 Ų58.534%0.33629%0.291SS..  trans-66.9154.5174.472.40000111.1A419 V420 Y421S417-A419 PolarHBondContact O-N 3.45Å; S417-V420 PolarHBondContact O-N 3.13Å; S417-V420 VanDerWaalsContact O-N 3.16Å; S417-V420 WeakPolarHBondContact OG-CG2 3.29Å; S417-V420 PolarHBondContact OG-N 3.43Å; S417-Y421 PolarHBondContact O-N 3.02Å
418Y92.6Very high90.6Very high48 Ų4850.7 Ų50.719%0.18825%0.252CS..Hα-helixtrans-51.3-43.4175.3179.8-93.7000112.9V376 D377 K379 I381 V420 R422V376-Y418 HydrophobicContact CB-CD2 4.19Å; D377-Y418 PolarHBondContact OD2-N 3.08Å; K379-Y418 HydrophobicContact CB-CD2 3.49Å; K379-Y418 VanDerWaalsContact CB-CD2 3.49Å; K379-Y418 HydrophobicContact CB-CE2 3.36Å; K379-Y418 HydrophobicContact CB-CG 4.38Å; K379-Y418 HydrophobicContact CD-CD1 4.13Å; K379-Y418 HydrophobicContact CD-CD2 3.86Å; K379-Y418 HydrophobicContact CD-CE1 4.23Å; K379-Y418 HydrophobicContact CD-CE2 3.96Å; K379-Y418 HydrophobicContact CD-CG 3.94Å; K379-Y418 HydrophobicContact CG-CD2 4.29Å; K379-Y418 HydrophobicContact CG-CE2 4.32Å; I381-Y418 HydrophobicContact CD1-CD2 4.09Å; I381-Y418 HydrophobicContact CD1-CE2 3.81Å; I381-Y418 HydrophobicContact CG1-CD2 4.17Å; I381-Y418 HydrophobicContact CG1-CE2 3.43Å; I381-Y418 VanDerWaalsContact CG1-CE2 3.43Å; Y418-V420 PolarHBondContact O-N 2.89Å; Y418-R422 HydrophobicContact CE1-CB 4.43Å; Y418-R422 WeakPolarHBondContact O-CB 3.24Å; Y418-R422 PolarHBondContact O-N 3.36Å
419A91.9Very high91.7Very high42 Ų4246.5 Ų46.535%0.34723%0.234SC..Hα-helixtrans-62.6-44.4-178.500000112S417 A423S417-A419 PolarHBondContact O-N 3.45Å; A419-A423 WeakPolarHBondContact O-CB 3.17Å; A419-A423 PolarHBondContact O-N 3.17Å
420V93.2Very high92.4Very high5 Ų540.6 Ų40.63%0.0321%0.208CC..Hα-helixtrans-66.6-50.5179.7169.50000110.8F416 S417 Y418 R422 A423 F424 D439 G442 L443 L446F416-V420 HydrophobicContact CB-CG1 4.37Å; F416-V420 HydrophobicContact CD1-CG1 4.29Å; S417-V420 PolarHBondContact O-N 3.13Å; S417-V420 VanDerWaalsContact O-N 3.16Å; S417-V420 WeakPolarHBondContact OG-CG2 3.29Å; S417-V420 PolarHBondContact OG-N 3.43Å; Y418-V420 PolarHBondContact O-N 2.89Å; V420-R422 PolarHBondContact O-N 2.81Å; V420-A423 PolarHBondContact O-N 3.13Å; V420-F424 PolarHBondContact O-N 2.79Å; V420-D439 HydrophobicContact CG2-CB 4.47Å; V420-G442 WeakPolarHBondContact CG1-O 3.06Å; V420-L443 HydrophobicContact CG1-CB 4.35Å; V420-L443 HydrophobicContact CG1-CD1 4.49Å; V420-L446 HydrophobicContact CG1-CD1 4.23Å
421Y94.7Very high92.4Very high1 Ų140.4 Ų40.40%0.00421%0.205CC..Hα-helixtrans-68.4-37.3-176.3-152.1-95.1000111.9F374 V376 I413 F416 S417 F424 L425 L446 Y450F374-Y421 HydrophobicContact CB-CE1 4.28Å; F374-Y421 AromaticContact CD1-CE1 3.64Å; F374-Y421 HydrophobicContact CD1-CE1 3.64Å; F374-Y421 HydrophobicContact CD2-CE1 4.4Å; F374-Y421 HydrophobicContact CE1-CE1 4Å; F374-Y421 WeakPolarHBondContact CE1-OH 3.45Å; F374-Y421 AromaticContact CG-CE1 3.85Å; F374-Y421 HydrophobicContact CG-CE1 3.85Å; V376-Y421 HydrophobicContact CG2-CD1 3.95Å; V376-Y421 HydrophobicContact CG2-CG 4.2Å; I413-Y421 HydrophobicContact CD1-CE1 4.37Å; I413-Y421 HydrophobicContact CD1-CE2 4.07Å; I413-Y421 HydrophobicContact CG1-CD1 4.36Å; I413-Y421 HydrophobicContact CG1-CE1 3.87Å; I413-Y421 HydrophobicContact CG1-CE2 4.06Å; I413-Y421 HydrophobicContact CG2-CD2 3.79Å; I413-Y421 HydrophobicContact CG2-CE2 3.83Å; I413-Y421 HydrophobicContact CG2-CG 4.28Å; F416-Y421 HydrophobicContact CB-CD2 4.11Å; F416-Y421 AromaticContact CD2-CD2 3.94Å; F416-Y421 HydrophobicContact CD2-CD2 3.94Å; F416-Y421 HydrophobicContact CD2-CE2 4.21Å; F416-Y421 HydrophobicContact CG-CD2 4.32Å; S417-Y421 PolarHBondContact O-N 3.02Å; Y421-F424 WeakPolarHBondContact O-CB 3.35Å; Y421-F424 PolarHBondContact O-N 3.47Å; Y421-L425 HydrophobicContact CD1-CD1 3.79Å; Y421-L425 HydrophobicContact CD1-CG 4.15Å; Y421-L425 HydrophobicContact CE1-CD1 3.86Å; Y421-L425 HydrophobicContact CE1-CD2 4.32Å; Y421-L425 HydrophobicContact CE1-CG 4.12Å; Y421-L425 WeakPolarHBondContact O-CG 3.27Å; Y421-L425 PolarHBondContact O-N 2.93Å; Y421-L446 HydrophobicContact CD2-CD1 3.45Å; Y421-L446 VanDerWaalsContact CD2-CD1 3.45Å; Y421-L446 HydrophobicContact CE2-CD1 3.85Å; Y421-L446 HydrophobicContact CG-CD1 4.4Å; Y421-Y450 HydrophobicContact CE2-CE2 4.29Å; Y421-Y450 PolarHBondContact OH-OH 2.96Å
422R95Very high92.3Very high71 Ų7144.4 Ų44.427%0.26823%0.227SC..Hα-helixtrans-63.4-43174-171.2179.2-176.9-74.8-3.6112.1F364 D365 I381 Y418 V420 F424 L425 Q426F364-R422 HydrophobicContact CE1-CG 4.24Å; F364-R422 HydrophobicContact CZ-CG 4.01Å; D365-R422 IonicContact OD2-CZ 3.64Å; D365-R422 IonicContact OD2-NE 3.25Å; D365-R422 PolarHBondContact OD2-NE 3.24Å; D365-R422 VanDerWaalsContact OD2-NE 3.12Å; D365-R422 IonicContact OD2-NH2 3.81Å; D365-R422 PolarHBondContact OD2-NH2 3.31Å; I381-R422 HydrophobicContact CD1-CB 3.68Å; I381-R422 HydrophobicContact CD1-CG 4.18Å; I381-R422 HydrophobicContact CG1-CB 4.43Å; I381-R422 HydrophobicContact CG1-CG 4.45Å; I381-R422 HydrophobicContact CG2-CG 4.4Å; Y418-R422 HydrophobicContact CE1-CB 4.43Å; Y418-R422 WeakPolarHBondContact O-CB 3.24Å; Y418-R422 PolarHBondContact O-N 3.36Å; V420-R422 PolarHBondContact O-N 2.81Å; R422-F424 VanDerWaalsContact C-N 3.3Å; R422-F424 PolarHBondContact O-N 3Å; R422-L425 PolarHBondContact O-N 3.2Å; R422-Q426 VanDerWaalsContact O-CB 3.3Å; R422-Q426 WeakPolarHBondContact O-CB 3.38Å; R422-Q426 PolarHBondContact O-N 3.46Å
423A94.3Very high92.1Very high6 Ų638.5 Ų38.55%0.0520%0.2CC..Hα-helixtrans-64-37.2177.300000112.1A419 V420 Q426 F427 L435 L443A419-A423 WeakPolarHBondContact O-CB 3.17Å; A419-A423 PolarHBondContact O-N 3.17Å; V420-A423 PolarHBondContact O-N 3.13Å; A423-Q426 PolarHBondContact O-N 3.28Å; A423-F427 WeakPolarHBondContact O-CB 3.49Å; A423-F427 PolarHBondContact O-N 3.32Å; A423-L435 HydrophobicContact CB-CD1 3.42Å; A423-L435 VanDerWaalsContact CB-CD1 3.42Å; A423-L435 HydrophobicContact CB-CD2 3.97Å; A423-L435 HydrophobicContact CB-CG 3.62Å; A423-L443 HydrophobicContact CB-CD2 4.5Å
424F95.6Very high91.7Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-59.7-51.7172.3170.4-118.6000112F395 V420 Y421 R422 Q426 F427 L428 L443 L446 Y450 E452 L455F395-F424 AromaticContact CE2-CE1 3.53Å; F395-F424 HydrophobicContact CE2-CE1 3.53Å; F395-F424 HydrophobicContact CE2-CZ 4.06Å; F395-F424 AromaticContact CZ-CE1 3.94Å; F395-F424 HydrophobicContact CZ-CE1 3.94Å; V420-F424 PolarHBondContact O-N 2.79Å; Y421-F424 WeakPolarHBondContact O-CB 3.35Å; Y421-F424 PolarHBondContact O-N 3.47Å; R422-F424 VanDerWaalsContact C-N 3.3Å; R422-F424 PolarHBondContact O-N 3Å; F424-Q426 VanDerWaalsContact C-N 3.32Å; F424-Q426 PolarHBondContact O-N 2.85Å; F424-F427 WeakPolarHBondContact O-CB 3.46Å; F424-F427 PolarHBondContact O-N 2.94Å; F424-L428 HydrophobicContact CE1-CD1 4.15Å; F424-L428 HydrophobicContact CE2-CD1 4.38Å; F424-L428 HydrophobicContact CE2-CD2 4.16Å; F424-L428 HydrophobicContact CE2-CG 4.31Å; F424-L428 HydrophobicContact CZ-CD1 3.89Å; F424-L428 HydrophobicContact CZ-CD2 4.34Å; F424-L428 HydrophobicContact CZ-CG 4.32Å; F424-L428 PolarHBondContact O-N 3.5Å; F424-L443 HydrophobicContact CB-CD1 3.61Å; F424-L446 HydrophobicContact CB-CD1 4.06Å; F424-L446 HydrophobicContact CB-CD2 3.78Å; F424-L446 HydrophobicContact CD1-CD1 4.31Å; F424-L446 HydrophobicContact CD1-CD2 3.54Å; F424-L446 HydrophobicContact CD2-CD2 3.38Å; F424-L446 HydrophobicContact CE1-CD2 3.9Å; F424-L446 HydrophobicContact CE2-CD2 3.79Å; F424-L446 HydrophobicContact CG-CD1 4.24Å; F424-L446 HydrophobicContact CG-CD2 3.25Å; F424-L446 HydrophobicContact CG-CG 4.42Å; F424-L446 HydrophobicContact CZ-CD2 4.03Å; F424-Y450 HydrophobicContact CD1-CD2 4.34Å; F424-Y450 HydrophobicContact CD1-CE2 4.2Å; F424-Y450 AromaticContact CE1-CD2 3.53Å; F424-Y450 HydrophobicContact CE1-CD2 3.53Å; F424-Y450 AromaticContact CE1-CE2 3.57Å; F424-Y450 HydrophobicContact CE1-CE2 3.57Å; F424-Y450 HydrophobicContact CE2-CD2 4.2Å; F424-Y450 AromaticContact CZ-CD2 3.46Å; F424-Y450 HydrophobicContact CZ-CD2 3.46Å; F424-Y450 VanDerWaalsContact CZ-CD2 3.46Å; F424-Y450 HydrophobicContact CZ-CE2 4.03Å; F424-E452 HydrophobicContact CE2-CG 4.21Å; F424-L455 HydrophobicContact CD2-CD2 3.55Å; F424-L455 HydrophobicContact CE2-CD2 4.08Å
425L95.4Very high91.6Very high0 Ų039.8 Ų39.80%020%0.203CC..Hα-helixtrans-63.3-41.2179.3-65.3173000111.1F364 F374 I381 V383 L388 F395 Y421 R422 F427 L428 Y429F364-L425 HydrophobicContact CE2-CB 3.73Å; F364-L425 HydrophobicContact CZ-CB 4.14Å; F374-L425 HydrophobicContact CB-CD1 4.43Å; F374-L425 HydrophobicContact CD2-CD1 3.78Å; F374-L425 HydrophobicContact CD2-CD2 4.4Å; F374-L425 HydrophobicContact CE2-CD1 4.37Å; F374-L425 HydrophobicContact CE2-CD2 4.17Å; F374-L425 HydrophobicContact CG-CD1 4.24Å; I381-L425 HydrophobicContact CB-CD1 4.2Å; I381-L425 HydrophobicContact CD1-CD1 4.18Å; I381-L425 HydrophobicContact CG2-CD1 3.81Å; V383-L425 HydrophobicContact CG1-CB 4.31Å; V383-L425 HydrophobicContact CG1-CD1 4.04Å; L388-L425 HydrophobicContact CD2-CD2 3.89Å; F395-L425 HydrophobicContact CE2-CD2 4Å; F395-L425 HydrophobicContact CZ-CD2 4.14Å; Y421-L425 HydrophobicContact CD1-CD1 3.79Å; Y421-L425 HydrophobicContact CD1-CG 4.15Å; Y421-L425 HydrophobicContact CE1-CD1 3.86Å; Y421-L425 HydrophobicContact CE1-CD2 4.32Å; Y421-L425 HydrophobicContact CE1-CG 4.12Å; Y421-L425 WeakPolarHBondContact O-CG 3.27Å; Y421-L425 PolarHBondContact O-N 2.93Å; R422-L425 PolarHBondContact O-N 3.2Å; L425-F427 VanDerWaalsContact C-N 3.29Å; L425-F427 PolarHBondContact O-N 3.21Å; L425-L428 HydrophobicContact CD2-CD1 4.47Å; L425-L428 WeakPolarHBondContact O-CB 3.36Å; L425-L428 PolarHBondContact O-N 3Å; L425-L428 VanDerWaalsContact O-N 3.13Å; L425-Y429 WeakPolarHBondContact O-CD2 3.14Å; L425-Y429 PolarHBondContact O-N 2.98Å
426Q94.8Very high91.5Very high39 Ų3933.6 Ų33.618%0.18218%0.178CC..Hα-helixtrans-61.1-37.9176.1-172.3173.3-17.400112.2F364 R422 A423 F424 L428 Y429 T430F364-Q426 HydrophobicContact CD1-CB 4.07Å; F364-Q426 HydrophobicContact CD1-CG 3.93Å; F364-Q426 HydrophobicContact CE1-CB 3.51Å; F364-Q426 HydrophobicContact CE1-CG 3.79Å; F364-Q426 HydrophobicContact CE2-CB 4.27Å; F364-Q426 HydrophobicContact CZ-CB 3.63Å; F364-Q426 HydrophobicContact CZ-CG 4.39Å; R422-Q426 VanDerWaalsContact O-CB 3.3Å; R422-Q426 WeakPolarHBondContact O-CB 3.38Å; R422-Q426 PolarHBondContact O-N 3.46Å; A423-Q426 PolarHBondContact O-N 3.28Å; F424-Q426 VanDerWaalsContact C-N 3.32Å; F424-Q426 PolarHBondContact O-N 2.85Å; Q426-L428 VanDerWaalsContact C-N 3.3Å; Q426-L428 PolarHBondContact O-N 2.84Å; Q426-Y429 PolarHBondContact O-N 3.36Å; Q426-Y429 VanDerWaalsContact O-N 3.17Å; Q426-T430 HydrophobicContact CG-CG2 4.19Å; Q426-T430 WeakPolarHBondContact O-CB 3.22Å; Q426-T430 WeakPolarHBondContact O-CG2 3.49Å; Q426-T430 PolarHBondContact O-N 2.89Å; Q426-T430 PolarHBondContact O-OG1 3.37Å
