A0A087YJ66_POEFO Loading...

Leucine rich repeat containing 43

AlphaFold DB , UniProt , Accession A0A087YJ66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 654 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
1M49.2Very low84.2Confident226 Ų22658.2 Ų58.2100%1.11335%0.347SS*.  0129.90-67.4-163.8176.200107.7
2S59.1Low85Confident103 Ų10364.2 Ų64.272%0.7237%0.365SS*.  trans-69.4130-176.252.70000111.3
3S70.1Confident85.7Confident97 Ų9760.8 Ų60.868%0.67834%0.344SS*.  trans-57.3139.3168.3440000110.2S115S3-S115 VanDerWaalsContact CB-OG 3.25Å; S3-S115 WeakPolarHBondContact CB-OG 3.47Å
4T89.9Confident86.2Confident36 Ų3658.1 Ų58.122%0.22133%0.327CS..EExtended strand (participates in β ladder)trans-120.7133.2178.3-54.60000109.1V8 A9 V114 S115T4-V8 HydrophobicContact CG2-CB 4.21Å; T4-V8 HydrophobicContact CG2-CG1 4.04Å; T4-A9 HydrophobicContact CG2-CB 4.41Å; T4-V114 WeakPolarHBondContact O-CA 3.37Å; T4-S115 PolarHBondContact O-N 3.07Å; T4-S115 VanDerWaalsContact O-N 3.08Å
5T93.3Very high86.6Confident47 Ų4767.5 Ų67.529%0.28836%0.356SS..EExtended strand (participates in β ladder)trans-78.1152.817363.60000110.5S7 V8 A9 F116T5-S7 VanDerWaalsContact C-N 3.31Å; T5-S7 PolarHBondContact O-N 3.32Å; T5-S7 PolarHBondContact OG1-OG 3.33Å; T5-V8 PolarHBondContact O-N 3.39Å; T5-V8 WeakPolarHBondContact OG1-CG2 3.31Å; T5-V8 PolarHBondContact OG1-N 2.8Å; T5-A9 PolarHBondContact O-N 2.77Å; T5-F116 HydrophobicContact CG2-CD1 4.4Å
6L94.7Very high86.9Confident0 Ų071.6 Ų71.60%037%0.365CS..Hα-helixtrans-58.5-44178.9179.856.2000111.6V8 A9 I10 I109 V114 F116 I117 L121 L132L6-V8 VanDerWaalsContact C-N 3.33Å; L6-V8 PolarHBondContact O-N 3.47Å; L6-A9 WeakPolarHBondContact O-CB 3.18Å; L6-A9 PolarHBondContact O-N 3.27Å; L6-A9 VanDerWaalsContact O-N 3.16Å; L6-I10 HydrophobicContact CD1-CD1 3.91Å; L6-I10 HydrophobicContact CD1-CG1 4.09Å; L6-I10 HydrophobicContact CD2-CD1 4.4Å; L6-I10 HydrophobicContact CG-CD1 3.75Å; L6-I10 HydrophobicContact CG-CG1 4.37Å; L6-I10 WeakPolarHBondContact O-CG1 3.36Å; L6-I10 PolarHBondContact O-N 3.04Å; L6-I109 HydrophobicContact CD1-CB 4.24Å; L6-I109 HydrophobicContact CD1-CG1 4.05Å; L6-I109 HydrophobicContact CD1-CG2 4.4Å; L6-V114 HydrophobicContact CB-CG1 3.95Å; L6-V114 HydrophobicContact CD1-CG1 4.45Å; L6-F116 PolarHBondContact N-O 3.07Å; L6-I117 HydrophobicContact CD2-CG1 4.3Å; L6-I117 HydrophobicContact CD2-CG2 4.2Å; L6-L121 HydrophobicContact CD2-CD1 4.02Å; L6-L121 HydrophobicContact CD2-CD2 4.05Å; L6-L132 HydrophobicContact CD1-CD2 3.5Å; L6-L132 VanDerWaalsContact CD1-CD2 3.5Å; L6-L132 HydrophobicContact CD2-CD1 4.14Å; L6-L132 HydrophobicContact CD2-CD2 4.18Å; L6-L132 HydrophobicContact CG-CD2 4.49Å
7S93.1Very high87.2Confident5 Ų567.4 Ų67.44%0.03534%0.344CS..Hα-helixtrans-56.6-42.5176.854.80000114T5 A9 I10 D11 D118T5-S7 VanDerWaalsContact C-N 3.31Å; T5-S7 PolarHBondContact O-N 3.32Å; T5-S7 PolarHBondContact OG1-OG 3.33Å; S7-A9 VanDerWaalsContact C-N 3.32Å; S7-A9 PolarHBondContact O-N 3.06Å; S7-I10 PolarHBondContact O-N 3.45Å; S7-D11 WeakPolarHBondContact O-CB 3.43Å; S7-D11 VanDerWaalsContact O-CG 3.24Å; S7-D11 PolarHBondContact O-N 2.87Å; S7-D118 WeakPolarHBondContact CB-OD1 2.9Å; S7-D118 WeakPolarHBondContact CB-OD2 3.43Å; S7-D118 PolarHBondContact N-OD1 2.84Å; S7-D118 VanDerWaalsContact N-OD1 3.08Å; S7-D118 PolarHBondContact OG-OD1 3.46Å; S7-D118 VanDerWaalsContact OG-OD1 3.08Å; S7-D118 PolarHBondContact OG-OD2 3.07Å
8V94.2Very high87.3Confident77 Ų7766.2 Ų66.247%0.46734%0.342SS..Hα-helixtrans-65.9-38.9179169.80000110.7T4 T5 L6 K12T4-V8 HydrophobicContact CG2-CB 4.21Å; T4-V8 HydrophobicContact CG2-CG1 4.04Å; T5-V8 PolarHBondContact O-N 3.39Å; T5-V8 WeakPolarHBondContact OG1-CG2 3.31Å; T5-V8 PolarHBondContact OG1-N 2.8Å; L6-V8 VanDerWaalsContact C-N 3.33Å; L6-V8 PolarHBondContact O-N 3.47Å; V8-K12 WeakPolarHBondContact O-CB 3.42Å; V8-K12 PolarHBondContact O-N 3.29Å
9A94.6Very high87.4Confident10 Ų1063.5 Ų63.58%0.08333%0.328CS..Hα-helixtrans-64.5-42.3175.800000111.9T4 T5 L6 S7 K13 I109 V114T4-A9 HydrophobicContact CG2-CB 4.41Å; T5-A9 PolarHBondContact O-N 2.77Å; L6-A9 WeakPolarHBondContact O-CB 3.18Å; L6-A9 PolarHBondContact O-N 3.27Å; L6-A9 VanDerWaalsContact O-N 3.16Å; S7-A9 VanDerWaalsContact C-N 3.32Å; S7-A9 PolarHBondContact O-N 3.06Å; A9-K13 PolarHBondContact O-N 3.19Å; A9-I109 HydrophobicContact CB-CG2 3.94Å; A9-V114 HydrophobicContact CB-CG2 3.88Å
10I94.6Very high87.3Confident1 Ų165.5 Ų65.51%0.00534%0.343CS..Hα-helixtrans-67.9-46.5176.6-62.9167.1000110.9L6 S7 K12 K13 I14 I107 I109 L121 F124L6-I10 HydrophobicContact CD1-CD1 3.91Å; L6-I10 HydrophobicContact CD1-CG1 4.09Å; L6-I10 HydrophobicContact CD2-CD1 4.4Å; L6-I10 HydrophobicContact CG-CD1 3.75Å; L6-I10 HydrophobicContact CG-CG1 4.37Å; L6-I10 WeakPolarHBondContact O-CG1 3.36Å; L6-I10 PolarHBondContact O-N 3.04Å; S7-I10 PolarHBondContact O-N 3.45Å; I10-K12 PolarHBondContact O-N 3.08Å; I10-K13 CarbonylContact O-C 3.54Å; I10-K13 WeakPolarHBondContact O-CA 3.48Å; I10-K13 WeakPolarHBondContact O-CB 3.46Å; I10-K13 PolarHBondContact O-N 2.82Å; I10-I14 HydrophobicContact CG2-CD1 3.78Å; I10-I14 HydrophobicContact CG2-CG1 4.2Å; I10-I14 PolarHBondContact O-N 2.97Å; I10-I107 HydrophobicContact CD1-CD1 4.28Å; I10-I107 HydrophobicContact CD1-CG2 4.08Å; I10-I107 HydrophobicContact CG1-CG2 4.05Å; I10-I109 HydrophobicContact CG1-CD1 4.15Å; I10-I109 HydrophobicContact CG1-CG1 3.99Å; I10-L121 HydrophobicContact CD1-CD1 4.26Å; I10-F124 HydrophobicContact CD1-CE2 4.32Å; I10-F124 HydrophobicContact CD1-CZ 4.33Å; I10-F124 HydrophobicContact CG2-CE1 4.1Å; I10-F124 HydrophobicContact CG2-CE2 4.5Å; I10-F124 HydrophobicContact CG2-CZ 3.58Å
11D93.4Very high87.3Confident38 Ų3866.3 Ų66.320%0.20335%0.348CS..Hα-helixtrans-57.8-39.1178.4-77.3-17.5000111.3S7 K13 I14 R15 R120S7-D11 WeakPolarHBondContact O-CB 3.43Å; S7-D11 VanDerWaalsContact O-CG 3.24Å; S7-D11 PolarHBondContact O-N 2.87Å; D11-K13 VanDerWaalsContact C-N 3.29Å; D11-K13 PolarHBondContact O-N 3.43Å; D11-I14 PolarHBondContact O-N 3.46Å; D11-R15 WeakPolarHBondContact O-CB 3.44Å; D11-R15 VanDerWaalsContact O-CG 3.26Å; D11-R15 WeakPolarHBondContact O-CG 3.39Å; D11-R15 PolarHBondContact O-N 3.22Å; D11-R120 IonicContact OD2-NH1 2.78Å; D11-R120 PolarHBondContact OD2-NH1 3.37Å
12K93.8Very high89.1Confident130 Ų13058.5 Ų58.557%0.56531%0.308SS*.Hα-helixtrans-62.7-36.7174.7-172.7175.6-176.7174.30112V8 I10 R16V8-K12 WeakPolarHBondContact O-CB 3.42Å; V8-K12 PolarHBondContact O-N 3.29Å; I10-K12 PolarHBondContact O-N 3.08Å; K12-R16 WeakPolarHBondContact O-CG 3.43Å; K12-R16 PolarHBondContact O-N 3.14Å
13K94Very high90.4Very high21 Ų2153.6 Ų53.69%0.09127%0.273CS..Hα-helixtrans-71.7-43.1176.2-73.3-67.2-172162.70112A9 I10 D11 R15 R16 D75 W77 I109A9-K13 PolarHBondContact O-N 3.19Å; I10-K13 CarbonylContact O-C 3.54Å; I10-K13 WeakPolarHBondContact O-CA 3.48Å; I10-K13 WeakPolarHBondContact O-CB 3.46Å; I10-K13 PolarHBondContact O-N 2.82Å; D11-K13 VanDerWaalsContact C-N 3.29Å; D11-K13 PolarHBondContact O-N 3.43Å; K13-R15 PolarHBondContact O-N 3.42Å; K13-R16 WeakPolarHBondContact O-CB 3.37Å; K13-R16 PolarHBondContact O-N 3.33Å; K13-D75 VanDerWaalsContact NZ-CG 3.28Å; K13-D75 IonicContact NZ-OD1 2.91Å; K13-D75 PolarHBondContact NZ-OD1 2.91Å; K13-D75 IonicContact NZ-OD2 2.88Å; K13-D75 PolarHBondContact NZ-OD2 3.43Å; K13-W77 HydrophobicContact CB-CD2 3.89Å; K13-W77 HydrophobicContact CB-CE3 4.41Å; K13-W77 HydrophobicContact CB-CG 4.14Å; K13-W77 HydrophobicContact CB-CZ2 4.12Å; K13-W77 HydrophobicContact CD-CB 4.28Å; K13-W77 HydrophobicContact CD-CG 3.95Å; K13-W77 HydrophobicContact CG-CB 4.5Å; K13-W77 HydrophobicContact CG-CD2 4.29Å; K13-W77 HydrophobicContact CG-CG 4.09Å; K13-I109 HydrophobicContact CG-CD1 4.05Å
14I93.2Very high91.2Very high22 Ų2249 Ų4911%0.11324%0.241CC..Hα-helixtrans-61.5-44.3175.4-66172.6000110.7I10 D11 R16 L17 W77 I100 L101 F104 F124I10-I14 HydrophobicContact CG2-CD1 3.78Å; I10-I14 HydrophobicContact CG2-CG1 4.2Å; I10-I14 PolarHBondContact O-N 2.97Å; D11-I14 PolarHBondContact O-N 3.46Å; I14-R16 VanDerWaalsContact C-N 3.26Å; I14-R16 PolarHBondContact O-N 3.13Å; I14-L17 VanDerWaalsContact O-CB 3.28Å; I14-L17 WeakPolarHBondContact O-CB 3.26Å; I14-L17 PolarHBondContact O-N 3.14Å; I14-W77 HydrophobicContact CG1-CH2 3.95Å; I14-W77 HydrophobicContact CG1-CZ2 4.33Å; I14-I100 HydrophobicContact CD1-CG2 4.34Å; I14-I100 HydrophobicContact CG2-CG2 3.82Å; I14-L101 HydrophobicContact CD1-CD2 3.98Å; I14-F104 HydrophobicContact CD1-CE2 4.22Å; I14-F104 HydrophobicContact CG1-CE2 4.15Å; I14-F124 HydrophobicContact CD1-CE1 4.44Å; I14-F124 HydrophobicContact CD1-CZ 4.44Å
15R91.8Very high90.7Very high200 Ų20047.5 Ų47.576%0.75523%0.233SC*.Hα-helixtrans-59.6-35.4177.3-73.8178.1-164.7-161.75.2112.9D11 K13 L17 C18D11-R15 WeakPolarHBondContact O-CB 3.44Å; D11-R15 VanDerWaalsContact O-CG 3.26Å; D11-R15 WeakPolarHBondContact O-CG 3.39Å; D11-R15 PolarHBondContact O-N 3.22Å; K13-R15 PolarHBondContact O-N 3.42Å; R15-L17 PolarHBondContact O-N 3.01Å; R15-C18 PolarHBondContact O-N 3.37Å; R15-C18 VanDerWaalsContact O-N 3.14Å
16R91.7Very high90Very high133 Ų13349.8 Ų49.850%0.50224%0.243SC..THydrogen-bonded Turntrans-68.5-14177.3-77177.4174-163.1-4.6114.2K12 K13 I14 C18 D75K12-R16 WeakPolarHBondContact O-CG 3.43Å; K12-R16 PolarHBondContact O-N 3.14Å; K13-R16 WeakPolarHBondContact O-CB 3.37Å; K13-R16 PolarHBondContact O-N 3.33Å; I14-R16 VanDerWaalsContact C-N 3.26Å; I14-R16 PolarHBondContact O-N 3.13Å; R16-C18 PolarHBondContact O-N 3.15Å; R16-D75 IonicContact NH1-OD2 3.98Å
17L91.3Very high89.1Confident0 Ų050.4 Ų50.40%025%0.249CC..THydrogen-bonded Turntrans-71.2-16172.7-60.4-179.6000112.4I14 R15 L19 Y73 W77 A81 L84 R85 F104I14-L17 VanDerWaalsContact O-CB 3.28Å; I14-L17 WeakPolarHBondContact O-CB 3.26Å; I14-L17 PolarHBondContact O-N 3.14Å; R15-L17 PolarHBondContact O-N 3.01Å; L17-L19 HydrophobicContact CB-CD1 4.35Å; L17-L19 HydrophobicContact CB-CD2 3.82Å; L17-L19 HydrophobicContact CB-CG 3.72Å; L17-L19 HydrophobicContact CD1-CD1 4.2Å; L17-L19 HydrophobicContact CD1-CD2 4.33Å; L17-L19 HydrophobicContact CD1-CG 4.38Å; L17-L19 PolarHBondContact O-N 3.16Å; L17-Y73 HydrophobicContact CD2-CD1 4.3Å; L17-Y73 HydrophobicContact CD2-CD2 4.19Å; L17-Y73 HydrophobicContact CD2-CE1 3.75Å; L17-Y73 HydrophobicContact CD2-CE2 3.61Å; L17-Y73 HydrophobicContact CD2-CG 4.49Å; L17-W77 HydrophobicContact CD1-CZ2 4.07Å; L17-W77 HydrophobicContact CG-CZ2 4.5Å; L17-A81 HydrophobicContact CD2-CB 3.83Å; L17-L84 HydrophobicContact CD1-CD2 4.07Å; L17-R85 HydrophobicContact CB-CG 4.12Å; L17-R85 HydrophobicContact CD2-CG 4.28Å; L17-R85 WeakPolarHBondContact O-CD 3.48Å; L17-R85 PolarHBondContact O-NE 3.3Å; L17-F104 HydrophobicContact CD1-CZ 4.08Å
18C89Confident88Confident46 Ų4653 Ų5331%0.31127%0.266SS..  trans51.140.9179.8-71.40000111.9R15 R16 T20 D21 C24R15-C18 PolarHBondContact O-N 3.37Å; R15-C18 VanDerWaalsContact O-N 3.14Å; R16-C18 PolarHBondContact O-N 3.15Å; C18-T20 PolarHBondContact O-N 3.4Å; C18-D21 HydrophobicContact CB-CB 4.12Å; C18-D21 PolarHBondContact O-N 3.07Å; C18-D21 VanDerWaalsContact O-O 3.05Å; C18-C24 WeakPolarHBondContact O-CB 3.45Å
19L88.8Confident87Confident14 Ų1452.3 Ų52.37%0.07326%0.255CS..THydrogen-bonded Turntrans-61.9-16.6-173.8-61.3173.9000113.6L17 G25 L84 R85 A88 F95 I100L17-L19 HydrophobicContact CB-CD1 4.35Å; L17-L19 HydrophobicContact CB-CD2 3.82Å; L17-L19 HydrophobicContact CB-CG 3.72Å; L17-L19 HydrophobicContact CD1-CD1 4.2Å; L17-L19 HydrophobicContact CD1-CD2 4.33Å; L17-L19 HydrophobicContact CD1-CG 4.38Å; L17-L19 PolarHBondContact O-N 3.16Å; L19-G25 WeakPolarHBondContact O-CA 3.33Å; L19-G25 PolarHBondContact O-N 3.14Å; L19-L84 HydrophobicContact CD1-CD2 3.79Å; L19-L84 HydrophobicContact CD1-CG 4.17Å; L19-L84 HydrophobicContact CD2-CD2 4.42Å; L19-L84 HydrophobicContact CD2-CG 4.07Å; L19-R85 HydrophobicContact CD2-CG 3.87Å; L19-A88 HydrophobicContact CD2-CB 4.06Å; L19-F95 HydrophobicContact CB-CD1 4.39Å; L19-F95 HydrophobicContact CD1-CD1 4.22Å; L19-F95 HydrophobicContact CD1-CE1 4.28Å; L19-F95 HydrophobicContact CD2-CE1 4.22Å; L19-I100 HydrophobicContact CD1-CD1 3.81Å; L19-I100 HydrophobicContact CD1-CG1 4.02Å; L19-I100 HydrophobicContact CD1-CG2 4.25Å
20T86.2Confident85.7Confident104 Ų10452.1 Ų52.164%0.63825%0.252SS*.THydrogen-bonded Turntrans-105.7-4.2178.1540000113.6C18C18-T20 PolarHBondContact O-N 3.4Å
21D87.3Confident83.8Confident82 Ų8254.7 Ų54.744%0.43927%0.27SS..SBendtrans-118.2158.5-173.4-44.8-48.9000110.9C18 C24C18-D21 HydrophobicContact CB-CB 4.12Å; C18-D21 PolarHBondContact O-N 3.07Å; C18-D21 VanDerWaalsContact O-O 3.05Å; D21-C24 CarbonylContact C-O 3.56Å; D21-C24 VanDerWaalsContact C-O 3.23Å; D21-C24 CarbonylContact O-C 3.29Å; D21-C24 VanDerWaalsContact O-C 3.29Å; D21-C24 VanDerWaalsContact O-CA 3.31Å; D21-C24 WeakPolarHBondContact O-CA 3.44Å; D21-C24 WeakPolarHBondContact O-CB 3.3Å; D21-C24 PolarHBondContact O-N 3.28Å
22F87.4Confident81.9Confident62 Ų6259.9 Ų59.927%0.27229%0.292SS..THydrogen-bonded Turntrans-50.9134.6177.8-176.9-83.5000112W29 L60 L63 W71F22-W29 HydrophobicContact CB-CD2 4.26Å; F22-W29 HydrophobicContact CB-CH2 4.22Å; F22-W29 HydrophobicContact CB-CZ2 3.91Å; F22-W29 HydrophobicContact CB-CZ3 4.49Å; F22-W29 HydrophobicContact CD2-CB 3.94Å; F22-W29 AromaticContact CD2-CD1 3.61Å; F22-W29 AromaticContact CD2-CD2 3.62Å; F22-W29 HydrophobicContact CD2-CD2 3.62Å; F22-W29 AromaticContact CD2-CE2 3.91Å; F22-W29 HydrophobicContact CD2-CE3 4.2Å; F22-W29 AromaticContact CD2-CG 3.47Å; F22-W29 HydrophobicContact CD2-CG 3.47Å; F22-W29 VanDerWaalsContact CD2-CG 3.47Å; F22-W29 AromaticContact CD2-NE1 3.88Å; F22-W29 HydrophobicContact CE2-CB 3.97Å; F22-W29 AromaticContact CE2-CG 3.95Å; F22-W29 HydrophobicContact CE2-CG 3.95Å; F22-W29 HydrophobicContact CG-CD2 4.44Å; F22-L60 HydrophobicContact CE2-CD2 3.69Å; F22-L60 HydrophobicContact CZ-CD2 3.93Å; F22-L63 HydrophobicContact CE1-CD1 3.93Å; F22-L63 HydrophobicContact CZ-CD1 3.71Å; F22-W71 HydrophobicContact CD1-CD2 4.44Å; F22-W71 AromaticContact CD1-CE2 3.68Å; F22-W71 AromaticContact CD1-CZ2 3.77Å; F22-W71 HydrophobicContact CD1-CZ2 3.77Å; F22-W71 AromaticContact CD1-NE1 3.64Å; F22-W71 HydrophobicContact CE1-CD2 4.12Å; F22-W71 AromaticContact CE1-CE2 3.59Å; F22-W71 HydrophobicContact CE1-CE3 4.45Å; F22-W71 AromaticContact CE1-CH2 3.86Å; F22-W71 HydrophobicContact CE1-CH2 3.86Å; F22-W71 AromaticContact CE1-CZ2 3.45Å; F22-W71 HydrophobicContact CE1-CZ2 3.45Å; F22-W71 VanDerWaalsContact CE1-CZ2 3.45Å; F22-W71 HydrophobicContact CE1-CZ3 4.34Å