427F94.9Very high91.3Very high5 Ų533.9 Ų33.92%0.02218%0.181CC..Hα-helixtrans-60.5-39.7175.4167.1-99.6000111.7A423 F424 L425 Y429 T430 D431 V433 R454 L455A423-F427 WeakPolarHBondContact O-CB 3.49Å; A423-F427 PolarHBondContact O-N 3.32Å; F424-F427 WeakPolarHBondContact O-CB 3.46Å; F424-F427 PolarHBondContact O-N 2.94Å; L425-F427 VanDerWaalsContact C-N 3.29Å; L425-F427 PolarHBondContact O-N 3.21Å; F427-Y429 PolarHBondContact O-N 3.03Å; F427-T430 PolarHBondContact O-N 2.83Å; F427-D431 WeakPolarHBondContact O-CA 3.24Å; F427-D431 PolarHBondContact O-N 3.18Å; F427-V433 HydrophobicContact CB-CG2 3.93Å; F427-V433 HydrophobicContact CD2-CG2 3.89Å; F427-V433 HydrophobicContact CG-CG2 4.19Å; F427-R454 HydrophobicContact CZ-CB 4.44Å; F427-R454 HydrophobicContact CZ-CG 4.25Å; F427-L455 HydrophobicContact CB-CD1 4.26Å; F427-L455 HydrophobicContact CD1-CB 4.21Å; F427-L455 HydrophobicContact CD1-CD1 3.9Å; F427-L455 HydrophobicContact CD1-CD2 4Å; F427-L455 HydrophobicContact CD1-CG 4.28Å; F427-L455 HydrophobicContact CD2-CD1 3.85Å; F427-L455 HydrophobicContact CE1-CB 3.8Å; F427-L455 HydrophobicContact CE1-CD1 4.2Å; F427-L455 HydrophobicContact CE1-CD2 4.37Å; F427-L455 HydrophobicContact CE1-CG 4.36Å; F427-L455 HydrophobicContact CE2-CD1 4.15Å; F427-L455 HydrophobicContact CG-CD1 3.71Å; F427-L455 HydrophobicContact CZ-CB 4.02Å; F427-L455 HydrophobicContact CZ-CD1 4.31Å
428L94.2Very high90.9Very high4 Ų436.8 Ų36.82%0.02119%0.19CC..Hα-helixtrans-61.3-30.3177.7-61-179.8000112.7L388 R391 C392 F395 F424 L425 Q426L388-L428 HydrophobicContact CD2-CD1 3.53Å; R391-L428 HydrophobicContact CB-CB 4.13Å; R391-L428 HydrophobicContact CB-CD2 4.05Å; R391-L428 WeakPolarHBondContact CG-O 3.39Å; R391-L428 PolarHBondContact NE-O 2.9Å; C392-L428 HydrophobicContact CB-CD1 4.05Å; C392-L428 HydrophobicContact CB-CD2 4.05Å; F395-L428 HydrophobicContact CD2-CD1 4.07Å; F395-L428 HydrophobicContact CE2-CD1 3.92Å; F424-L428 HydrophobicContact CE1-CD1 4.15Å; F424-L428 HydrophobicContact CE2-CD1 4.38Å; F424-L428 HydrophobicContact CE2-CD2 4.16Å; F424-L428 HydrophobicContact CE2-CG 4.31Å; F424-L428 HydrophobicContact CZ-CD1 3.89Å; F424-L428 HydrophobicContact CZ-CD2 4.34Å; F424-L428 HydrophobicContact CZ-CG 4.32Å; F424-L428 PolarHBondContact O-N 3.5Å; L425-L428 HydrophobicContact CD2-CD1 4.47Å; L425-L428 WeakPolarHBondContact O-CB 3.36Å; L425-L428 PolarHBondContact O-N 3Å; L425-L428 VanDerWaalsContact O-N 3.13Å; Q426-L428 VanDerWaalsContact C-N 3.3Å; Q426-L428 PolarHBondContact O-N 2.84Å
429Y94.5Very high90.5Very high10 Ų1037.4 Ų37.44%0.03920%0.197CC..Hα-helixtrans-85.4-35.9177.6-81.7-102.2000113.9L360 F364 V383 H384 V387 L425 Q426 F427L360-Y429 HydrophobicContact CB-CD1 4.3Å; L360-Y429 VanDerWaalsContact O-CD1 3.26Å; L360-Y429 WeakPolarHBondContact O-CD1 3.22Å; F364-Y429 HydrophobicContact CB-CD1 4.01Å; F364-Y429 HydrophobicContact CB-CE1 4.5Å; F364-Y429 HydrophobicContact CB-CG 4Å; F364-Y429 AromaticContact CD2-CD2 3.61Å; F364-Y429 HydrophobicContact CD2-CD2 3.61Å; F364-Y429 AromaticContact CD2-CE2 3.91Å; F364-Y429 HydrophobicContact CD2-CE2 3.91Å; F364-Y429 AromaticContact CD2-CG 3.94Å; F364-Y429 HydrophobicContact CD2-CG 3.94Å; F364-Y429 HydrophobicContact CE2-CD2 4.33Å; F364-Y429 HydrophobicContact CG-CD2 4.44Å; F364-Y429 HydrophobicContact CG-CG 4.33Å; V383-Y429 HydrophobicContact CB-CE2 4.45Å; V383-Y429 HydrophobicContact CG1-CE2 4.29Å; H384-Y429 WeakPolarHBondContact CB-OH 3.33Å; H384-Y429 PolarHBondContact N-OH 3.28Å; H384-Y429 AromaticContact ND1-CZ 3.87Å; H384-Y429 PolarHBondContact ND1-OH 3.48Å; V387-Y429 HydrophobicContact CB-CE1 4.26Å; V387-Y429 HydrophobicContact CB-CE2 4.17Å; V387-Y429 HydrophobicContact CG1-CD1 4.24Å; V387-Y429 HydrophobicContact CG1-CD2 3.98Å; V387-Y429 HydrophobicContact CG1-CE1 4.1Å; V387-Y429 HydrophobicContact CG1-CE2 3.8Å; V387-Y429 HydrophobicContact CG1-CG 4.21Å; V387-Y429 HydrophobicContact CG2-CE1 3.92Å; L425-Y429 WeakPolarHBondContact O-CD2 3.14Å; L425-Y429 PolarHBondContact O-N 2.98Å; Q426-Y429 PolarHBondContact O-N 3.36Å; Q426-Y429 VanDerWaalsContact O-N 3.17Å; F427-Y429 PolarHBondContact O-N 3.03Å
430T91.6Very high90.4Very high20 Ų2035.4 Ų35.412%0.12318%0.18CC..Hα-helixtrans-120-9.9-162.466.20000114.5K361 Q426 F427 N432K361-T430 HydrophobicContact CB-CG2 3.85Å; K361-T430 HydrophobicContact CD-CG2 4.23Å; K361-T430 HydrophobicContact CG-CG2 3.72Å; Q426-T430 HydrophobicContact CG-CG2 4.19Å; Q426-T430 WeakPolarHBondContact O-CB 3.22Å; Q426-T430 WeakPolarHBondContact O-CG2 3.49Å; Q426-T430 PolarHBondContact O-N 2.89Å; Q426-T430 PolarHBondContact O-OG1 3.37Å; F427-T430 PolarHBondContact O-N 2.83Å; T430-N432 PolarHBondContact O-N 3.05Å; T430-N432 VanDerWaalsContact O-N 3.07Å; T430-N432 PolarHBondContact O-ND2 2.86Å; T430-N432 PolarHBondContact OG1-N 2.95Å; T430-N432 PolarHBondContact OG1-O 3.4Å
431D89.1Confident89.9Confident44 Ų4436.2 Ų36.224%0.23518%0.184CC..SBendtrans57.712.9-171.9-86.5-28.8000115.1R391 F427 R454R391-D431 IonicContact CZ-OD1 3.1Å; R391-D431 IonicContact NH2-OD1 3.75Å; R391-D431 PolarHBondContact NH2-OD1 3.31Å; R391-D431 IonicContact NH2-OD2 2.78Å; R391-D431 PolarHBondContact NH2-OD2 3.33Å; F427-D431 WeakPolarHBondContact O-CA 3.24Å; F427-D431 PolarHBondContact O-N 3.18Å; D431-R454 VanDerWaalsContact CG-CZ 3.49Å; D431-R454 IonicContact OD1-CZ 3.07Å; D431-R454 IonicContact OD1-NH1 2.81Å; D431-R454 PolarHBondContact OD1-NH1 3.35Å; D431-R454 IonicContact OD1-NH2 3.01Å; D431-R454 IonicContact OD2-CZ 2.71Å; D431-R454 IonicContact OD2-NH1 3.2Å; D431-R454 PolarHBondContact OD2-NH1 3.01Å; D431-R454 IonicContact OD2-NH2 3.93Å; D431-R454 PolarHBondContact OD2-NH2 3.28Å
432N87Confident89.5Confident94 Ų9437 Ų3750%0.50319%0.192SC..  trans-122.7149.9-178.2-67.8-64.2000110.4T430T430-N432 PolarHBondContact O-N 3.05Å; T430-N432 VanDerWaalsContact O-N 3.07Å; T430-N432 PolarHBondContact O-ND2 2.86Å; T430-N432 PolarHBondContact OG1-N 2.95Å; T430-N432 PolarHBondContact OG1-O 3.4Å
433V88.3Confident89.3Confident20 Ų2033.6 Ų33.612%0.12118%0.179CC..  trans-129.5130173.9175.90000108.1F427 L435 L443 L455 L458 I462F427-V433 HydrophobicContact CB-CG2 3.93Å; F427-V433 HydrophobicContact CD2-CG2 3.89Å; F427-V433 HydrophobicContact CG-CG2 4.19Å; V433-L435 HydrophobicContact CG1-CB 4.14Å; V433-L435 HydrophobicContact CG1-CD1 4.21Å; V433-L435 HydrophobicContact CG1-CG 4.09Å; V433-L443 HydrophobicContact CB-CD2 4.27Å; V433-L443 HydrophobicContact CG1-CD2 3.41Å; V433-L443 VanDerWaalsContact CG1-CD2 3.41Å; V433-L443 HydrophobicContact CG2-CD2 3.8Å; V433-L455 HydrophobicContact CG2-CD1 3.49Å; V433-L455 VanDerWaalsContact CG2-CD1 3.49Å; V433-L458 HydrophobicContact CB-CD2 3.41Å; V433-L458 VanDerWaalsContact CB-CD2 3.41Å; V433-L458 HydrophobicContact CG1-CD2 4.46Å; V433-L458 HydrophobicContact CG2-CD2 3.37Å; V433-I462 HydrophobicContact CB-CD1 4.06Å; V433-I462 HydrophobicContact CG1-CD1 3.92Å
434E82.2Confident89Confident154 Ų15433.5 Ų33.572%0.7218%0.178SC*.  trans-12194.8173-69.7176.1-170.100107.6
435L86.7Confident88.5Confident37 Ų3735.7 Ų35.719%0.19419%0.189CC..  trans-141.2156.2177.9-79.9-177.3000110.8A423 V433 D439 L443A423-L435 HydrophobicContact CB-CD1 3.42Å; A423-L435 VanDerWaalsContact CB-CD1 3.42Å; A423-L435 HydrophobicContact CB-CD2 3.97Å; A423-L435 HydrophobicContact CB-CG 3.62Å; V433-L435 HydrophobicContact CG1-CB 4.14Å; V433-L435 HydrophobicContact CG1-CD1 4.21Å; V433-L435 HydrophobicContact CG1-CG 4.09Å; L435-D439 HydrophobicContact CB-CB 4.27Å; L435-D439 HydrophobicContact CD1-CB 4.17Å; L435-D439 HydrophobicContact CD2-CB 3.98Å; L435-D439 HydrophobicContact CG-CB 4.38Å; L435-L443 HydrophobicContact CD1-CB 4.05Å; L435-L443 HydrophobicContact CD1-CD2 3.92Å; L435-L443 HydrophobicContact CD1-CG 4.48Å
436S86.1Confident88.2Confident37 Ų3735.7 Ų35.726%0.25919%0.189SC..  trans-64.1155.7168.773.30000110.3E438 D439 A440S436-E438 PolarHBondContact O-N 2.92Å; S436-D439 PolarHBondContact O-N 2.87Å; S436-D439 WeakPolarHBondContact OG-CB 3.47Å; S436-D439 PolarHBondContact OG-N 2.82Å; S436-D439 PolarHBondContact OG-OD2 3.15Å; S436-A440 VanDerWaalsContact O-CB 3.29Å; S436-A440 WeakPolarHBondContact O-CB 3.48Å; S436-A440 PolarHBondContact O-N 2.96Å
437P84.3Confident87.9Confident26 Ų2633.9 Ų33.917%0.16918%0.181CC..THydrogen-bonded Turntrans-57.9-31.8173.7-25.236.2000113.1L475P437-L475 HydrophobicContact CB-CD2 4.49Å
438E81.8Confident87.5Confident109 Ų10936.5 Ų36.551%0.50920%0.198SC..THydrogen-bonded Turntrans-68.3-46.9176.1-69.2114.7-140.300111.9S436 A440 I441 N471S436-E438 PolarHBondContact O-N 2.92Å; E438-A440 VanDerWaalsContact C-N 3.35Å; E438-I441 WeakPolarHBondContact O-CB 3.35Å; E438-I441 PolarHBondContact O-N 3.05Å; E438-N471 PolarHBondContact OE1-ND2 2.81Å
439D85.7Confident87.2Confident62 Ų6239.6 Ų39.633%0.33222%0.22SC..Hα-helixtrans-73.2-28.2178.9-63.7-50000112.5V420 L435 S436 I441 G442 L443V420-D439 HydrophobicContact CG2-CB 4.47Å; L435-D439 HydrophobicContact CB-CB 4.27Å; L435-D439 HydrophobicContact CD1-CB 4.17Å; L435-D439 HydrophobicContact CD2-CB 3.98Å; L435-D439 HydrophobicContact CG-CB 4.38Å; S436-D439 PolarHBondContact O-N 2.87Å; S436-D439 WeakPolarHBondContact OG-CB 3.47Å; S436-D439 PolarHBondContact OG-N 2.82Å; S436-D439 PolarHBondContact OG-OD2 3.15Å; D439-I441 PolarHBondContact O-N 3.2Å; D439-I441 VanDerWaalsContact O-N 3.14Å; D439-G442 PolarHBondContact O-N 3.18Å; D439-L443 PolarHBondContact O-N 2.91Å
440A88.8Confident86.9Confident0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-60.8-21.7176.200000112.6S436 E438 L443 L444 I462 I463S436-A440 VanDerWaalsContact O-CB 3.29Å; S436-A440 WeakPolarHBondContact O-CB 3.48Å; S436-A440 PolarHBondContact O-N 2.96Å; E438-A440 VanDerWaalsContact C-N 3.35Å; A440-L443 PolarHBondContact O-N 2.89Å; A440-L444 WeakPolarHBondContact O-CB 3.05Å; A440-L444 PolarHBondContact O-N 3.41Å; A440-I462 HydrophobicContact CB-CB 4.45Å; A440-I462 HydrophobicContact CB-CG2 3.98Å; A440-I463 HydrophobicContact CB-CD1 4.34Å; A440-I463 HydrophobicContact CB-CG1 3.89Å
441I83.5Confident86.6Confident22 Ų2244 Ų4411%0.11325%0.248CC..Hα-helixtrans-66.1-49.2171.1-67.6163000110.8E438 D439 L443 L444 D445 I463 L475 A478 Y482E438-I441 WeakPolarHBondContact O-CB 3.35Å; E438-I441 PolarHBondContact O-N 3.05Å; D439-I441 PolarHBondContact O-N 3.2Å; D439-I441 VanDerWaalsContact O-N 3.14Å; I441-L443 PolarHBondContact O-N 2.74Å; I441-L444 VanDerWaalsContact O-CB 3.31Å; I441-L444 WeakPolarHBondContact O-CB 3.44Å; I441-L444 PolarHBondContact O-N 2.84Å; I441-D445 PolarHBondContact O-N 2.73Å; I441-I463 HydrophobicContact CG1-CD1 4.08Å; I441-L475 HydrophobicContact CD1-CD2 3.48Å; I441-L475 VanDerWaalsContact CD1-CD2 3.48Å; I441-L475 HydrophobicContact CG1-CD2 4.1Å; I441-A478 HydrophobicContact CB-CB 4.39Å; I441-A478 HydrophobicContact CD1-CB 3.38Å; I441-A478 HydrophobicContact CG1-CB 3.88Å; I441-A478 HydrophobicContact CG2-CB 3.61Å; I441-Y482 HydrophobicContact CG2-CD2 3.72Å; I441-Y482 HydrophobicContact CG2-CE2 3.28Å
442G86.1Confident86.6Confident17 Ų1743.3 Ų43.318%0.17524%0.243CC..Hα-helixtrans-60.4-36177.400000111.1V420 D439 D445 L446V420-G442 WeakPolarHBondContact CG1-O 3.06Å; D439-G442 PolarHBondContact O-N 3.18Å; G442-D445 PolarHBondContact O-N 2.92Å; G442-L446 PolarHBondContact O-N 2.91Å; G442-L446 VanDerWaalsContact O-N 3.1Å
443L90.2Very high86.6Confident0 Ų044 Ų440%025%0.247CC..Hα-helixtrans-69.8-33.3174.4-16965.6000112.9V420 A423 F424 V433 L435 D439 A440 I441 L446 A447 L455 C459V420-L443 HydrophobicContact CG1-CB 4.35Å; V420-L443 HydrophobicContact CG1-CD1 4.49Å; A423-L443 HydrophobicContact CB-CD2 4.5Å; F424-L443 HydrophobicContact CB-CD1 3.61Å; V433-L443 HydrophobicContact CB-CD2 4.27Å; V433-L443 HydrophobicContact CG1-CD2 3.41Å; V433-L443 VanDerWaalsContact CG1-CD2 3.41Å; V433-L443 HydrophobicContact CG2-CD2 3.8Å; L435-L443 HydrophobicContact CD1-CB 4.05Å; L435-L443 HydrophobicContact CD1-CD2 3.92Å; L435-L443 HydrophobicContact CD1-CG 4.48Å; D439-L443 PolarHBondContact O-N 2.91Å; A440-L443 PolarHBondContact O-N 2.89Å; I441-L443 PolarHBondContact O-N 2.74Å; L443-L446 PolarHBondContact O-N 3.23Å; L443-A447 WeakPolarHBondContact O-CB 3.31Å; L443-A447 PolarHBondContact O-N 3.44Å; L443-L455 HydrophobicContact CD1-CD2 4.04Å; L443-L455 HydrophobicContact CD2-CD1 3.79Å; L443-L455 HydrophobicContact CD2-CG 4.39Å; L443-L455 HydrophobicContact CG-CD1 4.23Å; L443-L455 HydrophobicContact CG-CD2 4.17Å; L443-L455 HydrophobicContact CG-CG 4.3Å; L443-C459 VanDerWaalsContact CD2-SG 3.53Å
444L88.1Confident86.5Confident4 Ų449.4 Ų49.42%0.02127%0.265CS..Hα-helixtrans-64.7-40.3175.2-178.666.3000111.7A440 I441 T448 K456 C459 Q460 I463 A484 L487A440-L444 WeakPolarHBondContact O-CB 3.05Å; A440-L444 PolarHBondContact O-N 3.41Å; I441-L444 VanDerWaalsContact O-CB 3.31Å; I441-L444 WeakPolarHBondContact O-CB 3.44Å; I441-L444 PolarHBondContact O-N 2.84Å; L444-T448 WeakPolarHBondContact O-CB 3.31Å; L444-T448 PolarHBondContact O-N 2.75Å; L444-T448 PolarHBondContact O-OG1 2.85Å; L444-K456 HydrophobicContact CD1-CB 4.33Å; L444-K456 HydrophobicContact CD1-CG 3.61Å; L444-C459 HydrophobicContact CB-CB 4.01Å; L444-C459 HydrophobicContact CD1-CB 4Å; L444-Q460 HydrophobicContact CD1-CG 4.1Å; L444-I463 HydrophobicContact CD2-CD1 4.36Å; L444-A484 HydrophobicContact CD2-CB 4.3Å; L444-L487 HydrophobicContact CD2-CD2 4.16Å
445D85.7Confident86.9Confident45 Ų4542 Ų4224%0.24123%0.231CC..Hα-helixtrans-63.3-49.1174.5-173.822.6000111.5I441 G442 A447 T448 S449 Y482I441-D445 PolarHBondContact O-N 2.73Å; G442-D445 PolarHBondContact O-N 2.92Å; D445-A447 PolarHBondContact O-N 2.87Å; D445-T448 WeakPolarHBondContact O-CB 3.4Å; D445-T448 PolarHBondContact O-N 3.05Å; D445-T448 VanDerWaalsContact O-N 3.11Å; D445-S449 WeakPolarHBondContact O-CB 3.44Å; D445-S449 PolarHBondContact O-N 3.21Å; D445-S449 PolarHBondContact O-OG 2.89Å; D445-S449 VanDerWaalsContact O-OG 3.07Å; D445-Y482 HydrophobicContact CB-CD1 3.78Å; D445-Y482 HydrophobicContact CB-CE1 3.38Å; D445-Y482 WeakPolarHBondContact OD1-CE1 3.4Å; D445-Y482 WeakPolarHBondContact OD2-CE1 3.27Å; D445-Y482 PolarHBondContact OD2-OH 3.28Å
446L89.3Confident87Confident0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-60-45.6176.4-169.6159.1000111.4F416 V420 Y421 F424 G442 L443 T448 S449 Y450F416-L446 HydrophobicContact CB-CD1 4.5Å; F416-L446 HydrophobicContact CD1-CB 4.19Å; F416-L446 HydrophobicContact CD1-CD1 4.15Å; F416-L446 HydrophobicContact CD2-CD1 3.91Å; F416-L446 HydrophobicContact CD2-CG 4.47Å; F416-L446 HydrophobicContact CE1-CB 3.79Å; F416-L446 HydrophobicContact CE1-CD1 4.37Å; F416-L446 HydrophobicContact CE1-CG 4.29Å; F416-L446 HydrophobicContact CE2-CD1 4.14Å; F416-L446 HydrophobicContact CE2-CG 4.2Å; F416-L446 HydrophobicContact CG-CD1 3.91Å; F416-L446 HydrophobicContact CZ-CB 3.99Å; F416-L446 HydrophobicContact CZ-CD1 4.37Å; F416-L446 HydrophobicContact CZ-CG 4.11Å; V420-L446 HydrophobicContact CG1-CD1 4.23Å; Y421-L446 HydrophobicContact CD2-CD1 3.45Å; Y421-L446 VanDerWaalsContact CD2-CD1 3.45Å; Y421-L446 HydrophobicContact CE2-CD1 3.85Å; Y421-L446 HydrophobicContact CG-CD1 4.4Å; F424-L446 HydrophobicContact CB-CD1 4.06Å; F424-L446 HydrophobicContact CB-CD2 3.78Å; F424-L446 HydrophobicContact CD1-CD1 4.31Å; F424-L446 HydrophobicContact CD1-CD2 3.54Å; F424-L446 HydrophobicContact CD2-CD2 3.38Å; F424-L446 HydrophobicContact CE1-CD2 3.9Å; F424-L446 HydrophobicContact CE2-CD2 3.79Å; F424-L446 HydrophobicContact CG-CD1 4.24Å; F424-L446 HydrophobicContact CG-CD2 3.25Å; F424-L446 HydrophobicContact CG-CG 4.42Å; F424-L446 HydrophobicContact CZ-CD2 4.03Å; G442-L446 PolarHBondContact O-N 2.91Å; G442-L446 VanDerWaalsContact O-N 3.1Å; L443-L446 PolarHBondContact O-N 3.23Å; L446-T448 PolarHBondContact O-N 2.81Å; L446-S449 PolarHBondContact O-N 2.77Å; L446-Y450 HydrophobicContact CD2-CD2 3.46Å; L446-Y450 VanDerWaalsContact CD2-CD2 3.46Å; L446-Y450 HydrophobicContact CD2-CE2 3.72Å; L446-Y450 HydrophobicContact CD2-CG 4.33Å; L446-Y450 HydrophobicContact CG-CD2 4.17Å; L446-Y450 HydrophobicContact CG-CE2 4.08Å; L446-Y450 PolarHBondContact O-N 3.33Å
447A88.9Confident87Confident1 Ų150.3 Ų50.31%0.00826%0.255CS..Hα-helixtrans-60.2-34.9176.600000112.3L443 D445 C451 E452 L455 K456L443-A447 WeakPolarHBondContact O-CB 3.31Å; L443-A447 PolarHBondContact O-N 3.44Å; D445-A447 PolarHBondContact O-N 2.87Å; A447-C451 CarbonylContact O-C 3.53Å; A447-C451 PolarHBondContact O-N 2.82Å; A447-C451 VanDerWaalsContact O-N 3.12Å; A447-E452 HydrophobicContact CB-CB 4.46Å; A447-E452 PolarHBondContact O-N 3.37Å; A447-L455 HydrophobicContact CB-CB 3.96Å; A447-L455 HydrophobicContact CB-CD2 3.8Å; A447-L455 HydrophobicContact CB-CG 3.78Å; A447-K456 HydrophobicContact CB-CB 4.45Å
448T86.3Confident87.2Confident61 Ų6151.6 Ų51.637%0.37426%0.26SS..Hα-helixtrans-72.2-44.4175.8-570000110.9L444 D445 L446 Y450 C451L444-T448 WeakPolarHBondContact O-CB 3.31Å; L444-T448 PolarHBondContact O-N 2.75Å; L444-T448 PolarHBondContact O-OG1 2.85Å; D445-T448 WeakPolarHBondContact O-CB 3.4Å; D445-T448 PolarHBondContact O-N 3.05Å; D445-T448 VanDerWaalsContact O-N 3.11Å; L446-T448 PolarHBondContact O-N 2.81Å; T448-Y450 VanDerWaalsContact C-N 3.28Å; T448-Y450 PolarHBondContact O-N 2.88Å; T448-C451 PolarHBondContact O-N 3.45Å; T448-C451 VanDerWaalsContact O-N 3.16Å
449S86.9Confident87.5Confident69 Ų6946.4 Ų46.448%0.48324%0.236SC..Hα-helixtrans-60.2-35.9177.6-64.60000112.9D445 L446D445-S449 WeakPolarHBondContact O-CB 3.44Å; D445-S449 PolarHBondContact O-N 3.21Å; D445-S449 PolarHBondContact O-OG 2.89Å; D445-S449 VanDerWaalsContact O-OG 3.07Å; L446-S449 PolarHBondContact O-N 2.77Å
450Y88.6Confident87.6Confident28 Ų2844.8 Ų44.811%0.1123%0.227CC..THydrogen-bonded Turntrans-98.89.6178.6-63.3-15.1000114H394 Y421 F424 L446 T448 E452H394-Y450 HydrophobicContact CB-CD1 4.17Å; H394-Y450 HydrophobicContact CB-CG 4.16Å; H394-Y450 AromaticContact CD2-CD1 3.79Å; H394-Y450 AromaticContact CD2-CE1 3.59Å; H394-Y450 AromaticContact CD2-CZ 3.84Å; H394-Y450 AromaticContact CE1-CE1 3.77Å; H394-Y450 AromaticContact CG-CD1 3.68Å; H394-Y450 AromaticContact CG-CE1 3.93Å; H394-Y450 AromaticContact ND1-CD1 3.86Å; H394-Y450 AromaticContact NE2-CE1 3.5Å; H394-Y450 WeakPolarHBondContact NE2-CE1 3.25Å; H394-Y450 AromaticContact NE2-CZ 3.88Å; Y421-Y450 HydrophobicContact CE2-CE2 4.29Å; Y421-Y450 PolarHBondContact OH-OH 2.96Å; F424-Y450 HydrophobicContact CD1-CD2 4.34Å; F424-Y450 HydrophobicContact CD1-CE2 4.2Å; F424-Y450 AromaticContact CE1-CD2 3.53Å; F424-Y450 HydrophobicContact CE1-CD2 3.53Å; F424-Y450 AromaticContact CE1-CE2 3.57Å; F424-Y450 HydrophobicContact CE1-CE2 3.57Å; F424-Y450 HydrophobicContact CE2-CD2 4.2Å; F424-Y450 AromaticContact CZ-CD2 3.46Å; F424-Y450 HydrophobicContact CZ-CD2 3.46Å; F424-Y450 VanDerWaalsContact CZ-CD2 3.46Å; F424-Y450 HydrophobicContact CZ-CE2 4.03Å; L446-Y450 HydrophobicContact CD2-CD2 3.46Å; L446-Y450 VanDerWaalsContact CD2-CD2 3.46Å; L446-Y450 HydrophobicContact CD2-CE2 3.72Å; L446-Y450 HydrophobicContact CD2-CG 4.33Å; L446-Y450 HydrophobicContact CG-CD2 4.17Å; L446-Y450 HydrophobicContact CG-CE2 4.08Å; L446-Y450 PolarHBondContact O-N 3.33Å; T448-Y450 VanDerWaalsContact C-N 3.28Å; T448-Y450 PolarHBondContact O-N 2.88Å; Y450-E452 VanDerWaalsContact C-N 3.26Å; Y450-E452 PolarHBondContact O-N 3.11Å
451C86Confident87.5Confident94 Ų9449.5 Ų49.564%0.63525%0.248SC*.THydrogen-bonded Turntrans58.328.8178-61.30000115.2A447 T448 N453A447-C451 CarbonylContact O-C 3.53Å; A447-C451 PolarHBondContact O-N 2.82Å; A447-C451 VanDerWaalsContact O-N 3.12Å; T448-C451 PolarHBondContact O-N 3.45Å; T448-C451 VanDerWaalsContact O-N 3.16Å; C451-N453 PolarHBondContact O-N 3.04Å; C451-N453 VanDerWaalsContact O-N 3.15Å
452E87.9Confident87.7Confident30 Ų3050.1 Ų50.114%0.1425%0.251CS..  trans-86.281.5-178.8-72.1-63.4160.800112.3C392 F424 A447 Y450 R454 L455 K456C392-E452 WeakPolarHBondContact CA-OE1 3.46Å; C392-E452 PolarHBondContact SG-OE1 2.94Å; F424-E452 HydrophobicContact CE2-CG 4.21Å; A447-E452 HydrophobicContact CB-CB 4.46Å; A447-E452 PolarHBondContact O-N 3.37Å; Y450-E452 VanDerWaalsContact C-N 3.26Å; Y450-E452 PolarHBondContact O-N 3.11Å; E452-R454 VanDerWaalsContact C-N 3.31Å; E452-R454 PolarHBondContact O-N 3.28Å; E452-L455 HydrophobicContact CB-CB 4.02Å; E452-L455 PolarHBondContact O-N 2.92Å; E452-K456 PolarHBondContact O-N 2.91Å
453N86.4Confident87.8Confident108 Ų10849.3 Ų49.358%0.57824%0.243SC*.Hα-helixtrans-58.4-34.6-174.4-71.6-52.9000114.8C451 R457C451-N453 PolarHBondContact O-N 3.04Å; C451-N453 VanDerWaalsContact O-N 3.15Å; N453-R457 WeakPolarHBondContact O-CG 3.4Å; N453-R457 PolarHBondContact O-N 2.94Å