23P86.8Confident79.8Confident0 Ų055.6 Ų55.60%027%0.274CS..THydrogen-bonded Turncis-87.4-0.15.235.4-38.3000114.3L60 L63 L64 W71P23-L60 HydrophobicContact CB-CB 4.4Å; P23-L60 HydrophobicContact CB-CD2 3.86Å; P23-L63 HydrophobicContact CB-CD1 4.48Å; P23-L64 HydrophobicContact CG-CD2 3.45Å; P23-L64 VanDerWaalsContact CG-CD2 3.45Å; P23-L64 HydrophobicContact CG-CG 4Å; P23-W71 HydrophobicContact CG-CB 4.03Å; P23-W71 HydrophobicContact CG-CG 4.13Å
24C86.9Confident77.4Confident0 Ų059 Ų590%030%0.298CS..SBendtrans-86.4176.5178.1-61.80000111.7C18 D21 W29 R85 A88C18-C24 WeakPolarHBondContact O-CB 3.45Å; D21-C24 CarbonylContact C-O 3.56Å; D21-C24 VanDerWaalsContact C-O 3.23Å; D21-C24 CarbonylContact O-C 3.29Å; D21-C24 VanDerWaalsContact O-C 3.29Å; D21-C24 VanDerWaalsContact O-CA 3.31Å; D21-C24 WeakPolarHBondContact O-CA 3.44Å; D21-C24 WeakPolarHBondContact O-CB 3.3Å; D21-C24 PolarHBondContact O-N 3.28Å; C24-W29 PolarHBondContact O-NE1 3.27Å; C24-R85 PolarHBondContact SG-O 3.37Å; C24-R85 VanDerWaalsContact SG-O 3.4Å; C24-A88 HydrophobicContact CB-CB 3.89Å
25G79.5Confident74.9Confident5 Ų560.6 Ų60.65%0.05231%0.31CS..SBendtrans79.2-173.1165.500000115.3L19 A88L19-G25 WeakPolarHBondContact O-CA 3.33Å; L19-G25 PolarHBondContact O-N 3.14Å; G25-A88 PolarHBondContact N-O 3.08Å
26I77.5Confident72.8Confident96 Ų9655.6 Ų55.649%0.49231%0.312SS..SBendtrans-92.9114.5179.3-55.8174.8000108.1P92I26-P92 HydrophobicContact CG1-CB 3.73Å; I26-P92 HydrophobicContact CG1-CG 4.31Å
27G75.4Confident70.4Confident13 Ų1357.1 Ų57.113%0.13433%0.325CS..SBendtrans-157.6171.7177.100000113.5W29 V30G27-W29 PolarHBondContact O-N 3.4Å; G27-V30 PolarHBondContact O-N 3.02Å
28P71.6Confident68.2Low59 Ų5964.7 Ų64.738%0.38336%0.355SS..THydrogen-bonded Turntrans-61.9-12.1-178.622.9-33000114.3F41 T54P28-F41 HydrophobicContact CB-CD1 4.31Å; P28-F41 HydrophobicContact CB-CE1 4.05Å; P28-F41 HydrophobicContact CG-CE1 4.13Å; P28-F41 HydrophobicContact CG-CZ 4.38Å; P28-T54 WeakPolarHBondContact O-CG2 3.2Å
29W73.1Confident66Low62 Ų6267.8 Ų67.824%0.23537%0.374CS..THydrogen-bonded Turntrans-83.8-1017850.789.7000114.7F22 C24 G27 E55F22-W29 HydrophobicContact CB-CD2 4.26Å; F22-W29 HydrophobicContact CB-CH2 4.22Å; F22-W29 HydrophobicContact CB-CZ2 3.91Å; F22-W29 HydrophobicContact CB-CZ3 4.49Å; F22-W29 HydrophobicContact CD2-CB 3.94Å; F22-W29 AromaticContact CD2-CD1 3.61Å; F22-W29 AromaticContact CD2-CD2 3.62Å; F22-W29 HydrophobicContact CD2-CD2 3.62Å; F22-W29 AromaticContact CD2-CE2 3.91Å; F22-W29 HydrophobicContact CD2-CE3 4.2Å; F22-W29 AromaticContact CD2-CG 3.47Å; F22-W29 HydrophobicContact CD2-CG 3.47Å; F22-W29 VanDerWaalsContact CD2-CG 3.47Å; F22-W29 AromaticContact CD2-NE1 3.88Å; F22-W29 HydrophobicContact CE2-CB 3.97Å; F22-W29 AromaticContact CE2-CG 3.95Å; F22-W29 HydrophobicContact CE2-CG 3.95Å; F22-W29 HydrophobicContact CG-CD2 4.44Å; C24-W29 PolarHBondContact O-NE1 3.27Å; G27-W29 PolarHBondContact O-N 3.4Å; W29-E55 PolarHBondContact O-N 2.78Å
30V66.1Low63.8Low6 Ų676 Ų764%0.03641%0.405CS..BIsolated β-bridgetrans-99.8109.8-178.2-172.90000110.4G27 F32 H33 L60G27-V30 PolarHBondContact O-N 3.02Å; V30-F32 PolarHBondContact O-N 3.19Å; V30-F32 VanDerWaalsContact O-N 3.08Å; V30-H33 HydrophobicContact CG1-CB 4.43Å; V30-H33 PolarHBondContact O-N 3.35Å; V30-L60 HydrophobicContact CG2-CD1 4.13Å
31S55.6Low61.8Low55 Ų5578 Ų7839%0.38541%0.406SS..THydrogen-bonded Turntrans-59.9-25.4-170.681.80000115.4
32F52.6Low59.4Low148 Ų14881.6 Ų81.665%0.64942%0.417SS*.THydrogen-bonded Turntrans-89-8.1-173.3-73.3-82000114.7V30 P57V30-F32 PolarHBondContact O-N 3.19Å; V30-F32 VanDerWaalsContact O-N 3.08Å; F32-P57 HydrophobicContact CD2-CG 3.85Å; F32-P57 HydrophobicContact CE2-CG 3.83Å
33H50.9Low57Low40 Ų4087.9 Ų87.919%0.18544%0.439CS..  trans-135.246.3-160.5-75.367.9000113.2V30 P35 K93V30-H33 HydrophobicContact CG1-CB 4.43Å; V30-H33 PolarHBondContact O-N 3.35Å; H33-P35 VanDerWaalsContact C-CD 3.45Å; H33-P35 WeakPolarHBondContact O-CD 3.49Å; H33-K93 WeakPolarHBondContact CD2-CE 3.33Å; H33-K93 PolarHBondContact NE2-NZ 3.08Å
34C42.4Very low54.9Low91 Ų9196 Ų9662%0.61548%0.477SS*.  trans-88.290.5160.7-145.90000108.2A36C34-A36 PolarHBondContact O-N 3.25Å
35P42.1Very low52.4Low56 Ų56100.6 Ų100.636%0.36451%0.505SS..  trans-63.7138174.427.5-33.7000108.4H33 Q37 Y38H33-P35 VanDerWaalsContact C-CD 3.45Å; H33-P35 WeakPolarHBondContact O-CD 3.49Å; P35-Q37 HydrophobicContact CB-CB 4.43Å; P35-Q37 PolarHBondContact O-N 3.02Å; P35-Y38 HydrophobicContact CG-CD2 3.94Å; P35-Y38 HydrophobicContact CG-CE2 4.25Å; P35-Y38 PolarHBondContact O-N 3.31Å
36A47.6Very low50.6Low96 Ų96108.5 Ų108.579%0.79354%0.538SS*.THydrogen-bonded Turntrans-59.36.4173.600000114.4C34C34-A36 PolarHBondContact O-N 3.25Å
37Q41.2Very low48.8Very low164 Ų164111.6 Ų111.677%0.76656%0.556SS**THydrogen-bonded Turntrans-100.5-3.1-172.3-143166.729.500114.1P35 P39P35-Q37 HydrophobicContact CB-CB 4.43Å; P35-Q37 PolarHBondContact O-N 3.02Å; Q37-P39 WeakPolarHBondContact O-CD 3.39Å
38Y44.2Very low46.9Very low160 Ų160113.3 Ų113.363%0.62757%0.573SS**  trans-115.388.8168-66.8-76.7000110.1P35 Y40 F41P35-Y38 HydrophobicContact CG-CD2 3.94Å; P35-Y38 HydrophobicContact CG-CE2 4.25Å; P35-Y38 PolarHBondContact O-N 3.31Å; Y38-Y40 PolarHBondContact O-N 3.06Å; Y38-F41 PolarHBondContact O-N 3.29Å
39P42.5Very low45.4Very low110 Ų110116.9 Ų116.971%0.71460%0.597SS**THydrogen-bonded Turntrans-66.4-11.3-177.24.23.1000113.4Q37Q37-P39 WeakPolarHBondContact O-CD 3.39Å
40Y44Very low43.9Very low186 Ų186121.4 Ų121.473%0.72963%0.625SS**THydrogen-bonded Turntrans-78.1-19.9-176.5-137.1-91.6000114.1Y38Y38-Y40 PolarHBondContact O-N 3.06Å
41F42.5Very low43.1Very low148 Ų148128.4 Ų128.465%0.64966%0.658SS**SBendtrans-94.3-5.7176.4-88.2-81.5000113.7P28 Y38P28-F41 HydrophobicContact CB-CD1 4.31Å; P28-F41 HydrophobicContact CB-CE1 4.05Å; P28-F41 HydrophobicContact CG-CE1 4.13Å; P28-F41 HydrophobicContact CG-CZ 4.38Å; Y38-F41 PolarHBondContact O-N 3.29Å
42K37.5Very low42.8Very low157 Ų157129.9 Ų129.968%0.68367%0.673SS**  trans-99.645.5169.4-91.3-173.3177.3-179.90111.1Q44K42-Q44 PolarHBondContact O-N 3.22Å
43R37.8Very low43.1Very low194 Ų194133 Ų13373%0.73268%0.681SS**  trans-81.3105.6156.4-97-173.8-171.71784.7107.1T45R43-T45 VanDerWaalsContact C-N 3.28Å; R43-T45 PolarHBondContact O-N 3.34Å
44Q42.1Very low43.9Very low171 Ų171134.9 Ų134.980%0.79970%0.695SS**  trans-50.497.1160.1-73.9177.6-12.100108.3K42 K46K42-Q44 PolarHBondContact O-N 3.22Å; Q44-K46 PolarHBondContact O-N 3.47Å
45T35.3Very low45.6Very low95 Ų95134 Ų13458%0.58368%0.682SS**  trans-7882.9159.4480000106.2R43 N47R43-T45 VanDerWaalsContact C-N 3.28Å; R43-T45 PolarHBondContact O-N 3.34Å; T45-N47 VanDerWaalsContact C-N 3.35Å; T45-N47 PolarHBondContact O-N 2.9Å; T45-N47 VanDerWaalsContact O-N 3.07Å
46K41.1Very low47.6Very low171 Ų171133.5 Ų133.574%0.74368%0.68SS**SBendtrans-60.1108.5151.6-76.9-178.2175.9178.40105.5Q44Q44-K46 PolarHBondContact O-N 3.47Å
47N39.4Very low49.3Very low162 Ų162130.1 Ų130.187%0.86665%0.65SS**SBendtrans94.893.5171.5-44.6-25.1000115.6T45T45-N47 VanDerWaalsContact C-N 3.35Å; T45-N47 PolarHBondContact O-N 2.9Å; T45-N47 VanDerWaalsContact O-N 3.07Å
48G35.6Very low51.5Low49 Ų49127.6 Ų127.651%0.50564%0.641SS.*  trans169.1138.8163.300000111.2D50G48-D50 VanDerWaalsContact C-N 3.3Å; G48-D50 PolarHBondContact O-N 3.04Å
49P39.7Very low53.6Low134 Ų134122.7 Ų122.787%0.8763%0.628SS**SBendtrans-801.9-171.931.9-33.5000115.5
50D41.9Very low55.8Low156 Ų156117.5 Ų117.583%0.83459%0.594SS**  trans-110.269.7-179.9-82.6-27.7000111.4G48 A52G48-D50 VanDerWaalsContact C-N 3.3Å; G48-D50 PolarHBondContact O-N 3.04Å; D50-A52 PolarHBondContact O-N 3.21Å
51E48.3Very low58Low153 Ų153109 Ų10972%0.71556%0.561SS**  trans-67.5119.2154.3-71.9-177.2166.100107.1R53E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 3.1Å
52A49.9Very low60.3Low86 Ų86106.7 Ų106.771%0.71156%0.556SS**  trans-56.4101.417200000108.1D50 T54D50-A52 PolarHBondContact O-N 3.21Å; A52-T54 PolarHBondContact O-N 3.34Å
53R58.8Low62.9Low215 Ų215101.3 Ų101.381%0.81153%0.534SS*.PPolyproline II helixtrans-60.9116.1-174.5-69.8-176.2178.4-165.8-0.6108E51 E55E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 3.1Å; R53-E55 PolarHBondContact O-N 3.05Å
54T68.1Low65.4Low79 Ų7992.7 Ų92.749%0.48550%0.503SS..PPolyproline II helixtrans-64.4120.4167.7480000107.7P28 A52P28-T54 WeakPolarHBondContact O-CG2 3.2Å; A52-T54 PolarHBondContact O-N 3.34Å
55E77.9Confident67.7Low73 Ų7391 Ų9134%0.34149%0.489SS..BIsolated β-bridgetrans-80147.4176.9-63.8-63.3168.300109.5W29 R53 V59 L60W29-E55 PolarHBondContact O-N 2.78Å; R53-E55 PolarHBondContact O-N 3.05Å; E55-V59 HydrophobicContact CB-CG1 4.49Å; E55-L60 HydrophobicContact CB-CD1 4.49Å; E55-L60 HydrophobicContact CB-CD2 3.85Å; E55-L60 HydrophobicContact CB-CG 3.94Å; E55-L60 HydrophobicContact CG-CD2 4.36Å
56S83.4Confident70.4Confident45 Ų4593 Ų9332%0.31549%0.487SS..PPolyproline II helixtrans-70.6152.5172.474.10000109.9D58 V59 L60S56-D58 PolarHBondContact O-N 2.9Å; S56-D58 VanDerWaalsContact O-N 3.16Å; S56-V59 PolarHBondContact O-N 2.88Å; S56-V59 VanDerWaalsContact O-N 3.14Å; S56-V59 WeakPolarHBondContact OG-CG2 3.15Å; S56-V59 PolarHBondContact OG-N 3.2Å; S56-L60 PolarHBondContact O-N 3.48Å; S56-L60 VanDerWaalsContact O-N 3.15Å
57P83.7Confident72.7Confident25 Ų2589.6 Ų89.616%0.16248%0.482CS..Hα-helixtrans-53.7-34.5174.2-26.435000112.8F32 L60 L61 V89F32-P57 HydrophobicContact CD2-CG 3.85Å; F32-P57 HydrophobicContact CE2-CG 3.83Å; P57-L60 PolarHBondContact O-N 3.12Å; P57-L61 WeakPolarHBondContact O-CB 3.04Å; P57-L61 WeakPolarHBondContact O-CD1 3.49Å; P57-L61 WeakPolarHBondContact O-CG 3.36Å; P57-L61 PolarHBondContact O-N 3.06Å; P57-V89 HydrophobicContact CB-CG1 4.38Å
58D86.9Confident75Confident110 Ų11092.3 Ų92.359%0.58848%0.48SS*.Hα-helixtrans-65.5-43.1179.2-57.3-50.4000112.1S56 L60 L61 D62S56-D58 PolarHBondContact O-N 2.9Å; S56-D58 VanDerWaalsContact O-N 3.16Å; D58-L60 PolarHBondContact O-N 3.43Å; D58-L61 PolarHBondContact O-N 3.46Å; D58-D62 PolarHBondContact O-N 3.5Å
59V88.7Confident77.7Confident58 Ų5890.7 Ų90.735%0.35246%0.461SS..Hα-helixtrans-63.2-43.3175.3174.30000110.7E55 S56 L61 D62 L63E55-V59 HydrophobicContact CB-CG1 4.49Å; S56-V59 PolarHBondContact O-N 2.88Å; S56-V59 VanDerWaalsContact O-N 3.14Å; S56-V59 WeakPolarHBondContact OG-CG2 3.15Å; S56-V59 PolarHBondContact OG-N 3.2Å; V59-L61 VanDerWaalsContact C-N 3.3Å; V59-L61 PolarHBondContact O-N 3.35Å; V59-D62 PolarHBondContact O-N 2.88Å; V59-L63 WeakPolarHBondContact O-CG 3.16Å; V59-L63 PolarHBondContact O-N 3.24Å
60L89.2Confident80Confident0 Ų089.8 Ų89.80%046%0.455CS..Hα-helixtrans-63.9-36.2177.4-64.7175.8000112F22 P23 V30 E55 S56 P57 D58 L63 L64 V89F22-L60 HydrophobicContact CE2-CD2 3.69Å; F22-L60 HydrophobicContact CZ-CD2 3.93Å; P23-L60 HydrophobicContact CB-CB 4.4Å; P23-L60 HydrophobicContact CB-CD2 3.86Å; V30-L60 HydrophobicContact CG2-CD1 4.13Å; E55-L60 HydrophobicContact CB-CD1 4.49Å; E55-L60 HydrophobicContact CB-CD2 3.85Å; E55-L60 HydrophobicContact CB-CG 3.94Å; E55-L60 HydrophobicContact CG-CD2 4.36Å; S56-L60 PolarHBondContact O-N 3.48Å; S56-L60 VanDerWaalsContact O-N 3.15Å; P57-L60 PolarHBondContact O-N 3.12Å; D58-L60 PolarHBondContact O-N 3.43Å; L60-L63 HydrophobicContact CD2-CD1 4.37Å; L60-L63 WeakPolarHBondContact O-CB 3.42Å; L60-L63 PolarHBondContact O-N 3.04Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.01Å; L60-V89 HydrophobicContact CB-CG1 3.66Å; L60-V89 HydrophobicContact CB-CG2 4.47Å; L60-V89 HydrophobicContact CD1-CG1 4.08Å
61L90.8Very high82.2Confident7 Ų786.8 Ų86.84%0.03743%0.432CS..Hα-helixtrans-69.2-38.7174-71166.9000111.9P57 D58 V59 L63 L64 R65 E86 V89 R90P57-L61 WeakPolarHBondContact O-CB 3.04Å; P57-L61 WeakPolarHBondContact O-CD1 3.49Å; P57-L61 WeakPolarHBondContact O-CG 3.36Å; P57-L61 PolarHBondContact O-N 3.06Å; D58-L61 PolarHBondContact O-N 3.46Å; V59-L61 VanDerWaalsContact C-N 3.3Å; V59-L61 PolarHBondContact O-N 3.35Å; L61-L63 VanDerWaalsContact C-N 3.28Å; L61-L63 PolarHBondContact O-N 2.91Å; L61-L64 WeakPolarHBondContact O-CB 3.36Å; L61-L64 PolarHBondContact O-N 3.36Å; L61-R65 WeakPolarHBondContact O-CG 3.28Å; L61-R65 PolarHBondContact O-N 2.73Å; L61-E86 HydrophobicContact CD2-CB 3.69Å; L61-E86 HydrophobicContact CD2-CG 3.81Å; L61-V89 HydrophobicContact CD2-CB 4.24Å; L61-V89 HydrophobicContact CD2-CG1 4.41Å; L61-V89 HydrophobicContact CG-CG1 4.22Å; L61-R90 HydrophobicContact CD1-CG 4.43Å; L61-R90 VanDerWaalsContact CD1-NH2 3.34Å
62D91.1Very high84.1Confident100 Ų10082.8 Ų82.854%0.53541%0.414SS..Hα-helixtrans-61.9-38.6174.5-74.3-17000111.2D58 V59 L64 R65 Y66D58-D62 PolarHBondContact O-N 3.5Å; V59-D62 PolarHBondContact O-N 2.88Å; D62-L64 VanDerWaalsContact C-N 3.26Å; D62-L64 PolarHBondContact O-N 2.58Å; D62-R65 PolarHBondContact O-N 3.03Å; D62-Y66 VanDerWaalsContact O-CB 3.28Å; D62-Y66 WeakPolarHBondContact O-CB 3.48Å; D62-Y66 PolarHBondContact O-N 3.29Å