454R87.7Confident87.7Confident133 Ų13352.5 Ų52.550%0.50226%0.257SS..Hα-helixtrans-68.6-44.5179.1-177.7179174-169-3.2110.9F427 D431 E452 K456 R457 L458F427-R454 HydrophobicContact CZ-CB 4.44Å; F427-R454 HydrophobicContact CZ-CG 4.25Å; D431-R454 VanDerWaalsContact CG-CZ 3.49Å; D431-R454 IonicContact OD1-CZ 3.07Å; D431-R454 IonicContact OD1-NH1 2.81Å; D431-R454 PolarHBondContact OD1-NH1 3.35Å; D431-R454 IonicContact OD1-NH2 3.01Å; D431-R454 IonicContact OD2-CZ 2.71Å; D431-R454 IonicContact OD2-NH1 3.2Å; D431-R454 PolarHBondContact OD2-NH1 3.01Å; D431-R454 IonicContact OD2-NH2 3.93Å; D431-R454 PolarHBondContact OD2-NH2 3.28Å; E452-R454 VanDerWaalsContact C-N 3.31Å; E452-R454 PolarHBondContact O-N 3.28Å; R454-K456 VanDerWaalsContact C-N 3.34Å; R454-R457 PolarHBondContact O-N 3.11Å; R454-L458 PolarHBondContact O-N 2.81Å; R454-L458 VanDerWaalsContact O-N 3.14Å
455L90.3Very high87.7Confident0 Ų061.8 Ų61.80%029%0.292CS..Hα-helixtrans-63.4-42.3176.9-174.957.7000110.9F424 F427 V433 L443 A447 E452 R457 L458 C459F424-L455 HydrophobicContact CD2-CD2 3.55Å; F424-L455 HydrophobicContact CE2-CD2 4.08Å; F427-L455 HydrophobicContact CB-CD1 4.26Å; F427-L455 HydrophobicContact CD1-CB 4.21Å; F427-L455 HydrophobicContact CD1-CD1 3.9Å; F427-L455 HydrophobicContact CD1-CD2 4Å; F427-L455 HydrophobicContact CD1-CG 4.28Å; F427-L455 HydrophobicContact CD2-CD1 3.85Å; F427-L455 HydrophobicContact CE1-CB 3.8Å; F427-L455 HydrophobicContact CE1-CD1 4.2Å; F427-L455 HydrophobicContact CE1-CD2 4.37Å; F427-L455 HydrophobicContact CE1-CG 4.36Å; F427-L455 HydrophobicContact CE2-CD1 4.15Å; F427-L455 HydrophobicContact CG-CD1 3.71Å; F427-L455 HydrophobicContact CZ-CB 4.02Å; F427-L455 HydrophobicContact CZ-CD1 4.31Å; V433-L455 HydrophobicContact CG2-CD1 3.49Å; V433-L455 VanDerWaalsContact CG2-CD1 3.49Å; L443-L455 HydrophobicContact CD1-CD2 4.04Å; L443-L455 HydrophobicContact CD2-CD1 3.79Å; L443-L455 HydrophobicContact CD2-CG 4.39Å; L443-L455 HydrophobicContact CG-CD1 4.23Å; L443-L455 HydrophobicContact CG-CD2 4.17Å; L443-L455 HydrophobicContact CG-CG 4.3Å; A447-L455 HydrophobicContact CB-CB 3.96Å; A447-L455 HydrophobicContact CB-CD2 3.8Å; A447-L455 HydrophobicContact CB-CG 3.78Å; E452-L455 HydrophobicContact CB-CB 4.02Å; E452-L455 PolarHBondContact O-N 2.92Å; L455-R457 VanDerWaalsContact C-N 3.34Å; L455-R457 PolarHBondContact O-N 2.94Å; L455-L458 WeakPolarHBondContact O-CB 3.37Å; L455-L458 PolarHBondContact O-N 3.27Å; L455-C459 PolarHBondContact O-N 3.5Å; L455-C459 PolarHBondContact O-SG 2.86Å
456K87.9Confident87.7Confident64 Ų6460.7 Ų60.728%0.27829%0.292SS..Hα-helixtrans-51.4-49.9174.6-173.7173.8-177.4166.80112.3L444 A447 E452 R454 L458 C459 Q460L444-K456 HydrophobicContact CD1-CB 4.33Å; L444-K456 HydrophobicContact CD1-CG 3.61Å; A447-K456 HydrophobicContact CB-CB 4.45Å; E452-K456 PolarHBondContact O-N 2.91Å; R454-K456 VanDerWaalsContact C-N 3.34Å; K456-L458 VanDerWaalsContact C-N 3.34Å; K456-L458 PolarHBondContact O-N 3.34Å; K456-C459 PolarHBondContact O-N 2.93Å; K456-Q460 WeakPolarHBondContact O-CG 3.21Å; K456-Q460 PolarHBondContact O-N 2.84Å; K456-Q460 VanDerWaalsContact O-N 3.1Å
457R86.7Confident87.7Confident184 Ų18461.7 Ų61.769%0.69430%0.296SS*.Hα-helixtrans-63.7-39.2177.6-67178.8-163.3163.25.1112.3N453 R454 L455 Q460 H461N453-R457 WeakPolarHBondContact O-CG 3.4Å; N453-R457 PolarHBondContact O-N 2.94Å; R454-R457 PolarHBondContact O-N 3.11Å; L455-R457 VanDerWaalsContact C-N 3.34Å; L455-R457 PolarHBondContact O-N 2.94Å; R457-Q460 PolarHBondContact O-N 2.97Å; R457-H461 PolarHBondContact O-N 3.31Å; R457-H461 VanDerWaalsContact O-N 3.08Å
458L88.4Confident87.7Confident53 Ų5364.8 Ų64.828%0.27732%0.315SS..Hα-helixtrans-66.7-44.2-179.8-163.3118.2000111.3V433 R454 L455 K456 H461 I462V433-L458 HydrophobicContact CB-CD2 3.41Å; V433-L458 VanDerWaalsContact CB-CD2 3.41Å; V433-L458 HydrophobicContact CG1-CD2 4.46Å; V433-L458 HydrophobicContact CG2-CD2 3.37Å; R454-L458 PolarHBondContact O-N 2.81Å; R454-L458 VanDerWaalsContact O-N 3.14Å; L455-L458 WeakPolarHBondContact O-CB 3.37Å; L455-L458 PolarHBondContact O-N 3.27Å; K456-L458 VanDerWaalsContact C-N 3.34Å; K456-L458 PolarHBondContact O-N 3.34Å; L458-H461 WeakPolarHBondContact O-CB 3.26Å; L458-H461 PolarHBondContact O-N 2.95Å; L458-I462 HydrophobicContact CD2-CD1 3.86Å; L458-I462 WeakPolarHBondContact O-CG1 3.35Å; L458-I462 PolarHBondContact O-N 3.02Å
459C89.1Confident87.8Confident0 Ų063.4 Ų63.40%031%0.307CS..Hα-helixtrans-59-47.8174-63.40000111.6L443 L444 L455 K456 H461 I462 I463L443-C459 VanDerWaalsContact CD2-SG 3.53Å; L444-C459 HydrophobicContact CB-CB 4.01Å; L444-C459 HydrophobicContact CD1-CB 4Å; L455-C459 PolarHBondContact O-N 3.5Å; L455-C459 PolarHBondContact O-SG 2.86Å; K456-C459 PolarHBondContact O-N 2.93Å; C459-H461 PolarHBondContact O-N 2.81Å; C459-I462 PolarHBondContact O-N 3.34Å; C459-I463 VanDerWaalsContact O-CG1 3.26Å; C459-I463 WeakPolarHBondContact O-CG1 3.32Å; C459-I463 PolarHBondContact O-N 2.93Å
460Q86.6Confident87.8Confident28 Ų2867.7 Ų67.713%0.13132%0.319CS..Hα-helixtrans-57.7-37.8176.8-72.7175.1-17.200112.2L444 K456 R457 K464L444-Q460 HydrophobicContact CD1-CG 4.1Å; K456-Q460 WeakPolarHBondContact O-CG 3.21Å; K456-Q460 PolarHBondContact O-N 2.84Å; K456-Q460 VanDerWaalsContact O-N 3.1Å; R457-Q460 PolarHBondContact O-N 2.97Å; Q460-K464 WeakPolarHBondContact O-CB 3.48Å; Q460-K464 WeakPolarHBondContact O-CG 3.46Å; Q460-K464 PolarHBondContact O-N 2.89Å
461H87.9Confident87.8Confident98 Ų9867 Ų6745%0.45432%0.318SS..Hα-helixtrans-70-41.1177.8-169.373000112.9R457 L458 C459 I463 K464 R465R457-H461 PolarHBondContact O-N 3.31Å; R457-H461 VanDerWaalsContact O-N 3.08Å; L458-H461 WeakPolarHBondContact O-CB 3.26Å; L458-H461 PolarHBondContact O-N 2.95Å; C459-H461 PolarHBondContact O-N 2.81Å; H461-I463 VanDerWaalsContact C-N 3.34Å; H461-K464 PolarHBondContact O-N 3.02Å; H461-R465 VanDerWaalsContact NE2-CZ 3.31Å; H461-R465 PolarHBondContact NE2-NE 2.86Å; H461-R465 VanDerWaalsContact NE2-NE 3.11Å; H461-R465 PolarHBondContact O-N 2.91Å; H461-R465 VanDerWaalsContact O-N 3.08Å
462I87.4Confident87.9Confident35 Ų3562.5 Ų62.518%0.17929%0.287CS..Hα-helixtrans-58.8-48.2174.2-68.9167.4000109.7V433 A440 L458 C459 R465 G466V433-I462 HydrophobicContact CB-CD1 4.06Å; V433-I462 HydrophobicContact CG1-CD1 3.92Å; A440-I462 HydrophobicContact CB-CB 4.45Å; A440-I462 HydrophobicContact CB-CG2 3.98Å; L458-I462 HydrophobicContact CD2-CD1 3.86Å; L458-I462 WeakPolarHBondContact O-CG1 3.35Å; L458-I462 PolarHBondContact O-N 3.02Å; C459-I462 PolarHBondContact O-N 3.34Å; I462-R465 PolarHBondContact O-N 2.83Å; I462-G466 PolarHBondContact O-N 3.27Å
463I88.6Confident87.9Confident0 Ų061.1 Ų61.10%028%0.281CS..Hα-helixtrans-63.9-45.6-179.4-60.4163.7000110.9A440 I441 L444 C459 H461 R465 G466 I467 L475 L487A440-I463 HydrophobicContact CB-CD1 4.34Å; A440-I463 HydrophobicContact CB-CG1 3.89Å; I441-I463 HydrophobicContact CG1-CD1 4.08Å; L444-I463 HydrophobicContact CD2-CD1 4.36Å; C459-I463 VanDerWaalsContact O-CG1 3.26Å; C459-I463 WeakPolarHBondContact O-CG1 3.32Å; C459-I463 PolarHBondContact O-N 2.93Å; H461-I463 VanDerWaalsContact C-N 3.34Å; I463-R465 VanDerWaalsContact C-N 3.27Å; I463-R465 PolarHBondContact O-N 3.37Å; I463-G466 PolarHBondContact O-N 3.22Å; I463-I467 PolarHBondContact O-N 2.85Å; I463-I467 VanDerWaalsContact O-N 3.16Å; I463-L475 HydrophobicContact CG2-CB 4.41Å; I463-L475 HydrophobicContact CG2-CD1 3.84Å; I463-L475 HydrophobicContact CG2-CD2 3.68Å; I463-L475 HydrophobicContact CG2-CG 4.17Å; I463-L487 HydrophobicContact CB-CD1 4.05Å; I463-L487 HydrophobicContact CB-CD2 4.41Å; I463-L487 HydrophobicContact CD1-CD2 3.72Å; I463-L487 HydrophobicContact CG2-CD1 3.76Å; I463-L487 HydrophobicContact CG2-CD2 4.09Å; I463-L487 HydrophobicContact CG2-CG 4.4Å
464K86.9Confident87.8Confident67 Ų6758.4 Ų58.429%0.29127%0.27SS..Hα-helixtrans-61.8-32.1179-75.3177.2177.8-177.60113.2Q460 H461 D486 L487 F490Q460-K464 WeakPolarHBondContact O-CB 3.48Å; Q460-K464 WeakPolarHBondContact O-CG 3.46Å; Q460-K464 PolarHBondContact O-N 2.89Å; H461-K464 PolarHBondContact O-N 3.02Å; K464-D486 WeakPolarHBondContact CE-O 3.36Å; K464-D486 PolarHBondContact NZ-O 2.88Å; K464-L487 HydrophobicContact CG-CD1 3.87Å; K464-F490 HydrophobicContact CB-CD1 4.35Å; K464-F490 HydrophobicContact CB-CE1 3.93Å; K464-F490 HydrophobicContact CB-CZ 4.11Å; K464-F490 HydrophobicContact CD-CD2 4.48Å; K464-F490 HydrophobicContact CD-CG 4.35Å; K464-F490 HydrophobicContact CG-CD1 3.72Å; K464-F490 HydrophobicContact CG-CD2 4.41Å; K464-F490 HydrophobicContact CG-CE1 3.84Å; K464-F490 HydrophobicContact CG-CG 4.01Å; K464-F490 HydrophobicContact CG-CZ 4.24Å
465R88.1Confident87.8Confident199 Ų19952.1 Ų52.175%0.75125%0.246SC*.Hα-helixtrans-82.6-29.1177.7-77.5-170.6167.1-172.6-0113.9H461 I462 I463H461-R465 VanDerWaalsContact NE2-CZ 3.31Å; H461-R465 PolarHBondContact NE2-NE 2.86Å; H461-R465 VanDerWaalsContact NE2-NE 3.11Å; H461-R465 PolarHBondContact O-N 2.91Å; H461-R465 VanDerWaalsContact O-N 3.08Å; I462-R465 PolarHBondContact O-N 2.83Å; I463-R465 VanDerWaalsContact C-N 3.27Å; I463-R465 PolarHBondContact O-N 3.37Å
466G85.3Confident87.7Confident23 Ų2352.5 Ų52.524%0.23725%0.248CC..SBendtrans-100.110.8-176.300000114.8I462 I463 T468 N471I462-G466 PolarHBondContact O-N 3.27Å; I463-G466 PolarHBondContact O-N 3.22Å; G466-T468 PolarHBondContact O-N 2.99Å; G466-N471 PolarHBondContact O-ND2 3.42Å
467I89.6Confident87.6Confident20 Ų2050.3 Ų50.310%0.10324%0.242CC..  trans-66.2131.6174.2-167.5158.6000110.1I463 A472 L475 F490 C491 F494I463-I467 PolarHBondContact O-N 2.85Å; I463-I467 VanDerWaalsContact O-N 3.16Å; I467-A472 HydrophobicContact CD1-CB 4.09Å; I467-A472 HydrophobicContact CG1-CB 3.99Å; I467-L475 HydrophobicContact CB-CD1 4.07Å; I467-L475 HydrophobicContact CD1-CD1 4.3Å; I467-L475 HydrophobicContact CG1-CD1 3.93Å; I467-F490 HydrophobicContact CD1-CE1 4.34Å; I467-F490 HydrophobicContact CG2-CE1 3.86Å; I467-F490 HydrophobicContact CG2-CZ 4.35Å; I467-C491 HydrophobicContact CD1-CB 4.3Å; I467-F494 HydrophobicContact CD1-CB 3.75Å; I467-F494 HydrophobicContact CD1-CD1 3.8Å; I467-F494 HydrophobicContact CD1-CD2 4.32Å; I467-F494 HydrophobicContact CD1-CG 3.69Å; I467-F494 HydrophobicContact CG1-CD1 3.8Å; I467-F494 HydrophobicContact CG1-CD2 4.31Å; I467-F494 HydrophobicContact CG1-CE1 4Å; I467-F494 HydrophobicContact CG1-CE2 4.49Å; I467-F494 HydrophobicContact CG1-CG 3.96Å; I467-F494 HydrophobicContact CG1-CZ 4.35Å; I467-F494 HydrophobicContact CG2-CD2 3.76Å; I467-F494 HydrophobicContact CG2-CE2 3.79Å; I467-F494 HydrophobicContact CG2-CG 4.24Å; I467-F494 HydrophobicContact CG2-CZ 4.3Å
468T89.9Confident87.4Confident66 Ų6642.1 Ų42.141%0.40521%0.213SC..  trans-133.1166.7176.465.20000108.7G466 E470 N471 A472G466-T468 PolarHBondContact O-N 2.99Å; T468-E470 PolarHBondContact O-N 2.83Å; T468-N471 PolarHBondContact N-OD1 3.31Å; T468-N471 PolarHBondContact O-N 2.83Å; T468-N471 PolarHBondContact O-OD1 2.94Å; T468-N471 VanDerWaalsContact O-OD1 3.12Å; T468-N471 VanDerWaalsContact OG1-CG 3.28Å; T468-N471 PolarHBondContact OG1-N 3.28Å; T468-N471 PolarHBondContact OG1-OD1 2.84Å; T468-N471 VanDerWaalsContact OG1-OD1 3.08Å; T468-A472 WeakPolarHBondContact O-CA 3.04Å; T468-A472 WeakPolarHBondContact O-CB 2.88Å; T468-A472 PolarHBondContact O-N 2.81Å
469V88.4Confident87.2Confident33 Ų3339.6 Ų39.620%0.220%0.2CC..THydrogen-bonded Turntrans-55.7-40.9176.3176.80000111.2H498 E501 V502 T505V469-H498 HydrophobicContact CG2-CB 4.45Å; V469-E501 HydrophobicContact CG1-CB 3.59Å; V469-E501 HydrophobicContact CG2-CB 4.46Å; V469-E501 WeakPolarHBondContact CG2-OE2 3.09Å; V469-V502 HydrophobicContact CG1-CG2 4Å; V469-T505 HydrophobicContact CG1-CG2 3.98Å
470E86.6Confident87Confident158 Ų15842.4 Ų42.474%0.73822%0.217SC*.THydrogen-bonded Turntrans-68.4-36-175.7-63.1-168166.800113.6T468T468-E470 PolarHBondContact O-N 2.83Å
471N88.3Confident86.8Confident14 Ų1449.7 Ų49.78%0.07524%0.243CC..THydrogen-bonded Turntrans-104.1-7.7-176.669.810000114.3E438 G466 T468 F473 S474 L475E438-N471 PolarHBondContact OE1-ND2 2.81Å; G466-N471 PolarHBondContact O-ND2 3.42Å; T468-N471 PolarHBondContact N-OD1 3.31Å; T468-N471 PolarHBondContact O-N 2.83Å; T468-N471 PolarHBondContact O-OD1 2.94Å; T468-N471 VanDerWaalsContact O-OD1 3.12Å; T468-N471 VanDerWaalsContact OG1-CG 3.28Å; T468-N471 PolarHBondContact OG1-N 3.28Å; T468-N471 PolarHBondContact OG1-OD1 2.84Å; T468-N471 VanDerWaalsContact OG1-OD1 3.08Å; N471-F473 VanDerWaalsContact C-N 3.32Å; N471-F473 PolarHBondContact O-N 2.95Å; N471-S474 WeakPolarHBondContact O-CB 3.37Å; N471-S474 PolarHBondContact O-N 2.78Å; N471-S474 VanDerWaalsContact O-N 3.14Å; N471-L475 HydrophobicContact CB-CG 4.5Å; N471-L475 VanDerWaalsContact O-CG 3.31Å; N471-L475 WeakPolarHBondContact O-CG 3.35Å; N471-L475 PolarHBondContact O-N 2.83Å; N471-L475 WeakPolarHBondContact OD1-CD1 3.42Å
472A88Confident86.2Confident0 Ų047.8 Ų47.80%023%0.232CC..Hα-helixtrans-54.5-43.7-173.400000113.8I467 T468 L475 L476 F494 V502I467-A472 HydrophobicContact CD1-CB 4.09Å; I467-A472 HydrophobicContact CG1-CB 3.99Å; T468-A472 WeakPolarHBondContact O-CA 3.04Å; T468-A472 WeakPolarHBondContact O-CB 2.88Å; T468-A472 PolarHBondContact O-N 2.81Å; A472-L475 PolarHBondContact O-N 3.35Å; A472-L476 WeakPolarHBondContact O-CB 3.46Å; A472-L476 PolarHBondContact O-N 2.87Å; A472-F494 HydrophobicContact CB-CD1 3.64Å; A472-F494 HydrophobicContact CB-CE1 3.91Å; A472-V502 HydrophobicContact CB-CG2 4.4Å
473F87.1Confident85.8Confident0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-75.4-33.9-177.7-147.2-104.9000112.3N471 L476 S477 V502 F508 I511 L515 L516 F519N471-F473 VanDerWaalsContact C-N 3.32Å; N471-F473 PolarHBondContact O-N 2.95Å; F473-L476 HydrophobicContact CD2-CD2 4.27Å; F473-L476 HydrophobicContact CE2-CD2 4.11Å; F473-L476 PolarHBondContact O-N 2.87Å; F473-S477 PolarHBondContact O-N 3.35Å; F473-V502 HydrophobicContact CB-CG1 4.28Å; F473-V502 HydrophobicContact CD2-CG1 4.19Å; F473-F508 HydrophobicContact CD1-CB 4.48Å; F473-F508 AromaticContact CD1-CD2 4Å; F473-F508 HydrophobicContact CD1-CD2 4Å; F473-F508 AromaticContact CD2-CD2 3.62Å; F473-F508 HydrophobicContact CD2-CD2 3.62Å; F473-F508 HydrophobicContact CD2-CE2 4.07Å; F473-F508 HydrophobicContact CE1-CD2 4Å; F473-F508 HydrophobicContact CE1-CE2 4.36Å; F473-F508 AromaticContact CE2-CD2 3.61Å; F473-F508 HydrophobicContact CE2-CD2 3.61Å; F473-F508 AromaticContact CE2-CE2 3.6Å; F473-F508 HydrophobicContact CE2-CE2 3.6Å; F473-F508 AromaticContact CG-CD2 3.83Å; F473-F508 HydrophobicContact CG-CD2 3.83Å; F473-F508 AromaticContact CZ-CD2 3.82Å; F473-F508 HydrophobicContact CZ-CD2 3.82Å; F473-F508 AromaticContact CZ-CE2 3.78Å; F473-F508 HydrophobicContact CZ-CE2 3.78Å; F473-I511 HydrophobicContact CD1-CB 4.31Å; F473-I511 HydrophobicContact CD1-CD1 3.51Å; F473-I511 HydrophobicContact CD1-CG1 4.45Å; F473-I511 HydrophobicContact CD1-CG2 4.34Å; F473-I511 HydrophobicContact CE1-CB 4.22Å; F473-I511 HydrophobicContact CE1-CD1 4.17Å; F473-I511 HydrophobicContact CE1-CG2 3.89Å; F473-I511 HydrophobicContact CG-CD1 4.45Å; F473-L515 HydrophobicContact CE1-CD2 4.49Å; F473-L516 HydrophobicContact CE1-CD1 4.37Å; F473-L516 HydrophobicContact CZ-CD1 4.05Å; F473-F519 HydrophobicContact CE2-CB 4.35Å; F473-F519 AromaticContact CE2-CD1 3.74Å; F473-F519 HydrophobicContact CE2-CD1 3.74Å; F473-F519 AromaticContact CE2-CD2 3.76Å; F473-F519 HydrophobicContact CE2-CD2 3.76Å; F473-F519 AromaticContact CE2-CE1 3.93Å; F473-F519 HydrophobicContact CE2-CE1 3.93Å; F473-F519 AromaticContact CE2-CE2 3.94Å; F473-F519 HydrophobicContact CE2-CE2 3.94Å; F473-F519 AromaticContact CE2-CG 3.66Å; F473-F519 HydrophobicContact CE2-CG 3.66Å; F473-F519 HydrophobicContact CE2-CZ 4.02Å; F473-F519 HydrophobicContact CZ-CB 4.15Å; F473-F519 HydrophobicContact CZ-CD1 4.09Å; F473-F519 HydrophobicContact CZ-CD2 4.38Å; F473-F519 AromaticContact CZ-CG 3.93Å; F473-F519 HydrophobicContact CZ-CG 3.93Å
474S86.2Confident85.5Confident51 Ų5152.2 Ų52.236%0.35726%0.257SS..Hα-helixtrans-63-43.5171.4-57.20000111.4N471 S477 A478 A507N471-S474 WeakPolarHBondContact O-CB 3.37Å; N471-S474 PolarHBondContact O-N 2.78Å; N471-S474 VanDerWaalsContact O-N 3.14Å; S474-S477 PolarHBondContact O-N 3.25Å; S474-A478 WeakPolarHBondContact O-CB 3.16Å; S474-A478 PolarHBondContact O-N 2.82Å; S474-A507 WeakPolarHBondContact OG-CB 3.28Å
475L86.9Confident85.3Confident1 Ų155.8 Ų55.81%0.00528%0.275CS..Hα-helixtrans-64.7-39.5176.1-67.1175.9000111.8P437 I441 I463 I467 N471 A472 A478 A479P437-L475 HydrophobicContact CB-CD2 4.49Å; I441-L475 HydrophobicContact CD1-CD2 3.48Å; I441-L475 VanDerWaalsContact CD1-CD2 3.48Å; I441-L475 HydrophobicContact CG1-CD2 4.1Å; I463-L475 HydrophobicContact CG2-CB 4.41Å; I463-L475 HydrophobicContact CG2-CD1 3.84Å; I463-L475 HydrophobicContact CG2-CD2 3.68Å; I463-L475 HydrophobicContact CG2-CG 4.17Å; I467-L475 HydrophobicContact CB-CD1 4.07Å; I467-L475 HydrophobicContact CD1-CD1 4.3Å; I467-L475 HydrophobicContact CG1-CD1 3.93Å; N471-L475 HydrophobicContact CB-CG 4.5Å; N471-L475 VanDerWaalsContact O-CG 3.31Å; N471-L475 WeakPolarHBondContact O-CG 3.35Å; N471-L475 PolarHBondContact O-N 2.83Å; N471-L475 WeakPolarHBondContact OD1-CD1 3.42Å; A472-L475 PolarHBondContact O-N 3.35Å; L475-A478 PolarHBondContact O-N 3.11Å; L475-A479 WeakPolarHBondContact O-CB 3.36Å; L475-A479 PolarHBondContact O-N 3.06Å
476L87.9Confident85.1Confident8 Ų851.5 Ų51.54%0.04227%0.267CS..Hα-helixtrans-62.1-47.7174.4179.260.4000111.5A472 F473 A478 A479 V480 E488 C491 F492 F519A472-L476 WeakPolarHBondContact O-CB 3.46Å; A472-L476 PolarHBondContact O-N 2.87Å; F473-L476 HydrophobicContact CD2-CD2 4.27Å; F473-L476 HydrophobicContact CE2-CD2 4.11Å; F473-L476 PolarHBondContact O-N 2.87Å; L476-A478 VanDerWaalsContact C-N 3.29Å; L476-A478 PolarHBondContact O-N 3Å; L476-A479 PolarHBondContact O-N 3.05Å; L476-V480 WeakPolarHBondContact O-CG2 3.49Å; L476-V480 PolarHBondContact O-N 3.15Å; L476-V480 VanDerWaalsContact O-N 3.1Å; L476-E488 HydrophobicContact CD1-CG 3.9Å; L476-E488 WeakPolarHBondContact CD1-O 3.45Å; L476-C491 HydrophobicContact CB-CB 3.84Å; L476-C491 HydrophobicContact CD1-CB 3.91Å; L476-C491 HydrophobicContact CG-CB 4.48Å; L476-F492 HydrophobicContact CD1-CB 4.05Å; L476-F519 HydrophobicContact CD2-CD2 3.63Å; L476-F519 HydrophobicContact CD2-CE2 3.93Å
477S85.6Confident85.2Confident19 Ų1950.5 Ų50.513%0.13326%0.256CS..Hα-helixtrans-60.1-41.1178-179.20000112.1F473 S474 R481F473-S477 PolarHBondContact O-N 3.35Å; S474-S477 PolarHBondContact O-N 3.25Å; S477-R481 WeakPolarHBondContact O-CB 3.22Å; S477-R481 PolarHBondContact O-N 3.37Å
478A81.6Confident85.2Confident11 Ų1151.2 Ų51.29%0.09126%0.259CS..Hα-helixtrans-64.2-44.9174.600000112.4I441 S474 L475 L476 V480 R481 Y482I441-A478 HydrophobicContact CB-CB 4.39Å; I441-A478 HydrophobicContact CD1-CB 3.38Å; I441-A478 HydrophobicContact CG1-CB 3.88Å; I441-A478 HydrophobicContact CG2-CB 3.61Å; S474-A478 WeakPolarHBondContact O-CB 3.16Å; S474-A478 PolarHBondContact O-N 2.82Å; L475-A478 PolarHBondContact O-N 3.11Å; L476-A478 VanDerWaalsContact C-N 3.29Å; L476-A478 PolarHBondContact O-N 3Å; A478-V480 VanDerWaalsContact C-N 3.28Å; A478-V480 PolarHBondContact O-N 3.02Å; A478-R481 WeakPolarHBondContact O-CB 3.39Å; A478-R481 PolarHBondContact O-N 2.89Å; A478-R481 VanDerWaalsContact O-N 3.09Å; A478-Y482 HydrophobicContact CB-CD2 4.48Å; A478-Y482 WeakPolarHBondContact O-CD2 3.16Å; A478-Y482 PolarHBondContact O-N 3.18Å
479A84.8Confident85.1Confident1 Ų151.6 Ų51.61%0.00826%0.256CS..Hα-helixtrans-58.6-40.6179.300000112.3L475 L476 D483 A484 L487 E488L475-A479 WeakPolarHBondContact O-CB 3.36Å; L475-A479 PolarHBondContact O-N 3.06Å; L476-A479 PolarHBondContact O-N 3.05Å; A479-D483 PolarHBondContact O-N 2.91Å; A479-A484 PolarHBondContact O-N 3.47Å; A479-L487 HydrophobicContact CB-CB 4.09Å; A479-L487 HydrophobicContact CB-CD2 4.05Å; A479-L487 HydrophobicContact CB-CG 3.98Å; A479-E488 HydrophobicContact CB-CB 3.93Å
480V85Confident85.2Confident58 Ų5853.6 Ų53.635%0.35226%0.262SS..Hα-helixtrans-65.7-43.6173.8175.20000111.4L476 A478 Y482 D483 E488 L515L476-V480 WeakPolarHBondContact O-CG2 3.49Å; L476-V480 PolarHBondContact O-N 3.15Å; L476-V480 VanDerWaalsContact O-N 3.1Å; A478-V480 VanDerWaalsContact C-N 3.28Å; A478-V480 PolarHBondContact O-N 3.02Å; V480-Y482 PolarHBondContact O-N 3.08Å; V480-D483 PolarHBondContact O-N 2.85Å; V480-E488 HydrophobicContact CG2-CG 3.68Å; V480-L515 HydrophobicContact CB-CD1 3.87Å; V480-L515 HydrophobicContact CG1-CD1 3.75Å; V480-L515 HydrophobicContact CG2-CD1 3.88Å
481R82.3Confident85.3Confident181 Ų18146.1 Ų46.168%0.68323%0.227SC*.Hα-helixtrans-60.1-36.4-179.9-173.7-176.6-61.3174.52.4112.5S477 A478S477-R481 WeakPolarHBondContact O-CB 3.22Å; S477-R481 PolarHBondContact O-N 3.37Å; A478-R481 WeakPolarHBondContact O-CB 3.39Å; A478-R481 PolarHBondContact O-N 2.89Å; A478-R481 VanDerWaalsContact O-N 3.09Å