63L91.3Very high85.7Confident44 Ų4480.1 Ų80.123%0.2339%0.386CS..Hα-helixtrans-61.2-32.9171.9-67.3179000112.7F22 P23 V59 L60 L61 S69 W71F22-L63 HydrophobicContact CE1-CD1 3.93Å; F22-L63 HydrophobicContact CZ-CD1 3.71Å; P23-L63 HydrophobicContact CB-CD1 4.48Å; V59-L63 WeakPolarHBondContact O-CG 3.16Å; V59-L63 PolarHBondContact O-N 3.24Å; L60-L63 HydrophobicContact CD2-CD1 4.37Å; L60-L63 WeakPolarHBondContact O-CB 3.42Å; L60-L63 PolarHBondContact O-N 3.04Å; L61-L63 VanDerWaalsContact C-N 3.28Å; L61-L63 PolarHBondContact O-N 2.91Å; L63-S69 WeakPolarHBondContact O-CB 3.38Å; L63-S69 PolarHBondContact O-OG 3.05Å; L63-W71 HydrophobicContact CB-CE3 4.15Å; L63-W71 HydrophobicContact CD1-CE3 4.13Å; L63-W71 HydrophobicContact CD1-CZ3 4.09Å; L63-W71 HydrophobicContact CD2-CE3 3.97Å; L63-W71 HydrophobicContact CD2-CZ3 3.82Å; L63-W71 HydrophobicContact CG-CE3 4.31Å; L63-W71 HydrophobicContact CG-CZ3 4.45Å
64L91.2Very high87Confident14 Ų1475.8 Ų75.87%0.07338%0.379CS..Hα-helixtrans-75.1-32.3176.5-67.7-176.9000112.8P23 L60 L61 D62 W71 R85 E86 V89P23-L64 HydrophobicContact CG-CD2 3.45Å; P23-L64 VanDerWaalsContact CG-CD2 3.45Å; P23-L64 HydrophobicContact CG-CG 4Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.01Å; L61-L64 WeakPolarHBondContact O-CB 3.36Å; L61-L64 PolarHBondContact O-N 3.36Å; D62-L64 VanDerWaalsContact C-N 3.26Å; D62-L64 PolarHBondContact O-N 2.58Å; L64-W71 HydrophobicContact CD2-CB 4.48Å; L64-R85 HydrophobicContact CD1-CB 4.21Å; L64-R85 VanDerWaalsContact CD2-NH1 3.34Å; L64-E86 HydrophobicContact CD1-CG 4.38Å; L64-V89 HydrophobicContact CD1-CG2 3.72Å
65R90.2Very high87.9Confident134 Ų13474.1 Ų74.151%0.50637%0.367SS..Hα-helixtrans-91.9-27.9-172.6-69170.8176.3-174.4-3.8113.8L61 D62 P67 E86L61-R65 WeakPolarHBondContact O-CG 3.28Å; L61-R65 PolarHBondContact O-N 2.73Å; D62-R65 PolarHBondContact O-N 3.03Å; R65-P67 WeakPolarHBondContact O-CD 3.45Å; R65-E86 IonicContact CZ-OE1 2.72Å; R65-E86 IonicContact CZ-OE2 3.25Å; R65-E86 IonicContact NE-OE1 3.35Å; R65-E86 PolarHBondContact NE-OE1 3.09Å; R65-E86 IonicContact NE-OE2 3.8Å; R65-E86 VanDerWaalsContact NH2-CD 3.32Å; R65-E86 IonicContact NH2-OE1 3.79Å; R65-E86 PolarHBondContact NH2-OE1 3.27Å; R65-E86 IonicContact NH2-OE2 3.33Å; R65-E86 PolarHBondContact NH2-OE2 3.11Å
66Y91.1Very high88.5Confident139 Ų13976.3 Ų76.355%0.54539%0.385SS..  trans-67.8123.8-172.4-172.3-110.1000111.6D62 R68 S69D62-Y66 VanDerWaalsContact O-CB 3.28Å; D62-Y66 WeakPolarHBondContact O-CB 3.48Å; D62-Y66 PolarHBondContact O-N 3.29Å; Y66-R68 VanDerWaalsContact C-N 3.25Å; Y66-R68 HydrophobicContact CD1-CB 4.14Å; Y66-R68 HydrophobicContact CE1-CB 3.71Å; Y66-R68 HydrophobicContact CE1-CG 4.46Å; Y66-R68 PolarHBondContact O-N 3.18Å; Y66-R68 VanDerWaalsContact O-N 3.09Å; Y66-S69 WeakPolarHBondContact O-CB 3.49Å; Y66-S69 PolarHBondContact O-N 3.3Å
67P89.1Confident89Confident99 Ų9974.4 Ų74.464%0.64337%0.371SS*.THydrogen-bonded Turntrans-60.2-26.5-171-28.735.3000116.1R65 M72R65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-M72 WeakPolarHBondContact O-CE 3.48Å
68R88.6Confident89.5Confident219 Ų21973.4 Ų73.483%0.82637%0.365SS*.THydrogen-bonded Turntrans-99.16.6177.2-59.8-177.5179.6-178.40.1112.9Y66Y66-R68 VanDerWaalsContact C-N 3.25Å; Y66-R68 HydrophobicContact CD1-CB 4.14Å; Y66-R68 HydrophobicContact CE1-CB 3.71Å; Y66-R68 HydrophobicContact CE1-CG 4.46Å; Y66-R68 PolarHBondContact O-N 3.18Å; Y66-R68 VanDerWaalsContact O-N 3.09Å
69S90.8Very high89.8Confident14 Ų1471.9 Ų71.910%0.09836%0.361CS..  trans-69.5135.7177.5174.50000110.4L63 Y66 W71 M72L63-S69 WeakPolarHBondContact O-CB 3.38Å; L63-S69 PolarHBondContact O-OG 3.05Å; Y66-S69 WeakPolarHBondContact O-CB 3.49Å; Y66-S69 PolarHBondContact O-N 3.3Å; S69-W71 PolarHBondContact O-N 3.3Å; S69-W71 VanDerWaalsContact O-N 3.14Å; S69-W71 PolarHBondContact OG-N 3.41Å; S69-W71 VanDerWaalsContact OG-N 3.13Å; S69-M72 WeakPolarHBondContact O-CB 3.28Å; S69-M72 PolarHBondContact O-N 2.82Å; S69-M72 VanDerWaalsContact O-N 3.12Å
70P89.1Confident90.1Very high115 Ų11570.4 Ų70.475%0.74735%0.35SS*.THydrogen-bonded Turntrans-58.6-22.5170.9-22.333000113.5
71W88.9Confident90.3Very high94 Ų9470.4 Ų70.436%0.35635%0.35SS..THydrogen-bonded Turntrans-96.81.5-178.9-58.3-76.3000113.7F22 P23 L63 L64 S69 Y73 R85F22-W71 HydrophobicContact CD1-CD2 4.44Å; F22-W71 AromaticContact CD1-CE2 3.68Å; F22-W71 AromaticContact CD1-CZ2 3.77Å; F22-W71 HydrophobicContact CD1-CZ2 3.77Å; F22-W71 AromaticContact CD1-NE1 3.64Å; F22-W71 HydrophobicContact CE1-CD2 4.12Å; F22-W71 AromaticContact CE1-CE2 3.59Å; F22-W71 HydrophobicContact CE1-CE3 4.45Å; F22-W71 AromaticContact CE1-CH2 3.86Å; F22-W71 HydrophobicContact CE1-CH2 3.86Å; F22-W71 AromaticContact CE1-CZ2 3.45Å; F22-W71 HydrophobicContact CE1-CZ2 3.45Å; F22-W71 VanDerWaalsContact CE1-CZ2 3.45Å; F22-W71 HydrophobicContact CE1-CZ3 4.34Å; P23-W71 HydrophobicContact CG-CB 4.03Å; P23-W71 HydrophobicContact CG-CG 4.13Å; L63-W71 HydrophobicContact CB-CE3 4.15Å; L63-W71 HydrophobicContact CD1-CE3 4.13Å; L63-W71 HydrophobicContact CD1-CZ3 4.09Å; L63-W71 HydrophobicContact CD2-CE3 3.97Å; L63-W71 HydrophobicContact CD2-CZ3 3.82Å; L63-W71 HydrophobicContact CG-CE3 4.31Å; L63-W71 HydrophobicContact CG-CZ3 4.45Å; L64-W71 HydrophobicContact CD2-CB 4.48Å; S69-W71 PolarHBondContact O-N 3.3Å; S69-W71 VanDerWaalsContact O-N 3.14Å; S69-W71 PolarHBondContact OG-N 3.41Å; S69-W71 VanDerWaalsContact OG-N 3.13Å; W71-Y73 PolarHBondContact O-N 2.98Å; W71-R85 PolarHBondContact O-NH1 3.45Å; W71-R85 PolarHBondContact O-NH2 2.88Å
72M86.9Confident90.3Very high68 Ų6872.6 Ų72.634%0.33537%0.366SS..  trans-65.9134.1173.1-174.4-85.9-72.300109.5P67 S69 N74P67-M72 WeakPolarHBondContact O-CE 3.48Å; S69-M72 WeakPolarHBondContact O-CB 3.28Å; S69-M72 PolarHBondContact O-N 2.82Å; S69-M72 VanDerWaalsContact O-N 3.12Å; M72-N74 HydrophobicContact CE-CB 4.44Å; M72-N74 HydrophobicContact SD-CB 3.9Å
73Y84.8Confident90.4Very high30 Ų3072 Ų7212%0.11836%0.363CS..  trans-111.4120.9-177.8179.8-91.9000110.4L17 W71 D75 W77 A81L17-Y73 HydrophobicContact CD2-CD1 4.3Å; L17-Y73 HydrophobicContact CD2-CD2 4.19Å; L17-Y73 HydrophobicContact CD2-CE1 3.75Å; L17-Y73 HydrophobicContact CD2-CE2 3.61Å; L17-Y73 HydrophobicContact CD2-CG 4.49Å; W71-Y73 PolarHBondContact O-N 2.98Å; Y73-D75 HydrophobicContact CD1-CB 4.44Å; Y73-D75 HydrophobicContact CD2-CB 4.48Å; Y73-D75 HydrophobicContact CE1-CB 3.63Å; Y73-D75 VanDerWaalsContact CE1-O 3.29Å; Y73-D75 WeakPolarHBondContact CE1-O 3.45Å; Y73-D75 HydrophobicContact CE2-CB 3.7Å; Y73-D75 WeakPolarHBondContact OH-CB 3.34Å; Y73-W77 AromaticContact CZ-NE1 3.82Å; Y73-W77 PolarHBondContact OH-NE1 2.72Å; Y73-A81 HydrophobicContact CE1-CB 3.74Å
74N85.4Confident90.5Very high124 Ų12470 Ų7066%0.66335%0.352SS*.  trans-115.53.8-171.965.1-3000113.8M72 T76M72-N74 HydrophobicContact CE-CB 4.44Å; M72-N74 HydrophobicContact SD-CB 3.9Å; N74-T76 PolarHBondContact O-N 3.33Å
75D86.6Confident90.5Very high45 Ų4570 Ų7024%0.24135%0.352CS..  trans-77.6124.1-172.4-116.42.6000109.8K13 R16 Y73 W77K13-D75 VanDerWaalsContact NZ-CG 3.28Å; K13-D75 IonicContact NZ-OD1 2.91Å; K13-D75 PolarHBondContact NZ-OD1 2.91Å; K13-D75 IonicContact NZ-OD2 2.88Å; K13-D75 PolarHBondContact NZ-OD2 3.43Å; R16-D75 IonicContact NH1-OD2 3.98Å; Y73-D75 HydrophobicContact CD1-CB 4.44Å; Y73-D75 HydrophobicContact CD2-CB 4.48Å; Y73-D75 HydrophobicContact CE1-CB 3.63Å; Y73-D75 VanDerWaalsContact CE1-O 3.29Å; Y73-D75 WeakPolarHBondContact CE1-O 3.45Å; Y73-D75 HydrophobicContact CE2-CB 3.7Å; Y73-D75 WeakPolarHBondContact OH-CB 3.34Å; D75-W77 VanDerWaalsContact C-N 3.35Å; D75-W77 PolarHBondContact O-N 3.29Å
76T90.1Very high90.6Very high118 Ų11865.1 Ų65.172%0.72433%0.334SS*.THydrogen-bonded Turntrans-92.219.6-170.656.40000114.9N74 S78N74-T76 PolarHBondContact O-N 3.33Å; T76-S78 PolarHBondContact O-N 2.87Å
77W93.8Very high90.6Very high6 Ų660.1 Ų60.12%0.02332%0.317CS..THydrogen-bonded Turntrans-69.1-20.6-177.275.1-89.1000112.9K13 I14 L17 Y73 D75 A81 F104 I107 R108K13-W77 HydrophobicContact CB-CD2 3.89Å; K13-W77 HydrophobicContact CB-CE3 4.41Å; K13-W77 HydrophobicContact CB-CG 4.14Å; K13-W77 HydrophobicContact CB-CZ2 4.12Å; K13-W77 HydrophobicContact CD-CB 4.28Å; K13-W77 HydrophobicContact CD-CG 3.95Å; K13-W77 HydrophobicContact CG-CB 4.5Å; K13-W77 HydrophobicContact CG-CD2 4.29Å; K13-W77 HydrophobicContact CG-CG 4.09Å; I14-W77 HydrophobicContact CG1-CH2 3.95Å; I14-W77 HydrophobicContact CG1-CZ2 4.33Å; L17-W77 HydrophobicContact CD1-CZ2 4.07Å; L17-W77 HydrophobicContact CG-CZ2 4.5Å; Y73-W77 AromaticContact CZ-NE1 3.82Å; Y73-W77 PolarHBondContact OH-NE1 2.72Å; D75-W77 VanDerWaalsContact C-N 3.35Å; D75-W77 PolarHBondContact O-N 3.29Å; W77-A81 HydrophobicContact CZ2-CB 4.3Å; W77-F104 AromaticContact CH2-CD1 3.91Å; W77-F104 HydrophobicContact CH2-CD1 3.91Å; W77-F104 HydrophobicContact CH2-CD2 4.24Å; W77-F104 AromaticContact CH2-CE1 3.43Å; W77-F104 HydrophobicContact CH2-CE1 3.43Å; W77-F104 VanDerWaalsContact CH2-CE1 3.43Å; W77-F104 AromaticContact CH2-CE2 3.8Å; W77-F104 HydrophobicContact CH2-CE2 3.8Å; W77-F104 HydrophobicContact CH2-CG 4.29Å; W77-F104 AromaticContact CH2-CZ 3.36Å; W77-F104 HydrophobicContact CH2-CZ 3.36Å; W77-F104 AromaticContact CZ2-CE1 3.89Å; W77-F104 HydrophobicContact CZ2-CE1 3.89Å; W77-F104 AromaticContact CZ2-CZ 3.83Å; W77-F104 HydrophobicContact CZ2-CZ 3.83Å; W77-F104 HydrophobicContact CZ3-CD1 4.23Å; W77-F104 HydrophobicContact CZ3-CE1 4.18Å; W77-F104 HydrophobicContact CZ3-CZ 4.4Å; W77-I107 HydrophobicContact CE3-CG2 4.28Å; W77-I107 HydrophobicContact CZ3-CG1 4.11Å; W77-I107 HydrophobicContact CZ3-CG2 4.37Å; W77-I107 CarbonylContact O-C 3.58Å; W77-R108 WeakPolarHBondContact CA-O 3.48Å; W77-R108 VanDerWaalsContact CB-O 3.23Å; W77-R108 WeakPolarHBondContact CB-O 3.44Å; W77-R108 WeakPolarHBondContact O-CA 3.16Å; W77-R108 WeakPolarHBondContact O-CB 3.4Å; W77-R108 PolarHBondContact O-N 3.39Å
78S95.4Very high90.7Very high4 Ų455.5 Ų55.53%0.02829%0.287CS..  trans-156.7131175.4170.10000108.9T76 Q80 A81 F104 T106T76-S78 PolarHBondContact O-N 2.87Å; S78-Q80 PolarHBondContact O-N 3.04Å; S78-Q80 PolarHBondContact OG-N 3.25Å; S78-Q80 PolarHBondContact OG-OE1 3.48Å; S78-A81 VanDerWaalsContact O-CB 3.29Å; S78-A81 WeakPolarHBondContact O-CB 3.36Å; S78-A81 PolarHBondContact O-N 3.16Å; S78-F104 VanDerWaalsContact OG-CD1 3.3Å; S78-F104 WeakPolarHBondContact OG-CD1 3.46Å; S78-T106 VanDerWaalsContact CB-O 3.25Å; S78-T106 WeakPolarHBondContact CB-O 3.12Å; S78-T106 PolarHBondContact OG-O 3.39Å
79P93.1Very high90.7Very high78 Ų7845.2 Ų45.251%0.50625%0.248SC..THydrogen-bonded Turntrans-63.2-29.5174.524.4-31.1000112.1A81 T106P79-A81 VanDerWaalsContact C-N 3.25Å; P79-A81 PolarHBondContact O-N 3.19Å; P79-T106 HydrophobicContact CG-CG2 4.31Å
80Q94.3Very high90.6Very high27 Ų2750 Ų5013%0.12626%0.264CS..Hα-helixtrans-74.4-11.5179.1-5994.4-27.500113.8S78 S82 D83 L84 Y103 F104 T105 T106S78-Q80 PolarHBondContact O-N 3.04Å; S78-Q80 PolarHBondContact OG-N 3.25Å; S78-Q80 PolarHBondContact OG-OE1 3.48Å; Q80-S82 PolarHBondContact O-N 2.8Å; Q80-D83 PolarHBondContact O-N 3.5Å; Q80-L84 WeakPolarHBondContact O-CB 3.4Å; Q80-L84 PolarHBondContact O-N 3.31Å; Q80-Y103 HydrophobicContact CB-CD1 4.06Å; Q80-Y103 HydrophobicContact CB-CE1 3.76Å; Q80-F104 HydrophobicContact CB-CD1 4.13Å; Q80-F104 HydrophobicContact CB-CE1 4.44Å; Q80-T105 PolarHBondContact NE2-OG1 2.96Å; Q80-T106 VanDerWaalsContact NE2-N 3.16Å; Q80-T106 PolarHBondContact OE1-O 3.45Å
81A93.6Very high90.4Very high0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-62.1-42.1-174.200000113L17 Y73 W77 S78 P79 R85L17-A81 HydrophobicContact CD2-CB 3.83Å; Y73-A81 HydrophobicContact CE1-CB 3.74Å; W77-A81 HydrophobicContact CZ2-CB 4.3Å; S78-A81 VanDerWaalsContact O-CB 3.29Å; S78-A81 WeakPolarHBondContact O-CB 3.36Å; S78-A81 PolarHBondContact O-N 3.16Å; P79-A81 VanDerWaalsContact C-N 3.25Å; P79-A81 PolarHBondContact O-N 3.19Å; A81-R85 PolarHBondContact O-N 3.1Å
82S91.6Very high90.1Very high52 Ų5244 Ų4436%0.36423%0.231SC..Hα-helixtrans-68.4-45.2178.8-59.20000111.4Q80 L84 R85 E86Q80-S82 PolarHBondContact O-N 2.8Å; S82-L84 VanDerWaalsContact C-N 3.28Å; S82-L84 PolarHBondContact O-N 3.22Å; S82-R85 WeakPolarHBondContact O-CB 3.42Å; S82-R85 PolarHBondContact O-N 3.41Å; S82-R85 VanDerWaalsContact O-N 3.08Å; S82-E86 PolarHBondContact O-N 2.99Å; S82-E86 VanDerWaalsContact O-N 3.11Å
83D92Very high89.8Confident89 Ų8948.1 Ų48.148%0.47625%0.247SC..Hα-helixtrans-61.5-37.9177.7-64.1-15000111.8Q80 R85 E86 L87Q80-D83 PolarHBondContact O-N 3.5Å; D83-R85 VanDerWaalsContact C-N 3.3Å; D83-R85 PolarHBondContact O-N 3.36Å; D83-E86 PolarHBondContact O-N 2.95Å; D83-L87 WeakPolarHBondContact O-CB 3.16Å; D83-L87 PolarHBondContact O-N 3.24Å
84L93.3Very high89.6Confident0 Ų054.1 Ų54.10%027%0.269CS..Hα-helixtrans-62.9-36.5175.7-172.860.9000112.1L17 L19 Q80 S82 L87 A88 F95 F99 I100 Y103 F104L17-L84 HydrophobicContact CD1-CD2 4.07Å; L19-L84 HydrophobicContact CD1-CD2 3.79Å; L19-L84 HydrophobicContact CD1-CG 4.17Å; L19-L84 HydrophobicContact CD2-CD2 4.42Å; L19-L84 HydrophobicContact CD2-CG 4.07Å; Q80-L84 WeakPolarHBondContact O-CB 3.4Å; Q80-L84 PolarHBondContact O-N 3.31Å; S82-L84 VanDerWaalsContact C-N 3.28Å; S82-L84 PolarHBondContact O-N 3.22Å; L84-L87 PolarHBondContact O-N 3.16Å; L84-A88 PolarHBondContact O-N 2.56Å; L84-F95 HydrophobicContact CD1-CD1 4.38Å; L84-F95 HydrophobicContact CD1-CE1 3.38Å; L84-F95 HydrophobicContact CD1-CZ 3.77Å; L84-F95 HydrophobicContact CG-CE1 3.84Å; L84-F95 HydrophobicContact CG-CZ 4.46Å; L84-F95 WeakPolarHBondContact O-CZ 3.32Å; L84-F99 HydrophobicContact CD1-CE1 4.17Å; L84-I100 HydrophobicContact CD2-CG2 4.16Å; L84-Y103 HydrophobicContact CB-CD1 3.96Å; L84-Y103 HydrophobicContact CB-CE1 3.66Å; L84-Y103 HydrophobicContact CD1-CD1 3.68Å; L84-Y103 HydrophobicContact CD1-CD2 4.12Å; L84-Y103 HydrophobicContact CD1-CE1 3.89Å; L84-Y103 HydrophobicContact CD1-CE2 4.34Å; L84-Y103 HydrophobicContact CD1-CG 3.8Å; L84-Y103 HydrophobicContact CD2-CD1 4.16Å; L84-Y103 HydrophobicContact CG-CD1 4.13Å; L84-Y103 HydrophobicContact CG-CE1 4.26Å; L84-F104 HydrophobicContact CD2-CE1 4.12Å; L84-F104 HydrophobicContact CD2-CE2 3.98Å; L84-F104 HydrophobicContact CD2-CZ 3.41Å; L84-F104 VanDerWaalsContact CD2-CZ 3.41Å
85R92.5Very high89.5Confident16 Ų1650.1 Ų50.16%0.0625%0.246CC..Hα-helixtrans-68.9-40.7175.4-69.2-176.774.5-139.53.2111.8L17 L19 C24 L64 W71 A81 S82 D83 L87 A88 V89L17-R85 HydrophobicContact CB-CG 4.12Å; L17-R85 HydrophobicContact CD2-CG 4.28Å; L17-R85 WeakPolarHBondContact O-CD 3.48Å; L17-R85 PolarHBondContact O-NE 3.3Å; L19-R85 HydrophobicContact CD2-CG 3.87Å; C24-R85 PolarHBondContact SG-O 3.37Å; C24-R85 VanDerWaalsContact SG-O 3.4Å; L64-R85 HydrophobicContact CD1-CB 4.21Å; L64-R85 VanDerWaalsContact CD2-NH1 3.34Å; W71-R85 PolarHBondContact O-NH1 3.45Å; W71-R85 PolarHBondContact O-NH2 2.88Å; A81-R85 PolarHBondContact O-N 3.1Å; S82-R85 WeakPolarHBondContact O-CB 3.42Å; S82-R85 PolarHBondContact O-N 3.41Å; S82-R85 VanDerWaalsContact O-N 3.08Å; D83-R85 VanDerWaalsContact C-N 3.3Å; D83-R85 PolarHBondContact O-N 3.36Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-A88 WeakPolarHBondContact O-CB 3.41Å; R85-A88 PolarHBondContact O-N 3.05Å; R85-V89 PolarHBondContact O-N 3.39Å
86E91.5Very high89.5Confident30 Ų3050.8 Ų50.814%0.1425%0.254CS..Hα-helixtrans-63.7-41173.9-63.7-161.7176.900111.8L61 L64 R65 S82 D83 A88 V89 R90L61-E86 HydrophobicContact CD2-CB 3.69Å; L61-E86 HydrophobicContact CD2-CG 3.81Å; L64-E86 HydrophobicContact CD1-CG 4.38Å; R65-E86 IonicContact CZ-OE1 2.72Å; R65-E86 IonicContact CZ-OE2 3.25Å; R65-E86 IonicContact NE-OE1 3.35Å; R65-E86 PolarHBondContact NE-OE1 3.09Å; R65-E86 IonicContact NE-OE2 3.8Å; R65-E86 VanDerWaalsContact NH2-CD 3.32Å; R65-E86 IonicContact NH2-OE1 3.79Å; R65-E86 PolarHBondContact NH2-OE1 3.27Å; R65-E86 IonicContact NH2-OE2 3.33Å; R65-E86 PolarHBondContact NH2-OE2 3.11Å; S82-E86 PolarHBondContact O-N 2.99Å; S82-E86 VanDerWaalsContact O-N 3.11Å; D83-E86 PolarHBondContact O-N 2.95Å; E86-A88 PolarHBondContact O-N 3.08Å; E86-V89 WeakPolarHBondContact O-CB 3.31Å; E86-V89 PolarHBondContact O-N 3.08Å; E86-V89 VanDerWaalsContact O-N 3.07Å; E86-R90 PolarHBondContact O-N 3.35Å; E86-R90 VanDerWaalsContact O-N 3.09Å; E86-R90 IonicContact OE2-CZ 3.1Å; E86-R90 IonicContact OE2-NH1 3.97Å; E86-R90 PolarHBondContact OE2-NH1 3.44Å; E86-R90 IonicContact OE2-NH2 2.85Å; E86-R90 PolarHBondContact OE2-NH2 3.2Å
87L91.6Very high89.3Confident35 Ų3553.6 Ų53.618%0.18326%0.257CS..Hα-helixtrans-63-32.7175.3-174.465.8000111.2D83 L84 R85 V89 R90 E91 F95 F99 Y103D83-L87 WeakPolarHBondContact O-CB 3.16Å; D83-L87 PolarHBondContact O-N 3.24Å; L84-L87 PolarHBondContact O-N 3.16Å; R85-L87 VanDerWaalsContact C-N 3.33Å; L87-V89 PolarHBondContact O-N 3.01Å; L87-R90 PolarHBondContact O-N 3Å; L87-E91 HydrophobicContact CD1-CB 4.21Å; L87-E91 HydrophobicContact CD1-CG 4.31Å; L87-E91 PolarHBondContact O-N 3.09Å; L87-F95 VanDerWaalsContact C-CZ 3.49Å; L87-F95 HydrophobicContact CB-CE2 4.37Å; L87-F95 HydrophobicContact CB-CZ 3.9Å; L87-F95 HydrophobicContact CD2-CE2 4.4Å; L87-F95 HydrophobicContact CD2-CZ 4.15Å; L87-F95 HydrophobicContact CG-CE2 3.94Å; L87-F95 HydrophobicContact CG-CZ 3.87Å; L87-F95 WeakPolarHBondContact O-CE2 3.46Å; L87-F99 HydrophobicContact CD2-CE1 3.97Å; L87-F99 HydrophobicContact CD2-CZ 3.76Å; L87-Y103 HydrophobicContact CD2-CE2 4.01Å
88A91Very high89.1Confident1 Ų158 Ų581%0.00828%0.281CS..Hα-helixtrans-67.5-23.7175.100000113.1L19 C24 G25 L84 R85 E86 P92 F95L19-A88 HydrophobicContact CD2-CB 4.06Å; C24-A88 HydrophobicContact CB-CB 3.89Å; G25-A88 PolarHBondContact N-O 3.08Å; L84-A88 PolarHBondContact O-N 2.56Å; R85-A88 WeakPolarHBondContact O-CB 3.41Å; R85-A88 PolarHBondContact O-N 3.05Å; E86-A88 PolarHBondContact O-N 3.08Å; A88-P92 WeakPolarHBondContact O-CB 3.28Å; A88-F95 HydrophobicContact CB-CD1 4.25Å; A88-F95 HydrophobicContact CB-CD2 4.47Å; A88-F95 HydrophobicContact CB-CE1 3.67Å; A88-F95 HydrophobicContact CB-CE2 3.97Å; A88-F95 HydrophobicContact CB-CZ 3.54Å
89V89.5Confident89Confident3 Ų360.9 Ų60.92%0.01829%0.293CS..Hα-helixtrans-79.7-43.9172177.80000110.7P57 L60 L61 L64 R85 E86 L87P57-V89 HydrophobicContact CB-CG1 4.38Å; L60-V89 HydrophobicContact CB-CG1 3.66Å; L60-V89 HydrophobicContact CB-CG2 4.47Å; L60-V89 HydrophobicContact CD1-CG1 4.08Å; L61-V89 HydrophobicContact CD2-CB 4.24Å; L61-V89 HydrophobicContact CD2-CG1 4.41Å; L61-V89 HydrophobicContact CG-CG1 4.22Å; L64-V89 HydrophobicContact CD1-CG2 3.72Å; R85-V89 PolarHBondContact O-N 3.39Å; E86-V89 WeakPolarHBondContact O-CB 3.31Å; E86-V89 PolarHBondContact O-N 3.08Å; E86-V89 VanDerWaalsContact O-N 3.07Å; L87-V89 PolarHBondContact O-N 3.01Å
90R87.3Confident88.9Confident115 Ų11558.3 Ų58.343%0.43427%0.274SS..Hα-helixtrans-75.3-44-175.3-64.9-176.5-177.2105.36.4113.2L61 E86 L87L61-R90 HydrophobicContact CD1-CG 4.43Å; L61-R90 VanDerWaalsContact CD1-NH2 3.34Å; E86-R90 PolarHBondContact O-N 3.35Å; E86-R90 VanDerWaalsContact O-N 3.09Å; E86-R90 IonicContact OE2-CZ 3.1Å; E86-R90 IonicContact OE2-NH1 3.97Å; E86-R90 PolarHBondContact OE2-NH1 3.44Å; E86-R90 IonicContact OE2-NH2 2.85Å; E86-R90 PolarHBondContact OE2-NH2 3.2Å; L87-R90 PolarHBondContact O-N 3Å
91E85.6Confident88.8Confident75 Ų7558 Ų5835%0.3527%0.273SS..  trans-133.558.6-171.9-62.8-174.1-171.800112.6L87 K93 R94 F95L87-E91 HydrophobicContact CD1-CB 4.21Å; L87-E91 HydrophobicContact CD1-CG 4.31Å; L87-E91 PolarHBondContact O-N 3.09Å; E91-K93 PolarHBondContact O-N 3.48Å; E91-R94 HydrophobicContact CB-CG 4.4Å; E91-R94 PolarHBondContact O-N 2.85Å; E91-R94 IonicContact OE1-NH1 3.1Å; E91-R94 WeakPolarHBondContact OE2-CD 3.08Å; E91-R94 IonicContact OE2-CZ 3.54Å; E91-R94 VanDerWaalsContact OE2-CZ 3.25Å; E91-R94 IonicContact OE2-NE 3.72Å; E91-R94 PolarHBondContact OE2-NE 3.04Å; E91-R94 IonicContact OE2-NH1 3.49Å; E91-R94 PolarHBondContact OE2-NH1 2.79Å; E91-F95 WeakPolarHBondContact O-CD2 3.33Å
92P81.4Confident88.7Confident8 Ų860.1 Ų60.15%0.05229%0.285CS..G310 helixtrans-60.9-23.9-17223.4-34.2000114I26 A88 R94I26-P92 HydrophobicContact CG1-CB 3.73Å; I26-P92 HydrophobicContact CG1-CG 4.31Å; A88-P92 WeakPolarHBondContact O-CB 3.28Å; P92-R94 VanDerWaalsContact C-N 3.25Å; P92-R94 PolarHBondContact O-N 2.92Å
93K81.4Confident88.8Confident154 Ų15460.8 Ų60.867%0.6728%0.28SS*.G310 helixtrans-68.3-18.1178.2-71.6173.5172.81530114.2H33 E91 F95H33-K93 WeakPolarHBondContact CD2-CE 3.33Å; H33-K93 PolarHBondContact NE2-NZ 3.08Å; E91-K93 PolarHBondContact O-N 3.48Å; K93-F95 VanDerWaalsContact C-N 3.33Å
94R79.9Confident89Confident156 Ų15656.6 Ų56.659%0.58926%0.257SS*.G310 helixtrans-84.3-6.1-177.7-69.3-155.1171.8157.3-11.9114.1E91 P92 S96 F99E91-R94 HydrophobicContact CB-CG 4.4Å; E91-R94 PolarHBondContact O-N 2.85Å; E91-R94 IonicContact OE1-NH1 3.1Å; E91-R94 WeakPolarHBondContact OE2-CD 3.08Å; E91-R94 IonicContact OE2-CZ 3.54Å; E91-R94 VanDerWaalsContact OE2-CZ 3.25Å; E91-R94 IonicContact OE2-NE 3.72Å; E91-R94 PolarHBondContact OE2-NE 3.04Å; E91-R94 IonicContact OE2-NH1 3.49Å; E91-R94 PolarHBondContact OE2-NH1 2.79Å; P92-R94 VanDerWaalsContact C-N 3.25Å; P92-R94 PolarHBondContact O-N 2.92Å; R94-S96 PolarHBondContact O-N 3.36Å; R94-F99 WeakPolarHBondContact O-CB 3.25Å; R94-F99 VanDerWaalsContact O-CG 3.3Å; R94-F99 WeakPolarHBondContact O-CG 3.4Å
95F83.8Confident89.1Confident41 Ų4158.8 Ų58.818%0.1827%0.271CS..  trans-85.580.3-171.7-75.1-106.1000111.9L19 L84 L87 A88 E91 K93 F99 I100L19-F95 HydrophobicContact CB-CD1 4.39Å; L19-F95 HydrophobicContact CD1-CD1 4.22Å; L19-F95 HydrophobicContact CD1-CE1 4.28Å; L19-F95 HydrophobicContact CD2-CE1 4.22Å; L84-F95 HydrophobicContact CD1-CD1 4.38Å; L84-F95 HydrophobicContact CD1-CE1 3.38Å; L84-F95 HydrophobicContact CD1-CZ 3.77Å; L84-F95 HydrophobicContact CG-CE1 3.84Å; L84-F95 HydrophobicContact CG-CZ 4.46Å; L84-F95 WeakPolarHBondContact O-CZ 3.32Å; L87-F95 VanDerWaalsContact C-CZ 3.49Å; L87-F95 HydrophobicContact CB-CE2 4.37Å; L87-F95 HydrophobicContact CB-CZ 3.9Å; L87-F95 HydrophobicContact CD2-CE2 4.4Å; L87-F95 HydrophobicContact CD2-CZ 4.15Å; L87-F95 HydrophobicContact CG-CE2 3.94Å; L87-F95 HydrophobicContact CG-CZ 3.87Å; L87-F95 WeakPolarHBondContact O-CE2 3.46Å; A88-F95 HydrophobicContact CB-CD1 4.25Å; A88-F95 HydrophobicContact CB-CD2 4.47Å; A88-F95 HydrophobicContact CB-CE1 3.67Å; A88-F95 HydrophobicContact CB-CE2 3.97Å; A88-F95 HydrophobicContact CB-CZ 3.54Å; E91-F95 WeakPolarHBondContact O-CD2 3.33Å; K93-F95 VanDerWaalsContact C-N 3.33Å; F95-F99 HydrophobicContact CZ-CE1 4.39Å; F95-I100 HydrophobicContact CD1-CD1 4.29Å; F95-I100 HydrophobicContact CD1-CG1 4.04Å
96S86.9Confident89.4Confident59 Ų5958.6 Ų58.641%0.41327%0.271SS..  trans-86.8161161.275.80000110.6R94 D98 F99 I100R94-S96 PolarHBondContact O-N 3.36Å; S96-D98 PolarHBondContact O-N 2.83Å; S96-F99 WeakPolarHBondContact O-CB 3.32Å; S96-F99 PolarHBondContact O-N 2.68Å; S96-F99 WeakPolarHBondContact OG-CB 3.44Å; S96-F99 PolarHBondContact OG-N 3.34Å; S96-I100 WeakPolarHBondContact O-CG1 3.35Å; S96-I100 PolarHBondContact O-N 3.45Å; S96-I100 VanDerWaalsContact O-N 3.1Å
97K86.8Confident89.6Confident177 Ų17757.1 Ų57.177%0.7727%0.265SS*.Hα-helixtrans-55.9-42.9174.3-72.4-177.9180175.10111.3I100 L101K97-I100 PolarHBondContact O-N 3.26Å; K97-L101 VanDerWaalsContact O-CG 3.31Å; K97-L101 WeakPolarHBondContact O-CG 3.07Å; K97-L101 PolarHBondContact O-N 3.16Å; K97-L101 VanDerWaalsContact O-N 3.1Å
98D89.5Confident89.9Confident99 Ų9960.4 Ų60.453%0.52928%0.275SS..Hα-helixtrans-70.4-33.8-179.7-57.4-40.5000112.4S96 N102S96-D98 PolarHBondContact O-N 2.83Å; D98-N102 VanDerWaalsContact O-CB 3.28Å; D98-N102 WeakPolarHBondContact O-CB 3.29Å; D98-N102 VanDerWaalsContact O-CG 3.32Å; D98-N102 PolarHBondContact O-N 2.63Å; D98-N102 PolarHBondContact O-ND2 3.42Å
99F91.6Very high90.1Very high63 Ų6360.5 Ų60.528%0.27628%0.275SS..Hα-helixtrans-60.5-47.8173177.9-94.1000110.9L84 L87 R94 F95 S96 L101 N102 Y103L84-F99 HydrophobicContact CD1-CE1 4.17Å; L87-F99 HydrophobicContact CD2-CE1 3.97Å; L87-F99 HydrophobicContact CD2-CZ 3.76Å; R94-F99 WeakPolarHBondContact O-CB 3.25Å; R94-F99 VanDerWaalsContact O-CG 3.3Å; R94-F99 WeakPolarHBondContact O-CG 3.4Å; F95-F99 HydrophobicContact CZ-CE1 4.39Å; S96-F99 WeakPolarHBondContact O-CB 3.32Å; S96-F99 PolarHBondContact O-N 2.68Å; S96-F99 WeakPolarHBondContact OG-CB 3.44Å; S96-F99 PolarHBondContact OG-N 3.34Å; F99-L101 PolarHBondContact O-N 2.96Å; F99-N102 CarbonylContact O-C 3.23Å; F99-N102 PolarHBondContact O-N 3.43Å; F99-Y103 HydrophobicContact CE1-CD2 4.22Å; F99-Y103 HydrophobicContact CZ-CD2 4.07Å; F99-Y103 WeakPolarHBondContact O-CB 3.32Å; F99-Y103 PolarHBondContact O-N 3.34Å
100I91.5Very high90.4Very high24 Ų2463.7 Ų63.712%0.12330%0.295CS..Hα-helixtrans-61-47.8179.9-65.5162.9000110.7I14 L19 L84 F95 S96 K97 N102 Y103 F104I14-I100 HydrophobicContact CD1-CG2 4.34Å; I14-I100 HydrophobicContact CG2-CG2 3.82Å; L19-I100 HydrophobicContact CD1-CD1 3.81Å; L19-I100 HydrophobicContact CD1-CG1 4.02Å; L19-I100 HydrophobicContact CD1-CG2 4.25Å; L84-I100 HydrophobicContact CD2-CG2 4.16Å; F95-I100 HydrophobicContact CD1-CD1 4.29Å; F95-I100 HydrophobicContact CD1-CG1 4.04Å; S96-I100 WeakPolarHBondContact O-CG1 3.35Å; S96-I100 PolarHBondContact O-N 3.45Å; S96-I100 VanDerWaalsContact O-N 3.1Å; K97-I100 PolarHBondContact O-N 3.26Å; I100-N102 VanDerWaalsContact C-N 3.3Å; I100-N102 PolarHBondContact O-N 2.94Å; I100-Y103 WeakPolarHBondContact O-CB 3.3Å; I100-Y103 PolarHBondContact O-N 3.34Å; I100-F104 HydrophobicContact CG2-CE2 3.86Å; I100-F104 WeakPolarHBondContact O-CD2 3.29Å; I100-F104 VanDerWaalsContact O-CE2 3.32Å; I100-F104 WeakPolarHBondContact O-CE2 3.43Å
101L91.7Very high90.6Very high20 Ų2060.4 Ų60.411%0.10530%0.297CS..Hα-helixtrans-64.6-35.3-179.6-63173.4000112I14 K97 F99 Y103 K123 F124I14-L101 HydrophobicContact CD1-CD2 3.98Å; K97-L101 VanDerWaalsContact O-CG 3.31Å; K97-L101 WeakPolarHBondContact O-CG 3.07Å; K97-L101 PolarHBondContact O-N 3.16Å; K97-L101 VanDerWaalsContact O-N 3.1Å; F99-L101 PolarHBondContact O-N 2.96Å; L101-Y103 VanDerWaalsContact C-N 3.33Å; L101-K123 HydrophobicContact CD1-CB 4.06Å; L101-K123 HydrophobicContact CD1-CD 4.07Å; L101-F124 HydrophobicContact CB-CD1 4.38Å; L101-F124 HydrophobicContact CB-CE1 4.32Å; L101-F124 HydrophobicContact CD2-CD1 4.37Å; L101-F124 HydrophobicContact CD2-CE1 3.54Å; L101-F124 HydrophobicContact CD2-CE2 3.99Å; L101-F124 HydrophobicContact CD2-CZ 3.31Å; L101-F124 WeakPolarHBondContact O-CD1 3.37Å
102N91.9Very high91Very high46 Ų4661.8 Ų61.825%0.24630%0.301CS..THydrogen-bonded Turntrans-86.62.7178.4-68.2-44.8000114.4D98 F99 I100 K123 S125 K126D98-N102 VanDerWaalsContact O-CB 3.28Å; D98-N102 WeakPolarHBondContact O-CB 3.29Å; D98-N102 VanDerWaalsContact O-CG 3.32Å; D98-N102 PolarHBondContact O-N 2.63Å; D98-N102 PolarHBondContact O-ND2 3.42Å; F99-N102 CarbonylContact O-C 3.23Å; F99-N102 PolarHBondContact O-N 3.43Å; I100-N102 VanDerWaalsContact C-N 3.3Å; I100-N102 PolarHBondContact O-N 2.94Å; N102-K123 PolarHBondContact OD1-O 3Å; N102-S125 WeakPolarHBondContact OD1-CB 3.24Å; N102-S125 PolarHBondContact OD1-N 3.44Å; N102-S125 PolarHBondContact OD1-OG 3.43Å; N102-K126 VanDerWaalsContact O-CD 3.26Å; N102-K126 WeakPolarHBondContact O-CD 3.23Å
103Y93.8Very high91.5Very high66 Ų6664.8 Ų64.826%0.25932%0.317SS..THydrogen-bonded Turntrans-84.5-33.1177.3-171-99.7000112.3Q80 L84 L87 F99 I100 L101Q80-Y103 HydrophobicContact CB-CD1 4.06Å; Q80-Y103 HydrophobicContact CB-CE1 3.76Å; L84-Y103 HydrophobicContact CB-CD1 3.96Å; L84-Y103 HydrophobicContact CB-CE1 3.66Å; L84-Y103 HydrophobicContact CD1-CD1 3.68Å; L84-Y103 HydrophobicContact CD1-CD2 4.12Å; L84-Y103 HydrophobicContact CD1-CE1 3.89Å; L84-Y103 HydrophobicContact CD1-CE2 4.34Å; L84-Y103 HydrophobicContact CD1-CG 3.8Å; L84-Y103 HydrophobicContact CD2-CD1 4.16Å; L84-Y103 HydrophobicContact CG-CD1 4.13Å; L84-Y103 HydrophobicContact CG-CE1 4.26Å; L87-Y103 HydrophobicContact CD2-CE2 4.01Å; F99-Y103 HydrophobicContact CE1-CD2 4.22Å; F99-Y103 HydrophobicContact CZ-CD2 4.07Å; F99-Y103 WeakPolarHBondContact O-CB 3.32Å; F99-Y103 PolarHBondContact O-N 3.34Å; I100-Y103 WeakPolarHBondContact O-CB 3.3Å; I100-Y103 PolarHBondContact O-N 3.34Å; L101-Y103 VanDerWaalsContact C-N 3.33Å