482Y75.6Confident85.4Confident59 Ų5945.9 Ų45.923%0.23123%0.225CC..THydrogen-bonded Turntrans-100.412.7-176.3-63.8-63.5000114I441 D445 A478 V480 A484I441-Y482 HydrophobicContact CG2-CD2 3.72Å; I441-Y482 HydrophobicContact CG2-CE2 3.28Å; D445-Y482 HydrophobicContact CB-CD1 3.78Å; D445-Y482 HydrophobicContact CB-CE1 3.38Å; D445-Y482 WeakPolarHBondContact OD1-CE1 3.4Å; D445-Y482 WeakPolarHBondContact OD2-CE1 3.27Å; D445-Y482 PolarHBondContact OD2-OH 3.28Å; A478-Y482 HydrophobicContact CB-CD2 4.48Å; A478-Y482 WeakPolarHBondContact O-CD2 3.16Å; A478-Y482 PolarHBondContact O-N 3.18Å; V480-Y482 PolarHBondContact O-N 3.08Å; Y482-A484 PolarHBondContact O-N 2.97Å
483D79Confident85.5Confident124 Ų12451.2 Ų51.266%0.66325%0.249SC*.THydrogen-bonded Turntrans52.942.3177.7-158.832.9000112.8A479 V480 E485A479-D483 PolarHBondContact O-N 2.91Å; V480-D483 PolarHBondContact O-N 2.85Å; D483-E485 PolarHBondContact O-N 2.87Å
484A81.6Confident85.7Confident4 Ų453.2 Ų53.23%0.03326%0.258CS..  trans-98.272-177.900000110.7L444 A479 Y482 D486 L487 E488L444-A484 HydrophobicContact CD2-CB 4.3Å; A479-A484 PolarHBondContact O-N 3.47Å; Y482-A484 PolarHBondContact O-N 2.97Å; A484-D486 VanDerWaalsContact C-N 3.33Å; A484-D486 PolarHBondContact O-N 3.15Å; A484-L487 HydrophobicContact CB-CB 4.03Å; A484-L487 WeakPolarHBondContact O-CA 3.48Å; A484-L487 WeakPolarHBondContact O-CB 3.46Å; A484-L487 PolarHBondContact O-N 2.89Å; A484-E488 PolarHBondContact O-N 2.94Å
485E84.4Confident85.9Confident141 Ų14150.8 Ų50.866%0.65924%0.241SC*.Hα-helixtrans-46.8-48.7-173.2-63-175.9168.400114D483 L487 E488 E489D483-E485 PolarHBondContact O-N 2.87Å; E485-L487 VanDerWaalsContact C-N 3.25Å; E485-L487 PolarHBondContact O-N 3.14Å; E485-E488 PolarHBondContact O-N 2.92Å; E485-E489 WeakPolarHBondContact O-CB 3.23Å; E485-E489 PolarHBondContact O-N 2.88Å
486D83.9Confident86Confident110 Ų11052.1 Ų52.159%0.58825%0.248SC*.Hα-helixtrans-64.4-27.5-179.6-80.9-20.7000114.1K464 A484K464-D486 WeakPolarHBondContact CE-O 3.36Å; K464-D486 PolarHBondContact NZ-O 2.88Å; A484-D486 VanDerWaalsContact C-N 3.33Å; A484-D486 PolarHBondContact O-N 3.15Å
487L85.9Confident86Confident1 Ų157.9 Ų57.91%0.00528%0.279CS..Hα-helixtrans-87.4-40.3178.5-173.565.7000110L444 I463 K464 A479 A484 E485 F490 C491L444-L487 HydrophobicContact CD2-CD2 4.16Å; I463-L487 HydrophobicContact CB-CD1 4.05Å; I463-L487 HydrophobicContact CB-CD2 4.41Å; I463-L487 HydrophobicContact CD1-CD2 3.72Å; I463-L487 HydrophobicContact CG2-CD1 3.76Å; I463-L487 HydrophobicContact CG2-CD2 4.09Å; I463-L487 HydrophobicContact CG2-CG 4.4Å; K464-L487 HydrophobicContact CG-CD1 3.87Å; A479-L487 HydrophobicContact CB-CB 4.09Å; A479-L487 HydrophobicContact CB-CD2 4.05Å; A479-L487 HydrophobicContact CB-CG 3.98Å; A484-L487 HydrophobicContact CB-CB 4.03Å; A484-L487 WeakPolarHBondContact O-CA 3.48Å; A484-L487 WeakPolarHBondContact O-CB 3.46Å; A484-L487 PolarHBondContact O-N 2.89Å; E485-L487 VanDerWaalsContact C-N 3.25Å; E485-L487 PolarHBondContact O-N 3.14Å; L487-F490 PolarHBondContact O-N 3.02Å; L487-C491 WeakPolarHBondContact O-CB 3.45Å; L487-C491 PolarHBondContact O-N 2.86Å; L487-C491 PolarHBondContact O-SG 3.32Å
488E89.1Confident86.1Confident35 Ų3560.3 Ų60.316%0.16429%0.289CS..Hα-helixtrans-56.9-52.1175.8-177.2-168.1140.100110.9L476 A479 V480 A484 E485 F490 C491 F492 R522L476-E488 HydrophobicContact CD1-CG 3.9Å; L476-E488 WeakPolarHBondContact CD1-O 3.45Å; A479-E488 HydrophobicContact CB-CB 3.93Å; V480-E488 HydrophobicContact CG2-CG 3.68Å; A484-E488 PolarHBondContact O-N 2.94Å; E485-E488 PolarHBondContact O-N 2.92Å; E488-F490 VanDerWaalsContact C-N 3.26Å; E488-F490 PolarHBondContact O-N 3.16Å; E488-C491 PolarHBondContact O-N 2.87Å; E488-F492 VanDerWaalsContact O-CB 3.23Å; E488-F492 WeakPolarHBondContact O-CB 3.3Å; E488-F492 PolarHBondContact O-N 2.86Å; E488-R522 IonicContact OE1-CZ 2.81Å; E488-R522 IonicContact OE1-NH1 2.66Å; E488-R522 PolarHBondContact OE1-NH1 3.39Å; E488-R522 IonicContact OE1-NH2 3.83Å
489E89.1Confident86.4Confident75 Ų7560.9 Ų60.935%0.3529%0.29SS..Hα-helixtrans-62.4-34.9-179.9-179.561.2-164.700112E485 K493 R522E485-E489 WeakPolarHBondContact O-CB 3.23Å; E485-E489 PolarHBondContact O-N 2.88Å; E489-K493 WeakPolarHBondContact O-CG 2.94Å; E489-K493 PolarHBondContact O-N 2.95Å; E489-K493 VanDerWaalsContact O-N 3.11Å; E489-K493 WeakPolarHBondContact OE1-CE 3.22Å; E489-K493 IonicContact OE1-NZ 3.07Å; E489-K493 PolarHBondContact OE1-NZ 3.07Å; E489-R522 IonicContact OE2-NH2 3.56Å; E489-R522 PolarHBondContact OE2-NH2 3.26Å; E489-R522 VanDerWaalsContact OE2-NH2 3.1Å
490F89.1Confident86.4Confident75 Ų7565.9 Ų65.933%0.32932%0.32SS..Hα-helixtrans-69.6-50.4176.2179.1-91.3000111.9K464 I467 L487 E488 F492 K493 F494K464-F490 HydrophobicContact CB-CD1 4.35Å; K464-F490 HydrophobicContact CB-CE1 3.93Å; K464-F490 HydrophobicContact CB-CZ 4.11Å; K464-F490 HydrophobicContact CD-CD2 4.48Å; K464-F490 HydrophobicContact CD-CG 4.35Å; K464-F490 HydrophobicContact CG-CD1 3.72Å; K464-F490 HydrophobicContact CG-CD2 4.41Å; K464-F490 HydrophobicContact CG-CE1 3.84Å; K464-F490 HydrophobicContact CG-CG 4.01Å; K464-F490 HydrophobicContact CG-CZ 4.24Å; I467-F490 HydrophobicContact CD1-CE1 4.34Å; I467-F490 HydrophobicContact CG2-CE1 3.86Å; I467-F490 HydrophobicContact CG2-CZ 4.35Å; L487-F490 PolarHBondContact O-N 3.02Å; E488-F490 VanDerWaalsContact C-N 3.26Å; E488-F490 PolarHBondContact O-N 3.16Å; F490-F492 VanDerWaalsContact C-N 3.28Å; F490-F492 PolarHBondContact O-N 2.81Å; F490-K493 PolarHBondContact O-N 3.08Å; F490-F494 PolarHBondContact O-N 2.86Å
491C89.7Confident86.5Confident0 Ų068.4 Ų68.40%033%0.328CS..Hα-helixtrans-61.1-38.7177.3-69.90000111.1I467 L476 L487 E488 F494 C495I467-C491 HydrophobicContact CD1-CB 4.3Å; L476-C491 HydrophobicContact CB-CB 3.84Å; L476-C491 HydrophobicContact CD1-CB 3.91Å; L476-C491 HydrophobicContact CG-CB 4.48Å; L487-C491 WeakPolarHBondContact O-CB 3.45Å; L487-C491 PolarHBondContact O-N 2.86Å; L487-C491 PolarHBondContact O-SG 3.32Å; E488-C491 PolarHBondContact O-N 2.87Å; C491-F494 PolarHBondContact O-N 2.93Å; C491-C495 WeakPolarHBondContact O-CB 3.39Å; C491-C495 PolarHBondContact O-N 3.16Å; C491-C495 PolarHBondContact O-SG 3.24Å
492F91.1Very high86.7Confident9 Ų959.8 Ų59.84%0.03930%0.296CS..Hα-helixtrans-61.2-49.8176.3176.3-98.4000111.4L476 E488 F490 F494 C495 V496 F519 R522L476-F492 HydrophobicContact CD1-CB 4.05Å; E488-F492 VanDerWaalsContact O-CB 3.23Å; E488-F492 WeakPolarHBondContact O-CB 3.3Å; E488-F492 PolarHBondContact O-N 2.86Å; F490-F492 VanDerWaalsContact C-N 3.28Å; F490-F492 PolarHBondContact O-N 2.81Å; F492-F494 VanDerWaalsContact C-N 3.33Å; F492-F494 PolarHBondContact O-N 2.87Å; F492-C495 PolarHBondContact O-N 3.11Å; F492-V496 HydrophobicContact CD1-CG2 4.42Å; F492-V496 HydrophobicContact CE1-CG2 3.91Å; F492-V496 HydrophobicContact CE2-CG2 4.04Å; F492-V496 HydrophobicContact CZ-CG2 3.68Å; F492-V496 WeakPolarHBondContact O-CG2 3.19Å; F492-V496 PolarHBondContact O-N 2.83Å; F492-F519 AromaticContact CD2-CD2 3.61Å; F492-F519 HydrophobicContact CD2-CD2 3.61Å; F492-F519 AromaticContact CD2-CE2 3.62Å; F492-F519 HydrophobicContact CD2-CE2 3.62Å; F492-F519 AromaticContact CE2-CD2 3.66Å; F492-F519 HydrophobicContact CE2-CD2 3.66Å; F492-F519 AromaticContact CE2-CE2 3.71Å; F492-F519 HydrophobicContact CE2-CE2 3.71Å; F492-R522 HydrophobicContact CE1-CB 4.49Å; F492-R522 HydrophobicContact CE2-CB 3.58Å; F492-R522 HydrophobicContact CZ-CB 3.53Å
493K89.7Confident87.2Confident113 Ų11359 Ų5949%0.49130%0.297SS..Hα-helixtrans-59.8-42.3176.5-80.6173.6174.6142.70112.4E489 F490 V496 N497E489-K493 WeakPolarHBondContact O-CG 2.94Å; E489-K493 PolarHBondContact O-N 2.95Å; E489-K493 VanDerWaalsContact O-N 3.11Å; E489-K493 WeakPolarHBondContact OE1-CE 3.22Å; E489-K493 IonicContact OE1-NZ 3.07Å; E489-K493 PolarHBondContact OE1-NZ 3.07Å; F490-K493 PolarHBondContact O-N 3.08Å; K493-V496 PolarHBondContact O-N 3.03Å; K493-N497 WeakPolarHBondContact O-CB 3.07Å; K493-N497 VanDerWaalsContact O-CG 3.27Å; K493-N497 PolarHBondContact O-N 2.91Å; K493-N497 PolarHBondContact O-ND2 3.37Å
494F90.9Very high87.6Confident42 Ų4260.3 Ų60.318%0.18430%0.3CS..Hα-helixtrans-60.9-47.5175.7-171.3-83.7000111.1I467 A472 F490 C491 F492 V496 N497 H498I467-F494 HydrophobicContact CD1-CB 3.75Å; I467-F494 HydrophobicContact CD1-CD1 3.8Å; I467-F494 HydrophobicContact CD1-CD2 4.32Å; I467-F494 HydrophobicContact CD1-CG 3.69Å; I467-F494 HydrophobicContact CG1-CD1 3.8Å; I467-F494 HydrophobicContact CG1-CD2 4.31Å; I467-F494 HydrophobicContact CG1-CE1 4Å; I467-F494 HydrophobicContact CG1-CE2 4.49Å; I467-F494 HydrophobicContact CG1-CG 3.96Å; I467-F494 HydrophobicContact CG1-CZ 4.35Å; I467-F494 HydrophobicContact CG2-CD2 3.76Å; I467-F494 HydrophobicContact CG2-CE2 3.79Å; I467-F494 HydrophobicContact CG2-CG 4.24Å; I467-F494 HydrophobicContact CG2-CZ 4.3Å; A472-F494 HydrophobicContact CB-CD1 3.64Å; A472-F494 HydrophobicContact CB-CE1 3.91Å; F490-F494 PolarHBondContact O-N 2.86Å; C491-F494 PolarHBondContact O-N 2.93Å; F492-F494 VanDerWaalsContact C-N 3.33Å; F492-F494 PolarHBondContact O-N 2.87Å; F494-V496 VanDerWaalsContact C-N 3.32Å; F494-V496 PolarHBondContact O-N 2.89Å; F494-N497 PolarHBondContact O-N 3.03Å; F494-H498 AromaticContact CE1-CD2 3.86Å; F494-H498 AromaticContact CE2-CD2 3.89Å; F494-H498 AromaticContact CE2-NE2 3.94Å; F494-H498 AromaticContact CZ-CD2 3.76Å; F494-H498 PolarHBondContact O-CD2 3.24Å; F494-H498 PolarHBondContact O-N 2.95Å; F494-H498 VanDerWaalsContact O-N 3.09Å
495C90.2Very high87.9Confident0 Ų061 Ų610%030%0.303CS..Hα-helixtrans-59.6-40.6177.8-68.40000112.5C491 F492 H498 L499 F519C491-C495 WeakPolarHBondContact O-CB 3.39Å; C491-C495 PolarHBondContact O-N 3.16Å; C491-C495 PolarHBondContact O-SG 3.24Å; F492-C495 PolarHBondContact O-N 3.11Å; C495-H498 CarbonylContact O-C 3.53Å; C495-L499 WeakPolarHBondContact O-CA 3.14Å; C495-L499 PolarHBondContact O-N 3.14Å; C495-F519 HydrophobicContact CB-CE2 3.68Å; C495-F519 HydrophobicContact CB-CZ 3.75Å
496V89.4Confident87.8Confident28 Ų2859.3 Ų59.317%0.1730%0.303CS..Hα-helixtrans-69-41.5178.1169.60000111.9F492 K493 F494 H498 L499 F519 A523 A528F492-V496 HydrophobicContact CD1-CG2 4.42Å; F492-V496 HydrophobicContact CE1-CG2 3.91Å; F492-V496 HydrophobicContact CE2-CG2 4.04Å; F492-V496 HydrophobicContact CZ-CG2 3.68Å; F492-V496 WeakPolarHBondContact O-CG2 3.19Å; F492-V496 PolarHBondContact O-N 2.83Å; K493-V496 PolarHBondContact O-N 3.03Å; F494-V496 VanDerWaalsContact C-N 3.32Å; F494-V496 PolarHBondContact O-N 2.89Å; V496-H498 VanDerWaalsContact C-N 3.26Å; V496-H498 PolarHBondContact O-N 2.68Å; V496-L499 WeakPolarHBondContact O-CB 3.32Å; V496-L499 PolarHBondContact O-N 3.47Å; V496-F519 HydrophobicContact CG2-CE2 4.45Å; V496-F519 HydrophobicContact CG2-CZ 4.34Å; V496-A523 HydrophobicContact CG2-CB 4.22Å; V496-A528 HydrophobicContact CG1-CB 3.76Å