104F95.8Very high92.1Very high0 Ų057.4 Ų57.40%029%0.285CS..  trans-80.4123.3-174.3-62.2-70.8000111.9I14 L17 W77 S78 Q80 L84 I100 I107 F124I14-F104 HydrophobicContact CD1-CE2 4.22Å; I14-F104 HydrophobicContact CG1-CE2 4.15Å; L17-F104 HydrophobicContact CD1-CZ 4.08Å; W77-F104 AromaticContact CH2-CD1 3.91Å; W77-F104 HydrophobicContact CH2-CD1 3.91Å; W77-F104 HydrophobicContact CH2-CD2 4.24Å; W77-F104 AromaticContact CH2-CE1 3.43Å; W77-F104 HydrophobicContact CH2-CE1 3.43Å; W77-F104 VanDerWaalsContact CH2-CE1 3.43Å; W77-F104 AromaticContact CH2-CE2 3.8Å; W77-F104 HydrophobicContact CH2-CE2 3.8Å; W77-F104 HydrophobicContact CH2-CG 4.29Å; W77-F104 AromaticContact CH2-CZ 3.36Å; W77-F104 HydrophobicContact CH2-CZ 3.36Å; W77-F104 AromaticContact CZ2-CE1 3.89Å; W77-F104 HydrophobicContact CZ2-CE1 3.89Å; W77-F104 AromaticContact CZ2-CZ 3.83Å; W77-F104 HydrophobicContact CZ2-CZ 3.83Å; W77-F104 HydrophobicContact CZ3-CD1 4.23Å; W77-F104 HydrophobicContact CZ3-CE1 4.18Å; W77-F104 HydrophobicContact CZ3-CZ 4.4Å; S78-F104 VanDerWaalsContact OG-CD1 3.3Å; S78-F104 WeakPolarHBondContact OG-CD1 3.46Å; Q80-F104 HydrophobicContact CB-CD1 4.13Å; Q80-F104 HydrophobicContact CB-CE1 4.44Å; L84-F104 HydrophobicContact CD2-CE1 4.12Å; L84-F104 HydrophobicContact CD2-CE2 3.98Å; L84-F104 HydrophobicContact CD2-CZ 3.41Å; L84-F104 VanDerWaalsContact CD2-CZ 3.41Å; I100-F104 HydrophobicContact CG2-CE2 3.86Å; I100-F104 WeakPolarHBondContact O-CD2 3.29Å; I100-F104 VanDerWaalsContact O-CE2 3.32Å; I100-F104 WeakPolarHBondContact O-CE2 3.43Å; F104-I107 HydrophobicContact CB-CD1 4.25Å; F104-I107 HydrophobicContact CB-CG1 4.1Å; F104-F124 HydrophobicContact CD2-CE1 4.3Å
105T96.8Very high92.8Very high46 Ų4651.6 Ų51.628%0.28227%0.268SS..SBendtrans-101.1-15.6167.878.10000112.3Q80 K126 E128 E129Q80-T105 PolarHBondContact NE2-OG1 2.96Å; T105-K126 WeakPolarHBondContact CA-O 3.37Å; T105-K126 WeakPolarHBondContact CB-O 3.21Å; T105-K126 HydrophobicContact CG2-CB 4.37Å; T105-K126 WeakPolarHBondContact CG2-O 3.46Å; T105-E128 PolarHBondContact O-N 3.26Å; T105-E129 PolarHBondContact O-N 2.83Å
106T97.4Very high93.2Very high12 Ų1254.5 Ų54.57%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-132.7126.1178.9-60.60000110.4S78 P79 Q80 R108 E129S78-T106 VanDerWaalsContact CB-O 3.25Å; S78-T106 WeakPolarHBondContact CB-O 3.12Å; S78-T106 PolarHBondContact OG-O 3.39Å; P79-T106 HydrophobicContact CG-CG2 4.31Å; Q80-T106 VanDerWaalsContact NE2-N 3.16Å; Q80-T106 PolarHBondContact OE1-O 3.45Å; T106-R108 HydrophobicContact CG2-CG 4.09Å; T106-E129 WeakPolarHBondContact CA-O 3.36Å; T106-E129 HydrophobicContact CG2-CB 3.99Å; T106-E129 HydrophobicContact CG2-CG 3.87Å; T106-E129 WeakPolarHBondContact CG2-OE1 3.41Å; T106-E129 WeakPolarHBondContact CG2-OE2 3.34Å; T106-E129 PolarHBondContact OG1-OE2 3.44Å
107I97.1Very high93.5Very high0 Ų051.7 Ų51.70%026%0.261CS..EExtended strand (participates in β ladder)trans-130.2127.3176.4-63.8-179.9000109.6I10 W77 F104 I109 F124 L127 E129 L130 V131I10-I107 HydrophobicContact CD1-CD1 4.28Å; I10-I107 HydrophobicContact CD1-CG2 4.08Å; I10-I107 HydrophobicContact CG1-CG2 4.05Å; W77-I107 HydrophobicContact CE3-CG2 4.28Å; W77-I107 HydrophobicContact CZ3-CG1 4.11Å; W77-I107 HydrophobicContact CZ3-CG2 4.37Å; W77-I107 CarbonylContact O-C 3.58Å; F104-I107 HydrophobicContact CB-CD1 4.25Å; F104-I107 HydrophobicContact CB-CG1 4.1Å; I107-I109 HydrophobicContact CG2-CD1 4.33Å; I107-I109 HydrophobicContact CG2-CG1 3.89Å; I107-F124 HydrophobicContact CD1-CD1 3.56Å; I107-F124 HydrophobicContact CD1-CE1 3.62Å; I107-F124 HydrophobicContact CD1-CG 4.14Å; I107-F124 HydrophobicContact CD1-CZ 4.23Å; I107-L127 HydrophobicContact CB-CD1 3.98Å; I107-L127 HydrophobicContact CD1-CD1 3.75Å; I107-L127 HydrophobicContact CD1-CD2 4.41Å; I107-L127 HydrophobicContact CG1-CD1 3.59Å; I107-E129 PolarHBondContact N-O 2.8Å; I107-L130 HydrophobicContact CB-CD1 4.22Å; I107-L130 HydrophobicContact CG2-CD1 4.19Å; I107-L130 WeakPolarHBondContact O-CA 3.26Å; I107-V131 PolarHBondContact O-N 2.98Å
108R97.3Very high93.8Very high104 Ų10444.3 Ų44.339%0.39223%0.23SC..EExtended strand (participates in β ladder)trans-125.9106.8-178.8-50.3-176.2171.1168.9-2.2110.5W77 T106 E129 V131W77-R108 WeakPolarHBondContact CA-O 3.48Å; W77-R108 VanDerWaalsContact CB-O 3.23Å; W77-R108 WeakPolarHBondContact CB-O 3.44Å; W77-R108 WeakPolarHBondContact O-CA 3.16Å; W77-R108 WeakPolarHBondContact O-CB 3.4Å; W77-R108 PolarHBondContact O-N 3.39Å; T106-R108 HydrophobicContact CG2-CG 4.09Å; R108-E129 IonicContact CZ-OE1 2.7Å; R108-E129 IonicContact NE-OE1 3.51Å; R108-E129 PolarHBondContact NE-OE1 3.33Å; R108-E129 IonicContact NH2-OE1 3.66Å; R108-E129 PolarHBondContact NH2-OE1 3.42Å; R108-E129 IonicContact NH2-OE2 2.73Å; R108-V131 CarbonylContact C-O 3.36Å; R108-V131 WeakPolarHBondContact CA-O 3.21Å; R108-V131 HydrophobicContact CB-CB 4.03Å; R108-V131 HydrophobicContact CG-CB 3.89Å; R108-V131 HydrophobicContact CG-CG2 3.92Å
109I96.3Very high93.9Very high2 Ų246.2 Ų46.21%0.0124%0.236CC..  trans-118.692.6178.4-56.1-62.2000108.1L6 A9 I10 K13 I107 K112 V114 V131 L132 N135L6-I109 HydrophobicContact CD1-CB 4.24Å; L6-I109 HydrophobicContact CD1-CG1 4.05Å; L6-I109 HydrophobicContact CD1-CG2 4.4Å; A9-I109 HydrophobicContact CB-CG2 3.94Å; I10-I109 HydrophobicContact CG1-CD1 4.15Å; I10-I109 HydrophobicContact CG1-CG1 3.99Å; K13-I109 HydrophobicContact CG-CD1 4.05Å; I107-I109 HydrophobicContact CG2-CD1 4.33Å; I107-I109 HydrophobicContact CG2-CG1 3.89Å; I109-K112 HydrophobicContact CG2-CB 3.86Å; I109-K112 HydrophobicContact CG2-CG 3.74Å; I109-V114 HydrophobicContact CG2-CG2 3.93Å; I109-V131 PolarHBondContact N-O 3.12Å; I109-L132 HydrophobicContact CB-CD2 3.99Å; I109-L132 WeakPolarHBondContact O-CA 3.4Å; I109-N135 PolarHBondContact O-ND2 2.96Å
110T95.2Very high94Very high71 Ų7147.9 Ų47.944%0.43624%0.241SC..  trans-109137.2-177.856.60000112K112 V131 S133T110-K112 WeakPolarHBondContact O-CE 3.44Å; T110-K112 WeakPolarHBondContact O-CG 3.43Å; T110-K112 PolarHBondContact O-N 3.35Å; T110-V131 HydrophobicContact CG2-CG1 4Å; T110-S133 WeakPolarHBondContact CA-O 3.4Å; T110-S133 WeakPolarHBondContact CB-O 3.46Å
111G92.1Very high94.1Very high46 Ų4646.9 Ų46.947%0.47424%0.235SC..SBendtrans63.135.417400000114.5S133 G134G111-S133 PolarHBondContact N-O 2.66Å; G111-G134 VanDerWaalsContact CA-O 3.24Å; G111-G134 WeakPolarHBondContact CA-O 3.36Å; G111-G134 PolarHBondContact N-O 2.97Å
112K92.4Very high94.1Very high103 Ų10350 Ų5045%0.44825%0.252SS..SBendtrans-110.816.6-176.6-57.4-53.4170.6-1600113.8I109 T110 V114 N135I109-K112 HydrophobicContact CG2-CB 3.86Å; I109-K112 HydrophobicContact CG2-CG 3.74Å; T110-K112 WeakPolarHBondContact O-CE 3.44Å; T110-K112 WeakPolarHBondContact O-CG 3.43Å; T110-K112 PolarHBondContact O-N 3.35Å; K112-V114 HydrophobicContact CB-CG2 4.22Å; K112-V114 PolarHBondContact O-N 2.6Å; K112-V114 VanDerWaalsContact O-N 3.16Å; K112-N135 PolarHBondContact N-OD1 3.09Å
113N92.9Very high94.2Very high71 Ų7153.2 Ų53.238%0.3826%0.263SS..  trans53.732.6-179.9-59.6-28.9000112.7S115 N135 L136N113-S115 PolarHBondContact O-N 3.22Å; N113-N135 PolarHBondContact N-OD1 3.13Å; N113-L136 HydrophobicContact CB-CD1 3.93Å
114V94.4Very high94.2Very high0 Ų050.2 Ų50.20%025%0.252CS..EExtended strand (participates in β ladder)trans-69.1129175177.10000108.2T4 L6 A9 I109 K112 N135 L136 I137T4-V114 WeakPolarHBondContact O-CA 3.37Å; L6-V114 HydrophobicContact CB-CG1 3.95Å; L6-V114 HydrophobicContact CD1-CG1 4.45Å; A9-V114 HydrophobicContact CB-CG2 3.88Å; I109-V114 HydrophobicContact CG2-CG2 3.93Å; K112-V114 HydrophobicContact CB-CG2 4.22Å; K112-V114 PolarHBondContact O-N 2.6Å; K112-V114 VanDerWaalsContact O-N 3.16Å; V114-N135 HydrophobicContact CB-CB 4.15Å; V114-N135 PolarHBondContact N-OD1 3.26Å; V114-N135 WeakPolarHBondContact O-CB 3.39Å; V114-L136 CarbonylContact O-C 3.58Å; V114-L136 WeakPolarHBondContact O-CA 3.28Å; V114-L136 PolarHBondContact O-N 3.02Å; V114-I137 HydrophobicContact CG1-CD1 4.49Å; V114-I137 HydrophobicContact CG1-CG1 4.39Å; V114-I137 WeakPolarHBondContact O-CG1 3.14Å; V114-I137 PolarHBondContact O-N 2.84Å
115S93.3Very high94Very high34 Ų3453.2 Ų53.224%0.23827%0.273CS..EExtended strand (participates in β ladder)trans-115.6-17.4-179.961.80000113.5S3 T4 N113S3-S115 VanDerWaalsContact CB-OG 3.25Å; S3-S115 WeakPolarHBondContact CB-OG 3.47Å; T4-S115 PolarHBondContact O-N 3.07Å; T4-S115 VanDerWaalsContact O-N 3.08Å; N113-S115 PolarHBondContact O-N 3.22Å
116F92.4Very high94Very high101 Ų10157 Ų5744%0.44329%0.286SS..EExtended strand (participates in β ladder)trans-141136.2-173.2-173.9-103.1000111.9T5 L6 D118T5-F116 HydrophobicContact CG2-CD1 4.4Å; L6-F116 PolarHBondContact N-O 3.07Å; F116-D118 HydrophobicContact CD1-CB 4.04Å; F116-D118 HydrophobicContact CE1-CB 3.84Å
117I92.8Very high94Very high0 Ų056.5 Ų56.50%028%0.282CS..  trans-99.8112.9173-58175.1000108L6 L121 L132 I137 I140 H144 L145L6-I117 HydrophobicContact CD2-CG1 4.3Å; L6-I117 HydrophobicContact CD2-CG2 4.2Å; I117-L121 HydrophobicContact CG2-CD2 3.86Å; I117-L132 HydrophobicContact CD1-CD1 3.95Å; I117-L132 HydrophobicContact CG1-CD1 4.44Å; I117-I137 HydrophobicContact CD1-CD1 4.34Å; I117-I137 HydrophobicContact CG1-CD1 4.37Å; I117-I140 HydrophobicContact CD1-CG1 4.19Å; I117-I140 HydrophobicContact CD1-CG2 4.17Å; I117-H144 HydrophobicContact CG2-CB 4.18Å; I117-H144 PolarHBondContact O-ND1 3.11Å; I117-L145 HydrophobicContact CG2-CD2 4.43Å
118D92.8Very high94Very high22 Ų2260 Ų6012%0.11830%0.298CS..  trans-96.2160.1-178.762.2-52.8000113.1S7 F116 R120 L121S7-D118 WeakPolarHBondContact CB-OD1 2.9Å; S7-D118 WeakPolarHBondContact CB-OD2 3.43Å; S7-D118 PolarHBondContact N-OD1 2.84Å; S7-D118 VanDerWaalsContact N-OD1 3.08Å; S7-D118 PolarHBondContact OG-OD1 3.46Å; S7-D118 VanDerWaalsContact OG-OD1 3.08Å; S7-D118 PolarHBondContact OG-OD2 3.07Å; F116-D118 HydrophobicContact CD1-CB 4.04Å; F116-D118 HydrophobicContact CE1-CB 3.84Å; D118-R120 PolarHBondContact O-N 3.02Å; D118-R120 WeakPolarHBondContact OD2-CB 3.44Å; D118-L121 PolarHBondContact O-N 3.31Å; D118-L121 VanDerWaalsContact O-N 3.16Å
119E93.3Very high94Very high140 Ų14056.6 Ų56.665%0.65429%0.287SS*.G310 helixtrans-57.3-19.6-178.163.5179.9-167.200114.5L121 L122E119-L121 PolarHBondContact O-N 3.35Å; E119-L121 VanDerWaalsContact O-N 3.11Å; E119-L122 VanDerWaalsContact O-CB 3.28Å; E119-L122 WeakPolarHBondContact O-CB 3.43Å; E119-L122 WeakPolarHBondContact O-CG 3.4Å; E119-L122 PolarHBondContact O-N 3.16Å
120R92.4Very high94.1Very high98 Ų9856.5 Ų56.537%0.3729%0.287SS..G310 helixtrans-61.4-22.5178.5-166.8-178.2-58.2-180-1.6112.1D11 D118 L122 K123D11-R120 IonicContact OD2-NH1 2.78Å; D11-R120 PolarHBondContact OD2-NH1 3.37Å; D118-R120 PolarHBondContact O-N 3.02Å; D118-R120 WeakPolarHBondContact OD2-CB 3.44Å; R120-L122 PolarHBondContact O-N 3.15Å; R120-K123 HydrophobicContact CG-CD 3.98Å; R120-K123 HydrophobicContact CG-CG 4.36Å; R120-K123 VanDerWaalsContact O-CB 3.32Å; R120-K123 WeakPolarHBondContact O-CB 3.35Å; R120-K123 WeakPolarHBondContact O-CG 3.25Å; R120-K123 PolarHBondContact O-N 3.28Å
121L93.2Very high94.2Very high3 Ų354 Ų542%0.01627%0.271CS..G310 helixtrans-58.6-27.3175-171.967.4000112.2L6 I10 I117 D118 E119 K123 F124 L127 L130 L145 P146L6-L121 HydrophobicContact CD2-CD1 4.02Å; L6-L121 HydrophobicContact CD2-CD2 4.05Å; I10-L121 HydrophobicContact CD1-CD1 4.26Å; I117-L121 HydrophobicContact CG2-CD2 3.86Å; D118-L121 PolarHBondContact O-N 3.31Å; D118-L121 VanDerWaalsContact O-N 3.16Å; E119-L121 PolarHBondContact O-N 3.35Å; E119-L121 VanDerWaalsContact O-N 3.11Å; L121-K123 PolarHBondContact O-N 3.49Å; L121-K123 VanDerWaalsContact O-N 3.15Å; L121-F124 HydrophobicContact CD1-CD2 4.14Å; L121-F124 WeakPolarHBondContact O-CD2 3.44Å; L121-F124 PolarHBondContact O-N 2.71Å; L121-F124 VanDerWaalsContact O-N 3.09Å; L121-L127 HydrophobicContact CD1-CD2 3.87Å; L121-L127 HydrophobicContact CG-CD2 4.48Å; L121-L130 HydrophobicContact CD2-CD2 3.74Å; L121-L145 HydrophobicContact CD2-CD2 3.88Å; L121-P146 HydrophobicContact CG-CG 4.32Å
122L93.3Very high94.5Very high85 Ų8551.9 Ų51.945%0.44525%0.249SC..G310 helixtrans-63.1-18.5174.8-62.2173.5000113.5E119 R120 F124E119-L122 VanDerWaalsContact O-CB 3.28Å; E119-L122 WeakPolarHBondContact O-CB 3.43Å; E119-L122 WeakPolarHBondContact O-CG 3.4Å; E119-L122 PolarHBondContact O-N 3.16Å; R120-L122 PolarHBondContact O-N 3.15Å; L122-F124 PolarHBondContact O-N 2.73Å
123K92.8Very high94.7Very high114 Ų11448.2 Ų48.250%0.49624%0.236SC..G310 helixtrans-70-17.5175.1-62.1-168.1179-168.90113.2L101 N102 R120 L121 S125L101-K123 HydrophobicContact CD1-CB 4.06Å; L101-K123 HydrophobicContact CD1-CD 4.07Å; N102-K123 PolarHBondContact OD1-O 3Å; R120-K123 HydrophobicContact CG-CD 3.98Å; R120-K123 HydrophobicContact CG-CG 4.36Å; R120-K123 VanDerWaalsContact O-CB 3.32Å; R120-K123 WeakPolarHBondContact O-CB 3.35Å; R120-K123 WeakPolarHBondContact O-CG 3.25Å; R120-K123 PolarHBondContact O-N 3.28Å; L121-K123 PolarHBondContact O-N 3.49Å; L121-K123 VanDerWaalsContact O-N 3.15Å; K123-S125 VanDerWaalsContact C-N 3.28Å; K123-S125 PolarHBondContact O-N 3.46Å; K123-S125 VanDerWaalsContact O-N 3.13Å
124F94.3Very high94.8Very high2 Ų246.5 Ų46.51%0.00924%0.235CC..  trans-86.670176.8-61.9-95.5000109.5I10 I14 L101 F104 I107 L121 L122 K126 L127I10-F124 HydrophobicContact CD1-CE2 4.32Å; I10-F124 HydrophobicContact CD1-CZ 4.33Å; I10-F124 HydrophobicContact CG2-CE1 4.1Å; I10-F124 HydrophobicContact CG2-CE2 4.5Å; I10-F124 HydrophobicContact CG2-CZ 3.58Å; I14-F124 HydrophobicContact CD1-CE1 4.44Å; I14-F124 HydrophobicContact CD1-CZ 4.44Å; L101-F124 HydrophobicContact CB-CD1 4.38Å; L101-F124 HydrophobicContact CB-CE1 4.32Å; L101-F124 HydrophobicContact CD2-CD1 4.37Å; L101-F124 HydrophobicContact CD2-CE1 3.54Å; L101-F124 HydrophobicContact CD2-CE2 3.99Å; L101-F124 HydrophobicContact CD2-CZ 3.31Å; L101-F124 WeakPolarHBondContact O-CD1 3.37Å; F104-F124 HydrophobicContact CD2-CE1 4.3Å; I107-F124 HydrophobicContact CD1-CD1 3.56Å; I107-F124 HydrophobicContact CD1-CE1 3.62Å; I107-F124 HydrophobicContact CD1-CG 4.14Å; I107-F124 HydrophobicContact CD1-CZ 4.23Å; L121-F124 HydrophobicContact CD1-CD2 4.14Å; L121-F124 WeakPolarHBondContact O-CD2 3.44Å; L121-F124 PolarHBondContact O-N 2.71Å; L121-F124 VanDerWaalsContact O-N 3.09Å; L122-F124 PolarHBondContact O-N 2.73Å; F124-K126 PolarHBondContact O-N 2.69Å; F124-L127 HydrophobicContact CB-CB 3.91Å; F124-L127 HydrophobicContact CB-CD2 4.34Å; F124-L127 VanDerWaalsContact O-CB 3.27Å; F124-L127 WeakPolarHBondContact O-CB 3.41Å; F124-L127 PolarHBondContact O-N 2.85Å
125S92.6Very high94.9Very high64 Ų6446.7 Ų46.745%0.44824%0.237SC..THydrogen-bonded Turntrans-66.9-10.6-17067.20000115.4N102 K123 T148N102-S125 WeakPolarHBondContact OD1-CB 3.24Å; N102-S125 PolarHBondContact OD1-N 3.44Å; N102-S125 PolarHBondContact OD1-OG 3.43Å; K123-S125 VanDerWaalsContact C-N 3.28Å; K123-S125 PolarHBondContact O-N 3.46Å; K123-S125 VanDerWaalsContact O-N 3.13Å; S125-T148 VanDerWaalsContact O-CG2 3.31Å; S125-T148 WeakPolarHBondContact O-CG2 3.17Å
126K95.3Very high95Very high126 Ų12647.9 Ų47.955%0.54824%0.24SC..THydrogen-bonded Turntrans-110.410.7176.3-57.3-164.7-169.9170.20113.3N102 T105 F124 E128N102-K126 VanDerWaalsContact O-CD 3.26Å; N102-K126 WeakPolarHBondContact O-CD 3.23Å; T105-K126 WeakPolarHBondContact CA-O 3.37Å; T105-K126 WeakPolarHBondContact CB-O 3.21Å; T105-K126 HydrophobicContact CG2-CB 4.37Å; T105-K126 WeakPolarHBondContact CG2-O 3.46Å; F124-K126 PolarHBondContact O-N 2.69Å; K126-E128 PolarHBondContact O-N 2.75Å
127L97.1Very high95.2Very high0 Ų043.1 Ų43.10%022%0.219CC..  trans-69.8121.8-177.1-171.165.7000110.6I107 L121 F124 E129 L130 P146 T148 L149I107-L127 HydrophobicContact CB-CD1 3.98Å; I107-L127 HydrophobicContact CD1-CD1 3.75Å; I107-L127 HydrophobicContact CD1-CD2 4.41Å; I107-L127 HydrophobicContact CG1-CD1 3.59Å; L121-L127 HydrophobicContact CD1-CD2 3.87Å; L121-L127 HydrophobicContact CG-CD2 4.48Å; F124-L127 HydrophobicContact CB-CB 3.91Å; F124-L127 HydrophobicContact CB-CD2 4.34Å; F124-L127 VanDerWaalsContact O-CB 3.27Å; F124-L127 WeakPolarHBondContact O-CB 3.41Å; F124-L127 PolarHBondContact O-N 2.85Å; L127-E129 WeakPolarHBondContact CD1-O 3.46Å; L127-L130 HydrophobicContact CD2-CB 4.37Å; L127-L130 HydrophobicContact CD2-CD1 4.45Å; L127-P146 HydrophobicContact CB-CG 4.36Å; L127-P146 HydrophobicContact CD2-CG 4.34Å; L127-T148 CarbonylContact O-C 3.59Å; L127-T148 WeakPolarHBondContact O-CB 3.48Å; L127-T148 PolarHBondContact O-OG1 3.21Å; L127-L149 HydrophobicContact CD2-CD1 4.34Å; L127-L149 HydrophobicContact CG-CD1 4.12Å; L127-L149 PolarHBondContact O-N 2.79Å
128E97.7Very high95.2Very high73 Ų7346.5 Ų46.534%0.34124%0.242SC..  trans-112.8-31.2179.4-58.1-165.3161.600112.2T105 K126 K150 I151T105-E128 PolarHBondContact O-N 3.26Å; K126-E128 PolarHBondContact O-N 2.75Å; E128-K150 HydrophobicContact CB-CD 4.37Å; E128-K150 HydrophobicContact CB-CG 4.49Å; E128-K150 WeakPolarHBondContact O-CA 3.37Å; E128-K150 PolarHBondContact O-N 3.38Å; E128-K150 IonicContact OE1-NZ 3.34Å; E128-K150 PolarHBondContact OE1-NZ 2.88Å; E128-K150 IonicContact OE2-NZ 2.96Å; E128-K150 PolarHBondContact OE2-NZ 2.89Å; E128-I151 PolarHBondContact O-N 2.89Å
129E98.3Very high95.1Very high34 Ų3451.3 Ų51.316%0.15926%0.264CS..EExtended strand (participates in β ladder)trans-125.8123.9-178.8178.6-172.2153.500111.1T105 T106 I107 R108 L127 V131 I151T105-E129 PolarHBondContact O-N 2.83Å; T106-E129 WeakPolarHBondContact CA-O 3.36Å; T106-E129 HydrophobicContact CG2-CB 3.99Å; T106-E129 HydrophobicContact CG2-CG 3.87Å; T106-E129 WeakPolarHBondContact CG2-OE1 3.41Å; T106-E129 WeakPolarHBondContact CG2-OE2 3.34Å; T106-E129 PolarHBondContact OG1-OE2 3.44Å; I107-E129 PolarHBondContact N-O 2.8Å; R108-E129 IonicContact CZ-OE1 2.7Å; R108-E129 IonicContact NE-OE1 3.51Å; R108-E129 PolarHBondContact NE-OE1 3.33Å; R108-E129 IonicContact NH2-OE1 3.66Å; R108-E129 PolarHBondContact NH2-OE1 3.42Å; R108-E129 IonicContact NH2-OE2 2.73Å; L127-E129 WeakPolarHBondContact CD1-O 3.46Å; E129-V131 HydrophobicContact CG-CG2 4.15Å; E129-I151 WeakPolarHBondContact CA-O 3.42Å; E129-I151 HydrophobicContact CB-CB 4.13Å; E129-I151 HydrophobicContact CG-CB 3.98Å; E129-I151 HydrophobicContact CG-CD1 4.36Å; E129-I151 HydrophobicContact CG-CG2 3.96Å
130L97.8Very high95Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-127.6114176.7-178.159000110.4I107 L121 L127 L132 L145 L149 I151 L152 E153I107-L130 HydrophobicContact CB-CD1 4.22Å; I107-L130 HydrophobicContact CG2-CD1 4.19Å; I107-L130 WeakPolarHBondContact O-CA 3.26Å; L121-L130 HydrophobicContact CD2-CD2 3.74Å; L127-L130 HydrophobicContact CD2-CB 4.37Å; L127-L130 HydrophobicContact CD2-CD1 4.45Å; L130-L132 HydrophobicContact CD1-CD1 4.37Å; L130-L132 HydrophobicContact CD1-CD2 3.92Å; L130-L132 HydrophobicContact CD1-CG 4.04Å; L130-L132 HydrophobicContact CD2-CD1 3.95Å; L130-L132 HydrophobicContact CD2-CG 4.43Å; L130-L132 HydrophobicContact CG-CD1 4Å; L130-L132 HydrophobicContact CG-CD2 4.37Å; L130-L132 HydrophobicContact CG-CG 3.92Å; L130-L145 HydrophobicContact CD2-CD2 4.43Å; L130-L149 HydrophobicContact CB-CD1 3.71Å; L130-L149 HydrophobicContact CB-CD2 4.44Å; L130-I151 PolarHBondContact N-O 3.28Å; L130-L152 HydrophobicContact CB-CD1 4.23Å; L130-L152 HydrophobicContact CD2-CD1 4.1Å; L130-L152 HydrophobicContact CG-CD1 4.24Å; L130-L152 WeakPolarHBondContact O-CA 3.45Å; L130-E153 PolarHBondContact O-N 2.78Å
131V97.9Very high94.9Very high19 Ų1941 Ų4112%0.11522%0.222CC..EExtended strand (participates in β ladder)trans-111.5117.1178.6-178.50000109.8I107 R108 I109 T110 E129 E153I107-V131 PolarHBondContact O-N 2.98Å; R108-V131 CarbonylContact C-O 3.36Å; R108-V131 WeakPolarHBondContact CA-O 3.21Å; R108-V131 HydrophobicContact CB-CB 4.03Å; R108-V131 HydrophobicContact CG-CB 3.89Å; R108-V131 HydrophobicContact CG-CG2 3.92Å; I109-V131 PolarHBondContact N-O 3.12Å; T110-V131 HydrophobicContact CG2-CG1 4Å; E129-V131 HydrophobicContact CG-CG2 4.15Å; V131-E153 HydrophobicContact CB-CB 4.35Å; V131-E153 HydrophobicContact CG1-CB 4.16Å; V131-E153 HydrophobicContact CG1-CG 3.87Å; V131-E153 HydrophobicContact CG2-CB 4.16Å
132L97Very high94.7Very high0 Ų041 Ų410%022%0.223CC..  trans-125.227.6-175.5-61.9177.9000112.2L6 I109 I117 L130 N135 I137 E153 L154 N157L6-L132 HydrophobicContact CD1-CD2 3.5Å; L6-L132 VanDerWaalsContact CD1-CD2 3.5Å; L6-L132 HydrophobicContact CD2-CD1 4.14Å; L6-L132 HydrophobicContact CD2-CD2 4.18Å; L6-L132 HydrophobicContact CG-CD2 4.49Å; I109-L132 HydrophobicContact CB-CD2 3.99Å; I109-L132 WeakPolarHBondContact O-CA 3.4Å; I117-L132 HydrophobicContact CD1-CD1 3.95Å; I117-L132 HydrophobicContact CG1-CD1 4.44Å; L130-L132 HydrophobicContact CD1-CD1 4.37Å; L130-L132 HydrophobicContact CD1-CD2 3.92Å; L130-L132 HydrophobicContact CD1-CG 4.04Å; L130-L132 HydrophobicContact CD2-CD1 3.95Å; L130-L132 HydrophobicContact CD2-CG 4.43Å; L130-L132 HydrophobicContact CG-CD1 4Å; L130-L132 HydrophobicContact CG-CD2 4.37Å; L130-L132 HydrophobicContact CG-CG 3.92Å; L132-N135 VanDerWaalsContact C-ND2 3.3Å; L132-N135 PolarHBondContact O-ND2 3.14Å; L132-I137 HydrophobicContact CB-CD1 3.99Å; L132-I137 HydrophobicContact CD1-CD1 3.78Å; L132-I137 HydrophobicContact CG-CD1 4.42Å; L132-E153 PolarHBondContact N-O 2.96Å; L132-L154 HydrophobicContact CB-CD2 4.1Å; L132-L154 HydrophobicContact CD1-CD2 4.03Å; L132-N157 PolarHBondContact O-ND2 3.43Å
133S97.1Very high94.6Very high26 Ų2644.3 Ų44.318%0.18223%0.233CC..THydrogen-bonded Turntrans-63.3142.9-175.8-40.90000113.5T110 G111 E153 R155T110-S133 WeakPolarHBondContact CA-O 3.4Å; T110-S133 WeakPolarHBondContact CB-O 3.46Å; G111-S133 PolarHBondContact N-O 2.66Å; S133-E153 VanDerWaalsContact OG-CG 3.26Å; S133-E153 WeakPolarHBondContact OG-CG 3.27Å; S133-R155 CarbonylContact C-O 3.33Å; S133-R155 WeakPolarHBondContact CA-O 3.37Å
134G95.7Very high94.6Very high35 Ų3540 Ų4036%0.36122%0.215SC..THydrogen-bonded Turntrans70.731.8174.600000113.7G111 R155 A156G111-G134 VanDerWaalsContact CA-O 3.24Å; G111-G134 WeakPolarHBondContact CA-O 3.36Å; G111-G134 PolarHBondContact N-O 2.97Å; G134-R155 PolarHBondContact N-O 3.05Å; G134-A156 CarbonylContact C-O 3.58Å; G134-A156 WeakPolarHBondContact CA-O 3.31Å; G134-A156 PolarHBondContact N-O 3.06Å
135N96.3Very high94.6Very high5 Ų540.1 Ų40.13%0.02722%0.215CC..SBendtrans-104.9-166.7174.5-73.4-61.9000110.6I109 K112 N113 V114 L132 I137 A156 N157I109-N135 PolarHBondContact O-ND2 2.96Å; K112-N135 PolarHBondContact N-OD1 3.09Å; N113-N135 PolarHBondContact N-OD1 3.13Å; V114-N135 HydrophobicContact CB-CB 4.15Å; V114-N135 PolarHBondContact N-OD1 3.26Å; V114-N135 WeakPolarHBondContact O-CB 3.39Å; L132-N135 VanDerWaalsContact C-ND2 3.3Å; L132-N135 PolarHBondContact O-ND2 3.14Å; N135-I137 HydrophobicContact CB-CD1 4.33Å; N135-I137 HydrophobicContact CB-CG1 4.19Å; N135-A156 PolarHBondContact N-O 3.48Å; N135-N157 WeakPolarHBondContact CA-OD1 3.32Å; N135-N157 WeakPolarHBondContact CB-OD1 3.39Å; N135-N157 PolarHBondContact N-OD1 3.33Å; N135-N157 PolarHBondContact O-OD1 2.86Å
136L95.8Very high94.7Very high59 Ų5937.4 Ų37.431%0.30920%0.196SC..  trans-118.129.7-174.8-54.3176.7000111.1N113 V114 S138 N157N113-L136 HydrophobicContact CB-CD1 3.93Å; V114-L136 CarbonylContact O-C 3.58Å; V114-L136 WeakPolarHBondContact O-CA 3.28Å; V114-L136 PolarHBondContact O-N 3.02Å; L136-S138 PolarHBondContact O-N 3.06Å; L136-N157 PolarHBondContact N-OD1 2.93Å
137I95.4Very high94.6Very high0 Ų037 Ų370%020%0.2CC..  trans-74.8124.7-175.1-57170.4000108.9V114 I117 L132 N135 E139 I140 L154 N157 R158 L159V114-I137 HydrophobicContact CG1-CD1 4.49Å; V114-I137 HydrophobicContact CG1-CG1 4.39Å; V114-I137 WeakPolarHBondContact O-CG1 3.14Å; V114-I137 PolarHBondContact O-N 2.84Å; I117-I137 HydrophobicContact CD1-CD1 4.34Å; I117-I137 HydrophobicContact CG1-CD1 4.37Å; L132-I137 HydrophobicContact CB-CD1 3.99Å; L132-I137 HydrophobicContact CD1-CD1 3.78Å; L132-I137 HydrophobicContact CG-CD1 4.42Å; N135-I137 HydrophobicContact CB-CD1 4.33Å; N135-I137 HydrophobicContact CB-CG1 4.19Å; I137-E139 VanDerWaalsContact CG2-O 3.32Å; I137-E139 WeakPolarHBondContact CG2-O 3.39Å; I137-I140 HydrophobicContact CG2-CG1 4.07Å; I137-L154 HydrophobicContact CD1-CD2 4.28Å; I137-N157 HydrophobicContact CB-CB 4.36Å; I137-N157 WeakPolarHBondContact CB-OD1 3.34Å; I137-N157 WeakPolarHBondContact CG1-OD1 3.27Å; I137-N157 PolarHBondContact N-OD1 3.37Å; I137-N157 VanDerWaalsContact N-OD1 3.12Å; I137-R158 CarbonylContact O-C 3.57Å; I137-R158 VanDerWaalsContact O-C 3.29Å; I137-R158 WeakPolarHBondContact O-CA 3.41Å; I137-R158 PolarHBondContact O-N 3.11Å; I137-L159 HydrophobicContact CG2-CD2 4.11Å; I137-L159 PolarHBondContact O-N 3.24Å
138S93.8Very high94.5Very high71 Ų7139.3 Ų39.350%0.49721%0.214SC..  trans-104.4-24.4178.355.30000113.8L136L136-S138 PolarHBondContact O-N 3.06Å
139E91.1Very high94.5Very high124 Ų12435.9 Ų35.958%0.57920%0.198SC*.  trans-140.6144.6-179-172.9-176.1172.100109.9I137I137-E139 VanDerWaalsContact CG2-O 3.32Å; I137-E139 WeakPolarHBondContact CG2-O 3.39Å
140I90.1Very high94.5Very high7 Ų737.3 Ų37.34%0.03620%0.204CC..  trans-121.5101.9175.8-61.1152.4000108.5I117 I137 A142 L145 L154 L159 G164 L165I117-I140 HydrophobicContact CD1-CG1 4.19Å; I117-I140 HydrophobicContact CD1-CG2 4.17Å; I137-I140 HydrophobicContact CG2-CG1 4.07Å; I140-A142 PolarHBondContact O-N 3.28Å; I140-A142 VanDerWaalsContact O-N 3.14Å; I140-L145 HydrophobicContact CG2-CD1 3.85Å; I140-L145 HydrophobicContact CG2-CD2 4.45Å; I140-L145 HydrophobicContact CG2-CG 4.35Å; I140-L154 HydrophobicContact CD1-CD1 3.27Å; I140-L154 HydrophobicContact CD1-CD2 3.9Å; I140-L154 HydrophobicContact CD1-CG 4.16Å; I140-L154 HydrophobicContact CG1-CD1 4.43Å; I140-L154 HydrophobicContact CG1-CD2 4.38Å; I140-L159 HydrophobicContact CD1-CD1 3.55Å; I140-L159 HydrophobicContact CD1-CD2 3.58Å; I140-L159 HydrophobicContact CD1-CG 4.22Å; I140-L159 HydrophobicContact CG1-CD2 3.83Å; I140-G164 CarbonylContact O-C 3.55Å; I140-L165 HydrophobicContact CB-CB 4.29Å; I140-L165 HydrophobicContact CD1-CD2 4.39Å; I140-L165 HydrophobicContact CG2-CB 4.37Å; I140-L165 HydrophobicContact CG2-CD1 3.9Å; I140-L165 PolarHBondContact O-N 3.26Å
141P90.2Very high94.5Very high14 Ų1440.1 Ų40.19%0.09122%0.219CC..  trans-71.9106.3172.527-32.2000109.2K143 H144P141-K143 HydrophobicContact CB-CG 4.1Å; P141-K143 PolarHBondContact O-N 2.8Å; P141-K143 VanDerWaalsContact O-N 3.11Å; P141-H144 HydrophobicContact CG-CB 4.16Å; P141-H144 WeakPolarHBondContact CG-ND1 3.13Å; P141-H144 PolarHBondContact O-N 3Å
142A89.8Confident94.5Very high4 Ų439.2 Ų39.23%0.03321%0.213CC..G310 helixtrans-56.3-33.5-176.600000113I140 H144 L145 G164 L165 C168I140-A142 PolarHBondContact O-N 3.28Å; I140-A142 VanDerWaalsContact O-N 3.14Å; A142-H144 PolarHBondContact O-N 3.5Å; A142-L145 WeakPolarHBondContact O-CB 3.26Å; A142-L145 PolarHBondContact O-N 2.76Å; A142-G164 WeakPolarHBondContact CB-O 3.45Å; A142-G164 PolarHBondContact N-O 2.9Å; A142-L165 WeakPolarHBondContact CB-O 3.46Å; A142-C168 HydrophobicContact CB-CB 4.26Å; A142-C168 WeakPolarHBondContact CB-O 3.05Å