497N88Confident87.7Confident130 Ų13054.6 Ų54.670%0.69528%0.279SS*.Hα-helixtrans-67-28.2179.1-71.6-15.2000112.9K493 F494K493-N497 WeakPolarHBondContact O-CB 3.07Å; K493-N497 VanDerWaalsContact O-CG 3.27Å; K493-N497 PolarHBondContact O-N 2.91Å; K493-N497 PolarHBondContact O-ND2 3.37Å; F494-N497 PolarHBondContact O-N 3.03Å
498H88.3Confident87.6Confident70 Ų7055.1 Ų55.132%0.32428%0.281SS..THydrogen-bonded Turntrans-111.825.7179.4-63.7-81.4000112.6V469 F494 C495 V496 T500 E501 V502V469-H498 HydrophobicContact CG2-CB 4.45Å; F494-H498 AromaticContact CE1-CD2 3.86Å; F494-H498 AromaticContact CE2-CD2 3.89Å; F494-H498 AromaticContact CE2-NE2 3.94Å; F494-H498 AromaticContact CZ-CD2 3.76Å; F494-H498 PolarHBondContact O-CD2 3.24Å; F494-H498 PolarHBondContact O-N 2.95Å; F494-H498 VanDerWaalsContact O-N 3.09Å; C495-H498 CarbonylContact O-C 3.53Å; V496-H498 VanDerWaalsContact C-N 3.26Å; V496-H498 PolarHBondContact O-N 2.68Å; H498-T500 VanDerWaalsContact C-N 3.3Å; H498-T500 PolarHBondContact O-N 2.82Å; H498-T500 VanDerWaalsContact O-N 3.14Å; H498-E501 PolarHBondContact O-N 2.98Å; H498-V502 HydrophobicContact CB-CG2 3.99Å; H498-V502 WeakPolarHBondContact O-CG2 3.37Å; H498-V502 PolarHBondContact O-N 3.09Å
499L87.8Confident87.2Confident23 Ų2362.1 Ų62.112%0.1231%0.306CS..Hα-helixtrans-53.5-42.3-167.5-173.867.1000113.7C495 V496 E501 T503 F519 A528 F529C495-L499 WeakPolarHBondContact O-CA 3.14Å; C495-L499 PolarHBondContact O-N 3.14Å; V496-L499 WeakPolarHBondContact O-CB 3.32Å; V496-L499 PolarHBondContact O-N 3.47Å; L499-E501 VanDerWaalsContact C-N 3.3Å; L499-E501 PolarHBondContact O-N 2.64Å; L499-T503 HydrophobicContact CD1-CG2 3.97Å; L499-T503 HydrophobicContact CG-CG2 4.25Å; L499-T503 WeakPolarHBondContact O-CB 3.31Å; L499-T503 WeakPolarHBondContact O-CG2 3.35Å; L499-T503 PolarHBondContact O-N 3.17Å; L499-T503 PolarHBondContact O-OG1 3.46Å; L499-F519 HydrophobicContact CD1-CE1 3.85Å; L499-F519 HydrophobicContact CD1-CZ 4.04Å; L499-A528 HydrophobicContact CD2-CB 4.1Å; L499-F529 HydrophobicContact CD2-CD1 4.25Å; L499-F529 HydrophobicContact CD2-CE1 3.75Å; L499-F529 HydrophobicContact CD2-CZ 4.22Å
500T84.6Confident86.8Confident105 Ų10566 Ų6664%0.64433%0.325SS*.Hα-helixtrans-60.8-37.8-179.7-49.80000112.8H498 T503 Q504H498-T500 VanDerWaalsContact C-N 3.3Å; H498-T500 PolarHBondContact O-N 2.82Å; H498-T500 VanDerWaalsContact O-N 3.14Å; T500-T503 PolarHBondContact O-OG1 3.49Å; T500-Q504 WeakPolarHBondContact O-CG 3.2Å; T500-Q504 PolarHBondContact O-NE2 3.41Å; T500-Q504 VanDerWaalsContact O-NE2 3.13Å
501E86.7Confident86.2Confident111 Ų11164.3 Ų64.352%0.51932%0.318SS..Hα-helixtrans-85.8-41.1-178.4-58.2179.1174.600110.5V469 H498 L499 T503 Q504V469-E501 HydrophobicContact CG1-CB 3.59Å; V469-E501 HydrophobicContact CG2-CB 4.46Å; V469-E501 WeakPolarHBondContact CG2-OE2 3.09Å; H498-E501 PolarHBondContact O-N 2.98Å; L499-E501 VanDerWaalsContact C-N 3.3Å; L499-E501 PolarHBondContact O-N 2.64Å; E501-T503 VanDerWaalsContact C-N 3.32Å; E501-T503 PolarHBondContact O-N 2.74Å; E501-Q504 WeakPolarHBondContact O-CB 3.18Å; E501-Q504 PolarHBondContact O-N 3.19Å
502V87.6Confident85.5Confident0 Ų069 Ų690%034%0.344CS..Hα-helixtrans-61.4-39.4178.7172.70000111.4V469 A472 F473 H498 Q504 T505 F508V469-V502 HydrophobicContact CG1-CG2 4Å; A472-V502 HydrophobicContact CB-CG2 4.4Å; F473-V502 HydrophobicContact CB-CG1 4.28Å; F473-V502 HydrophobicContact CD2-CG1 4.19Å; H498-V502 HydrophobicContact CB-CG2 3.99Å; H498-V502 WeakPolarHBondContact O-CG2 3.37Å; H498-V502 PolarHBondContact O-N 3.09Å; V502-Q504 PolarHBondContact O-N 3.48Å; V502-T505 WeakPolarHBondContact O-CB 3.28Å; V502-T505 PolarHBondContact O-N 2.79Å; V502-T505 VanDerWaalsContact O-N 3.07Å; V502-T505 PolarHBondContact O-OG1 3.24Å; V502-F508 HydrophobicContact CG1-CD2 4.21Å; V502-F508 WeakPolarHBondContact O-CB 3.4Å
503T85.6Confident84.9Confident43 Ų4370.4 Ų70.426%0.26436%0.36SS..THydrogen-bonded Turntrans-66.4-15177.251.40000114L499 T500 E501 F508 W509L499-T503 HydrophobicContact CD1-CG2 3.97Å; L499-T503 HydrophobicContact CG-CG2 4.25Å; L499-T503 WeakPolarHBondContact O-CB 3.31Å; L499-T503 WeakPolarHBondContact O-CG2 3.35Å; L499-T503 PolarHBondContact O-N 3.17Å; L499-T503 PolarHBondContact O-OG1 3.46Å; T500-T503 PolarHBondContact O-OG1 3.49Å; E501-T503 VanDerWaalsContact C-N 3.32Å; E501-T503 PolarHBondContact O-N 2.74Å; T503-F508 HydrophobicContact CG2-CD1 4.44Å; T503-F508 HydrophobicContact CG2-CD2 4.48Å; T503-F508 HydrophobicContact CG2-CE1 3.98Å; T503-F508 HydrophobicContact CG2-CE2 4.03Å; T503-F508 HydrophobicContact CG2-CZ 3.76Å; T503-W509 PolarHBondContact O-NE1 3.25Å
504Q86.7Confident84.6Confident152 Ų15270.3 Ų70.371%0.7137%0.365SS*.THydrogen-bonded Turntrans-91.5-7175.4-62.7176.226.400112.8T500 E501 V502T500-Q504 WeakPolarHBondContact O-CG 3.2Å; T500-Q504 PolarHBondContact O-NE2 3.41Å; T500-Q504 VanDerWaalsContact O-NE2 3.13Å; E501-Q504 WeakPolarHBondContact O-CB 3.18Å; E501-Q504 PolarHBondContact O-N 3.19Å; V502-Q504 PolarHBondContact O-N 3.48Å
505T88.3Confident84.3Confident17 Ų1769.7 Ų69.710%0.10436%0.363CS..SBendtrans-77.2150.5179.867.10000112.3V469 V502 A507 F508V469-T505 HydrophobicContact CG1-CG2 3.98Å; V502-T505 WeakPolarHBondContact O-CB 3.28Å; V502-T505 PolarHBondContact O-N 2.79Å; V502-T505 VanDerWaalsContact O-N 3.07Å; V502-T505 PolarHBondContact O-OG1 3.24Å; T505-A507 VanDerWaalsContact C-N 3.28Å; T505-A507 PolarHBondContact O-N 2.99Å; T505-F508 PolarHBondContact O-N 3.38Å; T505-F508 PolarHBondContact OG1-N 2.85Å
506T82.7Confident84.1Confident107 Ų10771.3 Ų71.366%0.65637%0.372SS*.Hα-helixtrans-62.9-36.9174.251.20000111.8F508 W509 Q510T506-F508 VanDerWaalsContact C-N 3.29Å; T506-F508 PolarHBondContact O-N 2.93Å; T506-W509 PolarHBondContact O-N 2.9Å; T506-W509 VanDerWaalsContact O-N 3.16Å; T506-Q510 WeakPolarHBondContact O-CG 3.17Å; T506-Q510 PolarHBondContact O-N 3.05Å; T506-Q510 VanDerWaalsContact O-N 3.17Å
507A81.6Confident83.9Confident10 Ų1076.8 Ų76.88%0.08339%0.393CS..Hα-helixtrans-56.9-40.9178.500000112.5S474 T505 W509 Q510 I511S474-A507 WeakPolarHBondContact OG-CB 3.28Å; T505-A507 VanDerWaalsContact C-N 3.28Å; T505-A507 PolarHBondContact O-N 2.99Å; A507-W509 VanDerWaalsContact C-N 3.32Å; A507-W509 PolarHBondContact O-N 3.39Å; A507-Q510 PolarHBondContact O-N 3.25Å; A507-I511 WeakPolarHBondContact O-CD1 3.29Å
508F84.2Confident83.8Confident13 Ų1374.7 Ų74.76%0.05738%0.382CS..Hα-helixtrans-62-38.1178.5-173.7-93.8000113F473 V502 T503 T505 T506 L516 F519F473-F508 HydrophobicContact CD1-CB 4.48Å; F473-F508 AromaticContact CD1-CD2 4Å; F473-F508 HydrophobicContact CD1-CD2 4Å; F473-F508 AromaticContact CD2-CD2 3.62Å; F473-F508 HydrophobicContact CD2-CD2 3.62Å; F473-F508 HydrophobicContact CD2-CE2 4.07Å; F473-F508 HydrophobicContact CE1-CD2 4Å; F473-F508 HydrophobicContact CE1-CE2 4.36Å; F473-F508 AromaticContact CE2-CD2 3.61Å; F473-F508 HydrophobicContact CE2-CD2 3.61Å; F473-F508 AromaticContact CE2-CE2 3.6Å; F473-F508 HydrophobicContact CE2-CE2 3.6Å; F473-F508 AromaticContact CG-CD2 3.83Å; F473-F508 HydrophobicContact CG-CD2 3.83Å; F473-F508 AromaticContact CZ-CD2 3.82Å; F473-F508 HydrophobicContact CZ-CD2 3.82Å; F473-F508 AromaticContact CZ-CE2 3.78Å; F473-F508 HydrophobicContact CZ-CE2 3.78Å; V502-F508 HydrophobicContact CG1-CD2 4.21Å; V502-F508 WeakPolarHBondContact O-CB 3.4Å; T503-F508 HydrophobicContact CG2-CD1 4.44Å; T503-F508 HydrophobicContact CG2-CD2 4.48Å; T503-F508 HydrophobicContact CG2-CE1 3.98Å; T503-F508 HydrophobicContact CG2-CE2 4.03Å; T503-F508 HydrophobicContact CG2-CZ 3.76Å; T505-F508 PolarHBondContact O-N 3.38Å; T505-F508 PolarHBondContact OG1-N 2.85Å; T506-F508 VanDerWaalsContact C-N 3.29Å; T506-F508 PolarHBondContact O-N 2.93Å; F508-L516 HydrophobicContact CE1-CD1 3.8Å; F508-L516 HydrophobicContact CE2-CD1 3.81Å; F508-L516 HydrophobicContact CZ-CD1 3.4Å; F508-L516 VanDerWaalsContact CZ-CD1 3.4Å; F508-F519 HydrophobicContact CE2-CD1 4.2Å; F508-F519 HydrophobicContact CE2-CE1 4.03Å
509W81Confident83.8Confident181 Ų18171.7 Ų71.769%0.68637%0.368SS*.Hα-helixtrans-87.5-14-176.1-67.5106.1000114.6T503 T506 A507T503-W509 PolarHBondContact O-NE1 3.25Å; T506-W509 PolarHBondContact O-N 2.9Å; T506-W509 VanDerWaalsContact O-N 3.16Å; A507-W509 VanDerWaalsContact C-N 3.32Å; A507-W509 PolarHBondContact O-N 3.39Å
510Q79.4Confident83.7Confident158 Ų15874.2 Ų74.274%0.73838%0.381SS*.SBendtrans-94-2.1-177.3-73.2-179-300114.3T506 A507T506-Q510 WeakPolarHBondContact O-CG 3.17Å; T506-Q510 PolarHBondContact O-N 3.05Å; T506-Q510 VanDerWaalsContact O-N 3.17Å; A507-Q510 PolarHBondContact O-N 3.25Å
511I75.9Confident83.7Confident38 Ų3872.3 Ų72.320%0.19537%0.371CS..SBendtrans-93.3160.5-170.8-85.7167.3000113.6F473 A507 G513 L515F473-I511 HydrophobicContact CD1-CB 4.31Å; F473-I511 HydrophobicContact CD1-CD1 3.51Å; F473-I511 HydrophobicContact CD1-CG1 4.45Å; F473-I511 HydrophobicContact CD1-CG2 4.34Å; F473-I511 HydrophobicContact CE1-CB 4.22Å; F473-I511 HydrophobicContact CE1-CD1 4.17Å; F473-I511 HydrophobicContact CE1-CG2 3.89Å; F473-I511 HydrophobicContact CG-CD1 4.45Å; A507-I511 WeakPolarHBondContact O-CD1 3.29Å; I511-G513 PolarHBondContact O-N 3.14Å; I511-L515 HydrophobicContact CG2-CB 4.14Å; I511-L515 HydrophobicContact CG2-CD2 3.57Å; I511-L515 HydrophobicContact CG2-CG 4.49Å
512D75.8Confident83.8Confident100 Ų10070 Ų7054%0.53536%0.358SS..  trans-49.4126.8176.9-176.2-3.2000112.4N514 L515 L516D512-N514 PolarHBondContact O-N 3.1Å; D512-N514 VanDerWaalsContact O-N 3.17Å; D512-N514 PolarHBondContact OD1-N 2.82Å; D512-L515 HydrophobicContact CB-CB 4.49Å; D512-L515 PolarHBondContact O-N 2.84Å; D512-L515 VanDerWaalsContact O-N 3.14Å; D512-L516 PolarHBondContact O-N 3.39Å; D512-L516 VanDerWaalsContact O-N 3.1Å
513G79.1Confident83.8Confident37 Ų3770 Ų7038%0.38136%0.358SS..Hα-helixtrans-61.3-22.6-178.900000114.3I511 K517I511-G513 PolarHBondContact O-N 3.14Å; G513-K517 VanDerWaalsContact O-CG 3.27Å; G513-K517 WeakPolarHBondContact O-CG 3.35Å; G513-K517 PolarHBondContact O-N 2.88Å; G513-K517 VanDerWaalsContact O-N 3.14Å
514N82.8Confident83.6Confident112 Ų11271 Ų7160%0.59937%0.367SS*.Hα-helixtrans-73.1-44.7174.1-73.4-26.4000112D512 L516 K517 D518D512-N514 PolarHBondContact O-N 3.1Å; D512-N514 VanDerWaalsContact O-N 3.17Å; D512-N514 PolarHBondContact OD1-N 2.82Å; N514-L516 VanDerWaalsContact C-N 3.31Å; N514-L516 PolarHBondContact O-N 3.06Å; N514-K517 PolarHBondContact O-N 2.96Å; N514-D518 PolarHBondContact O-N 3.48Å