143K91.3Very high94.6Very high153 Ų15340.4 Ų40.467%0.66522%0.218SC*.G310 helixtrans-57-18173.660.4171.1-178.6-179.60115.7P141P141-K143 HydrophobicContact CB-CG 4.1Å; P141-K143 PolarHBondContact O-N 2.8Å; P141-K143 VanDerWaalsContact O-N 3.11Å
144H93.2Very high94.6Very high24 Ų2439.1 Ų39.111%0.11121%0.21CC..G310 helixtrans-96.1-3.6177.2-60.2167.8000112.4I117 P141 A142I117-H144 HydrophobicContact CG2-CB 4.18Å; I117-H144 PolarHBondContact O-ND1 3.11Å; P141-H144 HydrophobicContact CG-CB 4.16Å; P141-H144 WeakPolarHBondContact CG-ND1 3.13Å; P141-H144 PolarHBondContact O-N 3Å; A142-H144 PolarHBondContact O-N 3.5Å
145L94.3Very high94.6Very high4 Ų441.6 Ų41.62%0.02121%0.208CC..SBendtrans-90.5137.4178.9-59.5-180000110.5I117 L121 L130 I140 A142 L152 L165 P170I117-L145 HydrophobicContact CG2-CD2 4.43Å; L121-L145 HydrophobicContact CD2-CD2 3.88Å; L130-L145 HydrophobicContact CD2-CD2 4.43Å; I140-L145 HydrophobicContact CG2-CD1 3.85Å; I140-L145 HydrophobicContact CG2-CD2 4.45Å; I140-L145 HydrophobicContact CG2-CG 4.35Å; A142-L145 WeakPolarHBondContact O-CB 3.26Å; A142-L145 PolarHBondContact O-N 2.76Å; L145-L152 HydrophobicContact CD1-CD2 3.98Å; L145-L165 HydrophobicContact CD1-CD1 3.59Å; L145-P170 HydrophobicContact CB-CG 4.05Å; L145-P170 HydrophobicContact CD1-CG 3.95Å
146P93.4Very high94.6Very high7 Ų743.5 Ų43.55%0.04523%0.225CC..  trans-67.4142.1175.2-21.733.9000113.1L121 L127 T148 L149L121-P146 HydrophobicContact CG-CG 4.32Å; L127-P146 HydrophobicContact CB-CG 4.36Å; L127-P146 HydrophobicContact CD2-CG 4.34Å; P146-T148 PolarHBondContact O-N 2.88Å; P146-L149 VanDerWaalsContact O-CB 3.27Å; P146-L149 WeakPolarHBondContact O-CB 3.47Å; P146-L149 PolarHBondContact O-N 2.76Å
147D93.8Very high94.7Very high117 Ų11741.3 Ų41.363%0.62621%0.213SC*.THydrogen-bonded Turntrans-66.9-17.5178.8-64.3-23.9000114L149 P171D147-L149 PolarHBondContact O-N 2.79Å; D147-P171 HydrophobicContact CB-CG 4.45Å
148T95.6Very high94.7Very high50 Ų5048.8 Ų48.831%0.30724%0.241SC..THydrogen-bonded Turntrans-76.9-9177.2520000113.5S125 L127 P146 K150S125-T148 VanDerWaalsContact O-CG2 3.31Å; S125-T148 WeakPolarHBondContact O-CG2 3.17Å; L127-T148 CarbonylContact O-C 3.59Å; L127-T148 WeakPolarHBondContact O-CB 3.48Å; L127-T148 PolarHBondContact O-OG1 3.21Å; P146-T148 PolarHBondContact O-N 2.88Å; T148-K150 PolarHBondContact O-N 2.83Å
149L97.1Very high94.8Very high0 Ų045.5 Ų45.50%022%0.218CC..  trans-67.3126.3-172.6-16173.2000111.5L127 L130 P146 D147 L152 P170 Q172 L173L127-L149 HydrophobicContact CD2-CD1 4.34Å; L127-L149 HydrophobicContact CG-CD1 4.12Å; L127-L149 PolarHBondContact O-N 2.79Å; L130-L149 HydrophobicContact CB-CD1 3.71Å; L130-L149 HydrophobicContact CB-CD2 4.44Å; P146-L149 VanDerWaalsContact O-CB 3.27Å; P146-L149 WeakPolarHBondContact O-CB 3.47Å; P146-L149 PolarHBondContact O-N 2.76Å; D147-L149 PolarHBondContact O-N 2.79Å; L149-L152 HydrophobicContact CD2-CB 3.92Å; L149-L152 HydrophobicContact CD2-CD1 4.14Å; L149-L152 HydrophobicContact CD2-CD2 4.34Å; L149-L152 HydrophobicContact CD2-CG 4.35Å; L149-P170 HydrophobicContact CB-CB 4.24Å; L149-P170 HydrophobicContact CD2-CG 4.46Å; L149-Q172 CarbonylContact O-C 3.02Å; L149-L173 HydrophobicContact CB-CD1 4.47Å; L149-L173 HydrophobicContact CD2-CD1 4.15Å; L149-L173 HydrophobicContact CG-CD1 4.11Å; L149-L173 PolarHBondContact O-N 3.25Å
150K98.1Very high95Very high64 Ų6443.3 Ų43.328%0.27822%0.217SC..  trans-109.6-32.4178.6-61.6176.5-168.5160.10112E128 T148 Q172 Q174 Y175E128-K150 HydrophobicContact CB-CD 4.37Å; E128-K150 HydrophobicContact CB-CG 4.49Å; E128-K150 WeakPolarHBondContact O-CA 3.37Å; E128-K150 PolarHBondContact O-N 3.38Å; E128-K150 IonicContact OE1-NZ 3.34Å; E128-K150 PolarHBondContact OE1-NZ 2.88Å; E128-K150 IonicContact OE2-NZ 2.96Å; E128-K150 PolarHBondContact OE2-NZ 2.89Å; T148-K150 PolarHBondContact O-N 2.83Å; K150-Q172 HydrophobicContact CG-CB 4.45Å; K150-Q174 PolarHBondContact O-N 2.85Å; K150-Y175 PolarHBondContact O-N 3.05Å
151I98.4Very high95.2Very high60 Ų6045 Ų4531%0.30823%0.229SC..EExtended strand (participates in β ladder)trans-127.2120.9-177-56.6178.7000108.8E128 E129 L130 Y175E128-I151 PolarHBondContact O-N 2.89Å; E129-I151 WeakPolarHBondContact CA-O 3.42Å; E129-I151 HydrophobicContact CB-CB 4.13Å; E129-I151 HydrophobicContact CG-CB 3.98Å; E129-I151 HydrophobicContact CG-CD1 4.36Å; E129-I151 HydrophobicContact CG-CG2 3.96Å; L130-I151 PolarHBondContact N-O 3.28Å; I151-Y175 HydrophobicContact CG2-CD1 3.61Å; I151-Y175 HydrophobicContact CG2-CE1 4.39Å; I151-Y175 HydrophobicContact CG2-CG 3.99Å
152L98Very high95.3Very high0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-126.6116.2173.8179.657.7000109.5L130 L145 L149 L154 L165 L173 Y175 L176 G177L130-L152 HydrophobicContact CB-CD1 4.23Å; L130-L152 HydrophobicContact CD2-CD1 4.1Å; L130-L152 HydrophobicContact CG-CD1 4.24Å; L130-L152 WeakPolarHBondContact O-CA 3.45Å; L145-L152 HydrophobicContact CD1-CD2 3.98Å; L149-L152 HydrophobicContact CD2-CB 3.92Å; L149-L152 HydrophobicContact CD2-CD1 4.14Å; L149-L152 HydrophobicContact CD2-CD2 4.34Å; L149-L152 HydrophobicContact CD2-CG 4.35Å; L152-L154 HydrophobicContact CD1-CD1 4.04Å; L152-L154 HydrophobicContact CD1-CD2 4.28Å; L152-L154 HydrophobicContact CD1-CG 3.99Å; L152-L154 HydrophobicContact CD2-CD1 3.72Å; L152-L154 HydrophobicContact CG-CD1 3.62Å; L152-L154 HydrophobicContact CG-CG 4Å; L152-L165 HydrophobicContact CD2-CD1 4.26Å; L152-L165 HydrophobicContact CD2-CD2 4.41Å; L152-L173 HydrophobicContact CB-CD1 3.78Å; L152-L173 HydrophobicContact CB-CD2 4.31Å; L152-Y175 PolarHBondContact N-O 2.72Å; L152-L176 HydrophobicContact CB-CD1 4.31Å; L152-L176 HydrophobicContact CD2-CD1 4.13Å; L152-L176 HydrophobicContact CG-CD1 4.26Å; L152-L176 CarbonylContact O-C 3.27Å; L152-L176 WeakPolarHBondContact O-CA 3.07Å; L152-G177 PolarHBondContact O-N 3.34Å
153E97.9Very high95.4Very high24 Ų2447.1 Ų47.111%0.11224%0.244CC..EExtended strand (participates in β ladder)trans-117.9115.7-178.6170.259.3-86.300110.1L130 V131 L132 S133 R155 Y175L130-E153 PolarHBondContact O-N 2.78Å; V131-E153 HydrophobicContact CB-CB 4.35Å; V131-E153 HydrophobicContact CG1-CB 4.16Å; V131-E153 HydrophobicContact CG1-CG 3.87Å; V131-E153 HydrophobicContact CG2-CB 4.16Å; L132-E153 PolarHBondContact N-O 2.96Å; S133-E153 VanDerWaalsContact OG-CG 3.26Å; S133-E153 WeakPolarHBondContact OG-CG 3.27Å; E153-R155 WeakPolarHBondContact OE1-CA 3.24Å; E153-R155 WeakPolarHBondContact OE1-CB 3.32Å; E153-R155 PolarHBondContact OE1-N 2.93Å; E153-Y175 HydrophobicContact CB-CE1 4.18Å; E153-Y175 PolarHBondContact OE2-OH 3.31Å; E153-Y175 VanDerWaalsContact OE2-OH 3.06Å
154L96.9Very high95.2Very high0 Ų040.7 Ų40.70%022%0.221CC..  trans-126.619.8-172.5-64.8152.5000112.2L132 I137 I140 L152 N157 L159 L176 G177 L178 N181L132-L154 HydrophobicContact CB-CD2 4.1Å; L132-L154 HydrophobicContact CD1-CD2 4.03Å; I137-L154 HydrophobicContact CD1-CD2 4.28Å; I140-L154 HydrophobicContact CD1-CD1 3.27Å; I140-L154 HydrophobicContact CD1-CD2 3.9Å; I140-L154 HydrophobicContact CD1-CG 4.16Å; I140-L154 HydrophobicContact CG1-CD1 4.43Å; I140-L154 HydrophobicContact CG1-CD2 4.38Å; L152-L154 HydrophobicContact CD1-CD1 4.04Å; L152-L154 HydrophobicContact CD1-CD2 4.28Å; L152-L154 HydrophobicContact CD1-CG 3.99Å; L152-L154 HydrophobicContact CD2-CD1 3.72Å; L152-L154 HydrophobicContact CG-CD1 3.62Å; L152-L154 HydrophobicContact CG-CG 4Å; L154-N157 PolarHBondContact O-ND2 2.84Å; L154-L159 HydrophobicContact CB-CD1 4.25Å; L154-L159 HydrophobicContact CD1-CD1 4.39Å; L154-L176 HydrophobicContact CD1-CD1 4.44Å; L154-G177 WeakPolarHBondContact CA-O 3.31Å; L154-G177 WeakPolarHBondContact CB-O 3.43Å; L154-G177 PolarHBondContact N-O 3.39Å; L154-L178 HydrophobicContact CB-CD2 4.46Å; L154-L178 HydrophobicContact CD1-CD2 4.02Å; L154-N181 PolarHBondContact O-ND2 2.77Å
155R96.9Very high95.2Very high87 Ų8739.7 Ų39.733%0.32822%0.216SC..  trans-54.5142.1179.6-177.5179.6-173.895.64.9112.6S133 G134 E153 N157 G179 D204 S206S133-R155 CarbonylContact C-O 3.33Å; S133-R155 WeakPolarHBondContact CA-O 3.37Å; G134-R155 PolarHBondContact N-O 3.05Å; E153-R155 WeakPolarHBondContact OE1-CA 3.24Å; E153-R155 WeakPolarHBondContact OE1-CB 3.32Å; E153-R155 PolarHBondContact OE1-N 2.93Å; R155-N157 PolarHBondContact O-ND2 3.45Å; R155-G179 CarbonylContact C-O 3.56Å; R155-G179 WeakPolarHBondContact CA-O 3.37Å; R155-G179 WeakPolarHBondContact CG-O 3.49Å; R155-D204 IonicContact NH1-OD1 2.79Å; R155-D204 IonicContact NH1-OD2 2.92Å; R155-D204 PolarHBondContact NH1-OD2 3.18Å; R155-S206 PolarHBondContact NH1-OG 2.91Å
156A96.7Very high95Very high45 Ų4539.6 Ų39.637%0.37222%0.216SC..SBendtrans56.655.5178.400000112.6G134 N135 G179 S180G134-A156 CarbonylContact C-O 3.58Å; G134-A156 WeakPolarHBondContact CA-O 3.31Å; G134-A156 PolarHBondContact N-O 3.06Å; N135-A156 PolarHBondContact N-O 3.48Å; A156-G179 PolarHBondContact N-O 3.32Å; A156-S180 WeakPolarHBondContact CA-O 3.27Å
157N96.9Very high94.9Very high13 Ų1343.6 Ų43.67%0.0725%0.245CC..SBendtrans-115.7-162169.7-84.5-78.8000109.6L132 N135 L136 I137 L154 R155 L159 N181L132-N157 PolarHBondContact O-ND2 3.43Å; N135-N157 WeakPolarHBondContact CA-OD1 3.32Å; N135-N157 WeakPolarHBondContact CB-OD1 3.39Å; N135-N157 PolarHBondContact N-OD1 3.33Å; N135-N157 PolarHBondContact O-OD1 2.86Å; L136-N157 PolarHBondContact N-OD1 2.93Å; I137-N157 HydrophobicContact CB-CB 4.36Å; I137-N157 WeakPolarHBondContact CB-OD1 3.34Å; I137-N157 WeakPolarHBondContact CG1-OD1 3.27Å; I137-N157 PolarHBondContact N-OD1 3.37Å; I137-N157 VanDerWaalsContact N-OD1 3.12Å; L154-N157 PolarHBondContact O-ND2 2.84Å; R155-N157 PolarHBondContact O-ND2 3.45Å; N157-L159 HydrophobicContact CB-CG 4.4Å; N157-N181 VanDerWaalsContact CA-OD1 3.31Å; N157-N181 WeakPolarHBondContact CA-OD1 3.5Å; N157-N181 VanDerWaalsContact CB-OD1 3.24Å; N157-N181 WeakPolarHBondContact CB-OD1 3.4Å; N157-N181 PolarHBondContact N-OD1 3.01Å; N157-N181 PolarHBondContact O-OD1 3.37Å
158R95.6Very high94.7Very high157 Ų15742.1 Ų42.159%0.59224%0.242SC*.  trans-117.928.4-178.2-61.3-176.3176.4-163.3-2112I137 S160 N181I137-R158 CarbonylContact O-C 3.57Å; I137-R158 VanDerWaalsContact O-C 3.29Å; I137-R158 WeakPolarHBondContact O-CA 3.41Å; I137-R158 PolarHBondContact O-N 3.11Å; R158-S160 PolarHBondContact O-N 3.31Å; R158-N181 PolarHBondContact N-OD1 2.79Å
159L95.9Very high94.5Very high1 Ų140.9 Ų40.91%0.00524%0.235CC..  trans-66.1128.4180-56.1172.2000109.4I137 I140 L154 N157 L178 N181 S182 L183I137-L159 HydrophobicContact CG2-CD2 4.11Å; I137-L159 PolarHBondContact O-N 3.24Å; I140-L159 HydrophobicContact CD1-CD1 3.55Å; I140-L159 HydrophobicContact CD1-CD2 3.58Å; I140-L159 HydrophobicContact CD1-CG 4.22Å; I140-L159 HydrophobicContact CG1-CD2 3.83Å; L154-L159 HydrophobicContact CB-CD1 4.25Å; L154-L159 HydrophobicContact CD1-CD1 4.39Å; N157-L159 HydrophobicContact CB-CG 4.4Å; L159-L178 HydrophobicContact CD1-CD2 3.86Å; L159-N181 HydrophobicContact CB-CB 4.03Å; L159-N181 WeakPolarHBondContact CB-OD1 3.46Å; L159-N181 WeakPolarHBondContact CG-OD1 3.49Å; L159-N181 PolarHBondContact N-OD1 3.32Å; L159-S182 CarbonylContact O-C 3.29Å; L159-S182 WeakPolarHBondContact O-CA 3.4Å; L159-S182 PolarHBondContact O-N 3.19Å; L159-L183 HydrophobicContact CB-CD2 4.17Å
160S94.1Very high94.3Very high79 Ų7941.2 Ų41.255%0.55224%0.237SC*.  trans-114.6-5.8174.760.20000113R158R158-S160 PolarHBondContact O-N 3.31Å
161S94.6Very high94Very high41 Ų4141 Ų4129%0.28724%0.242SC..  trans-151.6146.5175.7-177.20000111.3S163 D188S161-S163 WeakPolarHBondContact OG-CB 3.36Å; S161-S163 PolarHBondContact OG-N 3.44Å; S161-S163 PolarHBondContact OG-OG 3.33Å; S161-D188 VanDerWaalsContact CA-OD1 3.27Å; S161-D188 WeakPolarHBondContact CA-OD1 3.49Å
162L93.6Very high93.9Very high3 Ų341.5 Ų41.52%0.01624%0.244CC..SBendtrans-90.4-11.1170.8-69.8-178.8000114.4G164 L165 A166 L178 L183 D188 D191 L192L162-G164 VanDerWaalsContact C-N 3.32Å; L162-G164 PolarHBondContact O-N 2.94Å; L162-L165 WeakPolarHBondContact O-CA 3.46Å; L162-L165 WeakPolarHBondContact O-CB 3.32Å; L162-L165 PolarHBondContact O-N 3.11Å; L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 2.82Å; L162-L178 HydrophobicContact CD1-CD1 4.11Å; L162-L178 HydrophobicContact CD2-CD1 3.64Å; L162-L178 HydrophobicContact CD2-CD2 3.86Å; L162-L178 HydrophobicContact CD2-CG 4.38Å; L162-L183 HydrophobicContact CD1-CD1 4.26Å; L162-L183 HydrophobicContact CD2-CD1 3.66Å; L162-L183 HydrophobicContact CD2-CD2 4.1Å; L162-L183 HydrophobicContact CG-CD1 3.92Å; L162-L183 HydrophobicContact CG-CD2 3.93Å; L162-D188 HydrophobicContact CD1-CB 4.23Å; L162-D188 HydrophobicContact CG-CB 4.37Å; L162-D188 PolarHBondContact N-OD1 3Å; L162-D191 HydrophobicContact CB-CB 4.2Å; L162-L192 HydrophobicContact CD1-CD1 4.16Å; L162-L192 HydrophobicContact CD1-CD2 3.8Å; L162-L192 HydrophobicContact CD1-CG 3.85Å
163S90.3Very high93.8Very high60 Ų6041.7 Ų41.742%0.4224%0.244SC..Hα-helixtrans-52-44.8-173.554.70000114.1S161 L165 A166 S167 D191S161-S163 WeakPolarHBondContact OG-CB 3.36Å; S161-S163 PolarHBondContact OG-N 3.44Å; S161-S163 PolarHBondContact OG-OG 3.33Å; S163-L165 VanDerWaalsContact C-N 3.27Å; S163-L165 PolarHBondContact O-N 2.79Å; S163-A166 PolarHBondContact O-N 2.98Å; S163-S167 WeakPolarHBondContact O-CB 3.43Å; S163-S167 PolarHBondContact O-N 3.39Å; S163-D191 VanDerWaalsContact CA-OD2 3.32Å; S163-D191 WeakPolarHBondContact CA-OD2 3.1Å; S163-D191 PolarHBondContact N-OD2 3.14Å
164G88.5Confident93.8Very high18 Ų1844.7 Ų44.719%0.18626%0.258CS..Hα-helixtrans-59.5-38.2177.900000112.9I140 A142 L162 S167I140-G164 CarbonylContact O-C 3.55Å; A142-G164 WeakPolarHBondContact CB-O 3.45Å; A142-G164 PolarHBondContact N-O 2.9Å; L162-G164 VanDerWaalsContact C-N 3.32Å; L162-G164 PolarHBondContact O-N 2.94Å; G164-S167 PolarHBondContact O-OG 3.19Å