515L84.8Confident83.5Confident28 Ų2874 Ų7415%0.14737%0.371CS..Hα-helixtrans-62.3-41.7176.1-165.492.3000110.8F473 V480 I511 D512 K517 D518 F519F473-L515 HydrophobicContact CE1-CD2 4.49Å; V480-L515 HydrophobicContact CB-CD1 3.87Å; V480-L515 HydrophobicContact CG1-CD1 3.75Å; V480-L515 HydrophobicContact CG2-CD1 3.88Å; I511-L515 HydrophobicContact CG2-CB 4.14Å; I511-L515 HydrophobicContact CG2-CD2 3.57Å; I511-L515 HydrophobicContact CG2-CG 4.49Å; D512-L515 HydrophobicContact CB-CB 4.49Å; D512-L515 PolarHBondContact O-N 2.84Å; D512-L515 VanDerWaalsContact O-N 3.14Å; L515-K517 PolarHBondContact O-N 3.31Å; L515-D518 PolarHBondContact O-N 2.99Å; L515-F519 WeakPolarHBondContact O-CB 3.39Å; L515-F519 PolarHBondContact O-N 2.97Å
516L85.6Confident83.1Confident35 Ų3577.2 Ų77.218%0.18339%0.394CS..Hα-helixtrans-62.5-42.8177.5-175.864000112.2F473 F508 D512 N514 F519 I520F473-L516 HydrophobicContact CE1-CD1 4.37Å; F473-L516 HydrophobicContact CZ-CD1 4.05Å; F508-L516 HydrophobicContact CE1-CD1 3.8Å; F508-L516 HydrophobicContact CE2-CD1 3.81Å; F508-L516 HydrophobicContact CZ-CD1 3.4Å; F508-L516 VanDerWaalsContact CZ-CD1 3.4Å; D512-L516 PolarHBondContact O-N 3.39Å; D512-L516 VanDerWaalsContact O-N 3.1Å; N514-L516 VanDerWaalsContact C-N 3.31Å; N514-L516 PolarHBondContact O-N 3.06Å; L516-F519 PolarHBondContact O-N 3.22Å; L516-I520 HydrophobicContact CD1-CD1 4.27Å; L516-I520 HydrophobicContact CG-CD1 4.06Å; L516-I520 VanDerWaalsContact O-CG1 3.28Å; L516-I520 WeakPolarHBondContact O-CG1 3.42Å; L516-I520 PolarHBondContact O-N 2.88Å
517K84.7Confident82.9Confident142 Ų14273.3 Ų73.362%0.61738%0.375SS*.Hα-helixtrans-62.4-44.5175.5-78.4172.8-175.7174.50111.9G513 N514 L515 I520 C521G513-K517 VanDerWaalsContact O-CG 3.27Å; G513-K517 WeakPolarHBondContact O-CG 3.35Å; G513-K517 PolarHBondContact O-N 2.88Å; G513-K517 VanDerWaalsContact O-N 3.14Å; N514-K517 PolarHBondContact O-N 2.96Å; L515-K517 PolarHBondContact O-N 3.31Å; K517-I520 PolarHBondContact O-N 3.26Å; K517-C521 WeakPolarHBondContact O-CB 3.25Å; K517-C521 PolarHBondContact O-N 2.94Å; K517-C521 PolarHBondContact O-SG 2.91Å
518D86.8Confident82.6Confident87 Ų8774.4 Ų74.447%0.46538%0.384SS..Hα-helixtrans-64.9-42.7178.2-170.760.5000111.6N514 L515 I520 C521 R522N514-D518 PolarHBondContact O-N 3.48Å; L515-D518 PolarHBondContact O-N 2.99Å; D518-I520 PolarHBondContact O-N 3.08Å; D518-C521 WeakPolarHBondContact O-CB 3.13Å; D518-C521 PolarHBondContact O-N 2.93Å; D518-R522 PolarHBondContact O-N 3.02Å
519F88Confident82.2Confident7 Ų779.1 Ų79.13%0.03140%0.404CS..Hα-helixtrans-56.5-50.2174.4178.2-97.3000112.1F473 L476 F492 C495 V496 L499 F508 L515 L516 C521 R522 A523F473-F519 HydrophobicContact CE2-CB 4.35Å; F473-F519 AromaticContact CE2-CD1 3.74Å; F473-F519 HydrophobicContact CE2-CD1 3.74Å; F473-F519 AromaticContact CE2-CD2 3.76Å; F473-F519 HydrophobicContact CE2-CD2 3.76Å; F473-F519 AromaticContact CE2-CE1 3.93Å; F473-F519 HydrophobicContact CE2-CE1 3.93Å; F473-F519 AromaticContact CE2-CE2 3.94Å; F473-F519 HydrophobicContact CE2-CE2 3.94Å; F473-F519 AromaticContact CE2-CG 3.66Å; F473-F519 HydrophobicContact CE2-CG 3.66Å; F473-F519 HydrophobicContact CE2-CZ 4.02Å; F473-F519 HydrophobicContact CZ-CB 4.15Å; F473-F519 HydrophobicContact CZ-CD1 4.09Å; F473-F519 HydrophobicContact CZ-CD2 4.38Å; F473-F519 AromaticContact CZ-CG 3.93Å; F473-F519 HydrophobicContact CZ-CG 3.93Å; L476-F519 HydrophobicContact CD2-CD2 3.63Å; L476-F519 HydrophobicContact CD2-CE2 3.93Å; F492-F519 AromaticContact CD2-CD2 3.61Å; F492-F519 HydrophobicContact CD2-CD2 3.61Å; F492-F519 AromaticContact CD2-CE2 3.62Å; F492-F519 HydrophobicContact CD2-CE2 3.62Å; F492-F519 AromaticContact CE2-CD2 3.66Å; F492-F519 HydrophobicContact CE2-CD2 3.66Å; F492-F519 AromaticContact CE2-CE2 3.71Å; F492-F519 HydrophobicContact CE2-CE2 3.71Å; C495-F519 HydrophobicContact CB-CE2 3.68Å; C495-F519 HydrophobicContact CB-CZ 3.75Å; V496-F519 HydrophobicContact CG2-CE2 4.45Å; V496-F519 HydrophobicContact CG2-CZ 4.34Å; L499-F519 HydrophobicContact CD1-CE1 3.85Å; L499-F519 HydrophobicContact CD1-CZ 4.04Å; F508-F519 HydrophobicContact CE2-CD1 4.2Å; F508-F519 HydrophobicContact CE2-CE1 4.03Å; L515-F519 WeakPolarHBondContact O-CB 3.39Å; L515-F519 PolarHBondContact O-N 2.97Å; L516-F519 PolarHBondContact O-N 3.22Å; F519-C521 VanDerWaalsContact C-N 3.35Å; F519-C521 PolarHBondContact O-N 2.86Å; F519-R522 PolarHBondContact O-N 3.11Å; F519-A523 HydrophobicContact CE1-CB 4.48Å; F519-A523 VanDerWaalsContact O-CB 3.24Å; F519-A523 WeakPolarHBondContact O-CB 3.03Å; F519-A523 PolarHBondContact O-N 3.32Å
520I86.1Confident81.5Confident75 Ų7579 Ų7939%0.38541%0.409SS..Hα-helixtrans-62.5-43179-67.3166.3000110.6L516 K517 D518 A523 S524 F529L516-I520 HydrophobicContact CD1-CD1 4.27Å; L516-I520 HydrophobicContact CG-CD1 4.06Å; L516-I520 VanDerWaalsContact O-CG1 3.28Å; L516-I520 WeakPolarHBondContact O-CG1 3.42Å; L516-I520 PolarHBondContact O-N 2.88Å; K517-I520 PolarHBondContact O-N 3.26Å; D518-I520 PolarHBondContact O-N 3.08Å; I520-A523 PolarHBondContact O-N 3.35Å; I520-S524 WeakPolarHBondContact O-CB 3.39Å; I520-S524 PolarHBondContact O-N 2.8Å; I520-S524 PolarHBondContact O-OG 3.46Å; I520-F529 HydrophobicContact CG2-CE2 4.3Å; I520-F529 HydrophobicContact CG2-CZ 4.43Å
521C85.4Confident80Confident66 Ų6682.8 Ų82.845%0.44643%0.434SS..Hα-helixtrans-58.9-49.1175.5-77.80000111.7K517 D518 F519 S524 R525K517-C521 WeakPolarHBondContact O-CB 3.25Å; K517-C521 PolarHBondContact O-N 2.94Å; K517-C521 PolarHBondContact O-SG 2.91Å; D518-C521 WeakPolarHBondContact O-CB 3.13Å; D518-C521 PolarHBondContact O-N 2.93Å; F519-C521 VanDerWaalsContact C-N 3.35Å; F519-C521 PolarHBondContact O-N 2.86Å; C521-S524 PolarHBondContact O-N 2.97Å; C521-S524 PolarHBondContact O-OG 3Å; C521-R525 WeakPolarHBondContact O-CG 3.26Å; C521-R525 PolarHBondContact O-N 2.99Å
522R88.8Confident80.2Confident62 Ų6285 Ų8523%0.23445%0.446CS..Hα-helixtrans-63.2-46.6176.2-78.3176.774.61762.9111.9E488 E489 F492 D518 F519 S524 R525 C526E488-R522 IonicContact OE1-CZ 2.81Å; E488-R522 IonicContact OE1-NH1 2.66Å; E488-R522 PolarHBondContact OE1-NH1 3.39Å; E488-R522 IonicContact OE1-NH2 3.83Å; E489-R522 IonicContact OE2-NH2 3.56Å; E489-R522 PolarHBondContact OE2-NH2 3.26Å; E489-R522 VanDerWaalsContact OE2-NH2 3.1Å; F492-R522 HydrophobicContact CE1-CB 4.49Å; F492-R522 HydrophobicContact CE2-CB 3.58Å; F492-R522 HydrophobicContact CZ-CB 3.53Å; D518-R522 PolarHBondContact O-N 3.02Å; F519-R522 PolarHBondContact O-N 3.11Å; R522-S524 VanDerWaalsContact C-N 3.28Å; R522-S524 PolarHBondContact O-N 2.89Å; R522-R525 PolarHBondContact O-N 2.99Å; R522-R525 VanDerWaalsContact O-N 3.13Å; R522-C526 PolarHBondContact O-N 3.16Å; R522-C526 PolarHBondContact O-SG 3.33Å; R522-C526 VanDerWaalsContact O-SG 3.37Å
523A86.3Confident80.5Confident0 Ų084.2 Ų84.20%044%0.441CS..Hα-helixtrans-59.6-38.9178.900000111.9V496 F519 I520 R525 C526 G527 A528 F529V496-A523 HydrophobicContact CG2-CB 4.22Å; F519-A523 HydrophobicContact CE1-CB 4.48Å; F519-A523 VanDerWaalsContact O-CB 3.24Å; F519-A523 WeakPolarHBondContact O-CB 3.03Å; F519-A523 PolarHBondContact O-N 3.32Å; I520-A523 PolarHBondContact O-N 3.35Å; A523-R525 PolarHBondContact O-N 2.84Å; A523-C526 PolarHBondContact O-N 2.94Å; A523-G527 PolarHBondContact O-N 3.16Å; A523-A528 HydrophobicContact CB-CB 4.03Å; A523-A528 VanDerWaalsContact O-CB 3.25Å; A523-A528 WeakPolarHBondContact O-CB 3.21Å; A523-A528 PolarHBondContact O-N 3.08Å; A523-F529 HydrophobicContact CB-CE2 3.9Å; A523-F529 HydrophobicContact CB-CZ 4.27Å
524S82.6Confident80.5Confident64 Ų6486.8 Ų86.845%0.44845%0.445SS..Hα-helixtrans-63.1-39.8175.877.90000113.2I520 C521 R522 C526 G527I520-S524 WeakPolarHBondContact O-CB 3.39Å; I520-S524 PolarHBondContact O-N 2.8Å; I520-S524 PolarHBondContact O-OG 3.46Å; C521-S524 PolarHBondContact O-N 2.97Å; C521-S524 PolarHBondContact O-OG 3Å; R522-S524 VanDerWaalsContact C-N 3.28Å; R522-S524 PolarHBondContact O-N 2.89Å; S524-C526 VanDerWaalsContact C-N 3.32Å; S524-G527 PolarHBondContact O-N 3.43Å
525R83.8Confident80.4Confident214 Ų21485.4 Ų85.481%0.80844%0.436SS*.Hα-helixtrans-68.2-33.4176.4-68.8174.8-178.5178.22.2111.8C521 R522 A523 G527C521-R525 WeakPolarHBondContact O-CG 3.26Å; C521-R525 PolarHBondContact O-N 2.99Å; R522-R525 PolarHBondContact O-N 2.99Å; R522-R525 VanDerWaalsContact O-N 3.13Å; A523-R525 PolarHBondContact O-N 2.84Å; R525-G527 PolarHBondContact O-N 2.79Å
526C80.4Confident80.1Confident85 Ų8588.9 Ų88.957%0.57445%0.454SS*.THydrogen-bonded Turntrans-76.8-1.1175.6-63.90000113.8R522 A523 S524 A528R522-C526 PolarHBondContact O-N 3.16Å; R522-C526 PolarHBondContact O-SG 3.33Å; R522-C526 VanDerWaalsContact O-SG 3.37Å; A523-C526 PolarHBondContact O-N 2.94Å; S524-C526 VanDerWaalsContact C-N 3.32Å; C526-A528 VanDerWaalsContact C-N 3.34Å
527G77Confident79.8Confident25 Ų2592.5 Ų92.526%0.25847%0.472SS..THydrogen-bonded Turntrans77.915178.800000114.5A523 S524 R525 F529 K530A523-G527 PolarHBondContact O-N 3.16Å; S524-G527 PolarHBondContact O-N 3.43Å; R525-G527 PolarHBondContact O-N 2.79Å; G527-F529 PolarHBondContact O-N 3.37Å; G527-K530 PolarHBondContact O-N 3.38Å
528A76.7Confident79.4Confident33 Ų3389 Ų8927%0.27346%0.461SS..THydrogen-bonded Turntrans-62.2-16.4-177.200000114.4V496 L499 A523 C526V496-A528 HydrophobicContact CG1-CB 3.76Å; L499-A528 HydrophobicContact CD2-CB 4.1Å; A523-A528 HydrophobicContact CB-CB 4.03Å; A523-A528 VanDerWaalsContact O-CB 3.25Å; A523-A528 WeakPolarHBondContact O-CB 3.21Å; A523-A528 PolarHBondContact O-N 3.08Å; C526-A528 VanDerWaalsContact C-N 3.34Å
529F74.8Confident78.9Confident112 Ų11289.2 Ų89.249%0.49146%0.461SS..THydrogen-bonded Turntrans-110.710.6178.6-54-71.5000113.5L499 I520 A523 G527L499-F529 HydrophobicContact CD2-CD1 4.25Å; L499-F529 HydrophobicContact CD2-CE1 3.75Å; L499-F529 HydrophobicContact CD2-CZ 4.22Å; I520-F529 HydrophobicContact CG2-CE2 4.3Å; I520-F529 HydrophobicContact CG2-CZ 4.43Å; A523-F529 HydrophobicContact CB-CE2 3.9Å; A523-F529 HydrophobicContact CB-CZ 4.27Å; G527-F529 PolarHBondContact O-N 3.37Å
530K66.2Low78.1Confident178 Ų17896 Ų9677%0.77450%0.497SS*.  trans-85.7119.8172.4-74-176.1176.5178.70108.5G527G527-K530 PolarHBondContact O-N 3.38Å
531N49.2Very low77.4Confident238 Ų23897.9 Ų97.9100%1.27351%0.507SS*.  trans-59.40171.3-76.7-15.9000112

Retrieved 531 of 531 residues in 113.7 ms (Link to these results)

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