165L91.6Very high93.9Very high3 Ų347.7 Ų47.72%0.01627%0.27CS..Hα-helixtrans-80.3-40179.4178.159.8000111.9I140 A142 L145 L152 L162 S163 S167 L176 W197I140-L165 HydrophobicContact CB-CB 4.29Å; I140-L165 HydrophobicContact CD1-CD2 4.39Å; I140-L165 HydrophobicContact CG2-CB 4.37Å; I140-L165 HydrophobicContact CG2-CD1 3.9Å; I140-L165 PolarHBondContact O-N 3.26Å; A142-L165 WeakPolarHBondContact CB-O 3.46Å; L145-L165 HydrophobicContact CD1-CD1 3.59Å; L152-L165 HydrophobicContact CD2-CD1 4.26Å; L152-L165 HydrophobicContact CD2-CD2 4.41Å; L162-L165 WeakPolarHBondContact O-CA 3.46Å; L162-L165 WeakPolarHBondContact O-CB 3.32Å; L162-L165 PolarHBondContact O-N 3.11Å; S163-L165 VanDerWaalsContact C-N 3.27Å; S163-L165 PolarHBondContact O-N 2.79Å; L165-S167 VanDerWaalsContact C-N 3.29Å; L165-S167 PolarHBondContact O-N 3.2Å; L165-L176 HydrophobicContact CD2-CD1 4.09Å; L165-L176 HydrophobicContact CD2-CD2 4.44Å; L165-W197 HydrophobicContact CD1-CH2 4.1Å; L165-W197 HydrophobicContact CD2-CH2 3.92Å; L165-W197 HydrophobicContact CD2-CZ2 4.27Å; L165-W197 HydrophobicContact CG-CH2 3.68Å; L165-W197 HydrophobicContact CG-CZ2 4.04Å
166A91Very high94Very high3 Ų343.6 Ų43.63%0.02526%0.255CS..Hα-helixtrans-75.6-14.9-178.700000113.8L162 S163 C168 P169 D191 H196L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 2.82Å; S163-A166 PolarHBondContact O-N 2.98Å; A166-C168 VanDerWaalsContact C-N 3.32Å; A166-C168 PolarHBondContact O-N 3.49Å; A166-P169 WeakPolarHBondContact O-CD 3.47Å; A166-D191 HydrophobicContact CB-CB 3.59Å; A166-H196 PolarHBondContact O-CD2 3.32Å; A166-H196 VanDerWaalsContact O-CD2 3.27Å
167S90.6Very high94Very high91 Ų9141.4 Ų41.464%0.63624%0.237SC*.THydrogen-bonded Turntrans-59.2-39177.166.70000113.7S163 G164 L165S163-S167 WeakPolarHBondContact O-CB 3.43Å; S163-S167 PolarHBondContact O-N 3.39Å; G164-S167 PolarHBondContact O-OG 3.19Å; L165-S167 VanDerWaalsContact C-N 3.29Å; L165-S167 PolarHBondContact O-N 3.2Å
168C90.1Very high94Very high86 Ų8640.8 Ų40.858%0.58123%0.234SC*.SBendtrans-155.669.4179.1-165.70000110.4A142 A166A142-C168 HydrophobicContact CB-CB 4.26Å; A142-C168 WeakPolarHBondContact CB-O 3.05Å; A166-C168 VanDerWaalsContact C-N 3.32Å; A166-C168 PolarHBondContact O-N 3.49Å
169P92.2Very high94.1Very high24 Ų2433.3 Ų33.316%0.15621%0.205CC..  trans-68150.9-171.127.7-35.4000112.2A166 H196 W197A166-P169 WeakPolarHBondContact O-CD 3.47Å; P169-H196 HydrophobicContact CG-CB 4.11Å; P169-H196 WeakPolarHBondContact CG-O 3.47Å; P169-W197 HydrophobicContact CB-CD2 4.28Å; P169-W197 HydrophobicContact CB-CE3 3.79Å; P169-W197 HydrophobicContact CB-CH2 3.38Å; P169-W197 HydrophobicContact CB-CZ2 3.88Å; P169-W197 HydrophobicContact CB-CZ3 3.31Å; P169-W197 HydrophobicContact CG-CZ3 4.46Å
170P93.1Very high94.1Very high6 Ų635.1 Ų35.14%0.03922%0.218CC..  trans-59.4123.4176.1-22.332.4000111.3L145 L149 Q172 L173L145-P170 HydrophobicContact CB-CG 4.05Å; L145-P170 HydrophobicContact CD1-CG 3.95Å; L149-P170 HydrophobicContact CB-CB 4.24Å; L149-P170 HydrophobicContact CD2-CG 4.46Å; P170-Q172 PolarHBondContact O-N 3.11Å; P170-Q172 VanDerWaalsContact O-N 3.17Å; P170-L173 HydrophobicContact CB-CB 4.34Å; P170-L173 WeakPolarHBondContact O-CB 3.12Å; P170-L173 PolarHBondContact O-N 2.76Å
171P91.7Very high94.2Very high60 Ų6031.6 Ų31.639%0.3919%0.193SC..THydrogen-bonded Turntrans-73.2-12.4-168.128.2-36.4000114.4D147 R199D147-P171 HydrophobicContact CB-CG 4.45Å; P171-R199 PolarHBondContact O-NH1 2.91Å
172Q94.9Very high94.2Very high71 Ų7133.1 Ų33.133%0.33220%0.204SC..THydrogen-bonded Turntrans-1034.6178.7-58.9-65.3-19.500112.7L149 K150 P170 Q174L149-Q172 CarbonylContact O-C 3.02Å; K150-Q172 HydrophobicContact CG-CB 4.45Å; P170-Q172 PolarHBondContact O-N 3.11Å; P170-Q172 VanDerWaalsContact O-N 3.17Å; Q172-Q174 PolarHBondContact O-N 3.06Å
173L97.3Very high94.3Very high3 Ų333 Ų332%0.01620%0.203CC..  trans-66.8125-174.7-156.276.1000111.3L149 L152 P170 L176 W197 R199 L200L149-L173 HydrophobicContact CB-CD1 4.47Å; L149-L173 HydrophobicContact CD2-CD1 4.15Å; L149-L173 HydrophobicContact CG-CD1 4.11Å; L149-L173 PolarHBondContact O-N 3.25Å; L152-L173 HydrophobicContact CB-CD1 3.78Å; L152-L173 HydrophobicContact CB-CD2 4.31Å; P170-L173 HydrophobicContact CB-CB 4.34Å; P170-L173 WeakPolarHBondContact O-CB 3.12Å; P170-L173 PolarHBondContact O-N 2.76Å; L173-L176 HydrophobicContact CD2-CB 4.02Å; L173-L176 HydrophobicContact CD2-CD1 4.14Å; L173-L176 HydrophobicContact CD2-CG 4.44Å; L173-W197 HydrophobicContact CB-CZ3 4.42Å; L173-W197 HydrophobicContact CD2-CE3 4.11Å; L173-W197 HydrophobicContact CD2-CH2 4.29Å; L173-W197 HydrophobicContact CD2-CZ3 3.46Å; L173-W197 VanDerWaalsContact CD2-CZ3 3.46Å; L173-R199 CarbonylContact O-C 3.54Å; L173-R199 VanDerWaalsContact O-C 3.29Å; L173-L200 PolarHBondContact O-N 3.36Å
174Q98Very high94.4Very high88 Ų8831.2 Ų31.241%0.41119%0.194SC..  trans-113.9-30.5-179-67.6172.33700111.9K150 Q172 A201 C202K150-Q174 PolarHBondContact O-N 2.85Å; Q172-Q174 PolarHBondContact O-N 3.06Å; Q174-A201 PolarHBondContact O-N 3.1Å; Q174-C202 PolarHBondContact O-N 2.72Å
175Y98.4Very high94.6Very high63 Ų6332.9 Ų32.925%0.24720%0.203CC..EExtended strand (participates in β ladder)trans-123.9127.2177.9179.1-78.6000110.2K150 I151 L152 E153 C202K150-Y175 PolarHBondContact O-N 3.05Å; I151-Y175 HydrophobicContact CG2-CD1 3.61Å; I151-Y175 HydrophobicContact CG2-CE1 4.39Å; I151-Y175 HydrophobicContact CG2-CG 3.99Å; L152-Y175 PolarHBondContact N-O 2.72Å; E153-Y175 HydrophobicContact CB-CE1 4.18Å; E153-Y175 PolarHBondContact OE2-OH 3.31Å; E153-Y175 VanDerWaalsContact OE2-OH 3.06Å; Y175-C202 WeakPolarHBondContact CA-O 3.24Å; Y175-C202 HydrophobicContact CD2-CB 3.55Å; Y175-C202 WeakPolarHBondContact CD2-SG 3.39Å; Y175-C202 HydrophobicContact CE2-CB 4.2Å; Y175-C202 WeakPolarHBondContact CE2-SG 3.24Å; Y175-C202 HydrophobicContact CG-CB 4.34Å
176L98.1Very high94.7Very high0 Ų037.9 Ų37.90%023%0.226CC..EExtended strand (participates in β ladder)trans-129.2110.5173.8-178.856000110.3L152 L154 L165 L173 L178 W197 L200 C202 L203 D204L152-L176 HydrophobicContact CB-CD1 4.31Å; L152-L176 HydrophobicContact CD2-CD1 4.13Å; L152-L176 HydrophobicContact CG-CD1 4.26Å; L152-L176 CarbonylContact O-C 3.27Å; L152-L176 WeakPolarHBondContact O-CA 3.07Å; L154-L176 HydrophobicContact CD1-CD1 4.44Å; L165-L176 HydrophobicContact CD2-CD1 4.09Å; L165-L176 HydrophobicContact CD2-CD2 4.44Å; L173-L176 HydrophobicContact CD2-CB 4.02Å; L173-L176 HydrophobicContact CD2-CD1 4.14Å; L173-L176 HydrophobicContact CD2-CG 4.44Å; L176-L178 HydrophobicContact CD1-CD1 4.33Å; L176-L178 HydrophobicContact CD1-CD2 4.12Å; L176-L178 HydrophobicContact CD1-CG 4Å; L176-L178 HydrophobicContact CD2-CD1 3.76Å; L176-L178 HydrophobicContact CD2-CG 4.33Å; L176-L178 HydrophobicContact CG-CD1 3.81Å; L176-L178 HydrophobicContact CG-CD2 4.49Å; L176-L178 HydrophobicContact CG-CG 3.85Å; L176-W197 HydrophobicContact CD2-CH2 3.99Å; L176-W197 HydrophobicContact CD2-CZ2 4.05Å; L176-W197 HydrophobicContact CD2-CZ3 4.27Å; L176-L200 HydrophobicContact CB-CD1 3.62Å; L176-C202 PolarHBondContact N-O 2.84Å; L176-L203 HydrophobicContact CB-CD1 4.16Å; L176-L203 HydrophobicContact CD2-CD1 4.24Å; L176-L203 HydrophobicContact CG-CD1 4.22Å; L176-L203 WeakPolarHBondContact O-CA 3.49Å; L176-D204 PolarHBondContact O-N 2.89Å
177G97.9Very high94.7Very high0 Ų042.5 Ų42.50%025%0.247CC..EExtended strand (participates in β ladder)trans-98.9113.8175.300000111.2L152 L154L152-G177 PolarHBondContact O-N 3.34Å; L154-G177 WeakPolarHBondContact CA-O 3.31Å; L154-G177 WeakPolarHBondContact CB-O 3.43Å; L154-G177 PolarHBondContact N-O 3.39Å
178L97.3Very high94.9Very high0 Ų038.1 Ų38.10%022%0.217CC..  trans-123.78.7-178.7-67.3165.1000112.4L154 L159 L162 L176 N181 L183 L203 D204 L205L154-L178 HydrophobicContact CB-CD2 4.46Å; L154-L178 HydrophobicContact CD1-CD2 4.02Å; L159-L178 HydrophobicContact CD1-CD2 3.86Å; L162-L178 HydrophobicContact CD1-CD1 4.11Å; L162-L178 HydrophobicContact CD2-CD1 3.64Å; L162-L178 HydrophobicContact CD2-CD2 3.86Å; L162-L178 HydrophobicContact CD2-CG 4.38Å; L176-L178 HydrophobicContact CD1-CD1 4.33Å; L176-L178 HydrophobicContact CD1-CD2 4.12Å; L176-L178 HydrophobicContact CD1-CG 4Å; L176-L178 HydrophobicContact CD2-CD1 3.76Å; L176-L178 HydrophobicContact CD2-CG 4.33Å; L176-L178 HydrophobicContact CG-CD1 3.81Å; L176-L178 HydrophobicContact CG-CD2 4.49Å; L176-L178 HydrophobicContact CG-CG 3.85Å; L178-N181 WeakPolarHBondContact O-CB 3.38Å; L178-N181 PolarHBondContact O-ND2 2.96Å; L178-L183 HydrophobicContact CB-CD1 3.96Å; L178-L183 HydrophobicContact CD1-CD1 4.14Å; L178-L183 HydrophobicContact CD2-CD1 4.28Å; L178-L183 HydrophobicContact CG-CD1 4.36Å; L178-L203 HydrophobicContact CD1-CD1 4.38Å; L178-D204 CarbonylContact C-O 3.52Å; L178-D204 WeakPolarHBondContact CA-O 3.47Å; L178-D204 WeakPolarHBondContact CB-O 3.43Å; L178-D204 PolarHBondContact N-O 2.72Å; L178-L205 HydrophobicContact CB-CD2 4.16Å; L178-L205 HydrophobicContact CD1-CD2 3.85Å
179G96.8Very high95.1Very high0 Ų034.3 Ų34.30%019%0.191CC..  trans-59.3152.7-172.200000113.9R155 A156 N181 D204 S206R155-G179 CarbonylContact C-O 3.56Å; R155-G179 WeakPolarHBondContact CA-O 3.37Å; R155-G179 WeakPolarHBondContact CG-O 3.49Å; A156-G179 PolarHBondContact N-O 3.32Å; G179-N181 VanDerWaalsContact C-N 3.29Å; G179-N181 PolarHBondContact O-N 2.83Å; G179-N181 PolarHBondContact O-ND2 2.99Å; G179-D204 PolarHBondContact N-O 3.28Å; G179-S206 CarbonylContact C-O 3.54Å; G179-S206 WeakPolarHBondContact CA-O 3.41Å
180S95.9Very high95.1Very high39 Ų3935.3 Ų35.327%0.27320%0.198SC..SBendtrans56.341178.6-43.80000113A156 S206A156-S180 WeakPolarHBondContact CA-O 3.27Å; S180-S206 PolarHBondContact N-O 2.82Å
181N96.9Very high95.2Very high5 Ų535.6 Ų35.63%0.02720%0.199CC..SBendtrans-112.3173168.2-78-77.9000110.1L154 N157 R158 L159 L178 G179 L183L154-N181 PolarHBondContact O-ND2 2.77Å; N157-N181 VanDerWaalsContact CA-OD1 3.31Å; N157-N181 WeakPolarHBondContact CA-OD1 3.5Å; N157-N181 VanDerWaalsContact CB-OD1 3.24Å; N157-N181 WeakPolarHBondContact CB-OD1 3.4Å; N157-N181 PolarHBondContact N-OD1 3.01Å; N157-N181 PolarHBondContact O-OD1 3.37Å; R158-N181 PolarHBondContact N-OD1 2.79Å; L159-N181 HydrophobicContact CB-CB 4.03Å; L159-N181 WeakPolarHBondContact CB-OD1 3.46Å; L159-N181 WeakPolarHBondContact CG-OD1 3.49Å; L159-N181 PolarHBondContact N-OD1 3.32Å; L178-N181 WeakPolarHBondContact O-CB 3.38Å; L178-N181 PolarHBondContact O-ND2 2.96Å; G179-N181 VanDerWaalsContact C-N 3.29Å; G179-N181 PolarHBondContact O-N 2.83Å; G179-N181 PolarHBondContact O-ND2 2.99Å; N181-L183 VanDerWaalsContact C-N 3.25Å; N181-L183 HydrophobicContact CB-CD1 4.32Å; N181-L183 HydrophobicContact CB-CG 4.05Å; N181-L183 PolarHBondContact O-N 2.98Å
182S93.9Very high95.3Very high73 Ų7332.8 Ų32.851%0.5118%0.181SC..SBendtrans-92.736.3179.4-59.80000112.6L159L159-S182 CarbonylContact O-C 3.29Å; L159-S182 WeakPolarHBondContact O-CA 3.4Å; L159-S182 PolarHBondContact O-N 3.19Å
183L95.4Very high95.3Very high0 Ų030.9 Ų30.90%017%0.174CC..  trans-80.5155.7177.7-59.4175.5000110.9L159 L162 L178 N181 C208 N209 F210L159-L183 HydrophobicContact CB-CD2 4.17Å; L162-L183 HydrophobicContact CD1-CD1 4.26Å; L162-L183 HydrophobicContact CD2-CD1 3.66Å; L162-L183 HydrophobicContact CD2-CD2 4.1Å; L162-L183 HydrophobicContact CG-CD1 3.92Å; L162-L183 HydrophobicContact CG-CD2 3.93Å; L178-L183 HydrophobicContact CB-CD1 3.96Å; L178-L183 HydrophobicContact CD1-CD1 4.14Å; L178-L183 HydrophobicContact CD2-CD1 4.28Å; L178-L183 HydrophobicContact CG-CD1 4.36Å; N181-L183 VanDerWaalsContact C-N 3.25Å; N181-L183 HydrophobicContact CB-CD1 4.32Å; N181-L183 HydrophobicContact CB-CG 4.05Å; N181-L183 PolarHBondContact O-N 2.98Å; L183-C208 HydrophobicContact CB-CB 4.35Å; L183-N209 CarbonylContact O-C 3.59Å; L183-N209 VanDerWaalsContact O-CA 3.31Å; L183-N209 WeakPolarHBondContact O-CA 3.1Å; L183-N209 WeakPolarHBondContact O-CB 3.43Å; L183-N209 PolarHBondContact O-N 2.88Å; L183-F210 HydrophobicContact CB-CE2 4.15Å; L183-F210 HydrophobicContact CB-CZ 4.13Å
184G92.6Very high95Very high23 Ų2331.4 Ų31.424%0.23718%0.18CC..  trans146.69.417700000114.7D188G184-D188 PolarHBondContact N-OD2 3.45Å
185S93.6Very high94.7Very high53 Ų5337.7 Ų37.737%0.37120%0.2SC..  trans-73.3159.3173.670.60000111Q187 D188 V189S185-Q187 PolarHBondContact O-N 3.46Å; S185-D188 WeakPolarHBondContact CB-OD2 3.48Å; S185-D188 PolarHBondContact N-OD2 2.83Å; S185-D188 WeakPolarHBondContact O-CB 3.22Å; S185-D188 PolarHBondContact O-N 3.33Å; S185-D188 VanDerWaalsContact O-N 3.1Å; S185-D188 PolarHBondContact OG-N 3.17Å; S185-D188 PolarHBondContact OG-OD1 2.74Å; S185-D188 PolarHBondContact OG-OD2 2.85Å; S185-V189 PolarHBondContact O-N 3.17Å
186H91.9Very high94.4Very high107 Ų10736.9 Ų36.950%0.49520%0.198SC..Hα-helixtrans-56.6-37174.3-177.7-78.9000112.1V189 C190 L215H186-V189 WeakPolarHBondContact O-CB 2.98Å; H186-V189 PolarHBondContact O-N 3.37Å; H186-C190 PolarHBondContact CE1-SG 3.27Å; H186-C190 PolarHBondContact O-N 3.24Å; H186-C190 VanDerWaalsContact O-N 3.13Å; H186-C190 PolarHBondContact O-SG 3.01Å; H186-L215 VanDerWaalsContact CD2-CD2 3.45Å; H186-L215 WeakPolarHBondContact CD2-CD2 3.44Å
187Q92.9Very high94.2Very high100 Ų10037.1 Ų37.147%0.46720%0.199SC..Hα-helixtrans-64.8-40.9176.9-172.760.151.400111.8S185 V189 C190 D191S185-Q187 PolarHBondContact O-N 3.46Å; Q187-V189 PolarHBondContact O-N 3.2Å; Q187-C190 PolarHBondContact O-N 2.85Å; Q187-C190 VanDerWaalsContact O-N 3.1Å; Q187-D191 PolarHBondContact NE2-OD1 3.03Å; Q187-D191 WeakPolarHBondContact O-CB 3.47Å; Q187-D191 PolarHBondContact O-N 2.92Å
188D94.8Very high94Very high0 Ų040.1 Ų40.10%022%0.219CC..Hα-helixtrans-59.5-35.1177-58.5-40.7000111.4S161 L162 G184 S185 D191 L192 F210S161-D188 VanDerWaalsContact CA-OD1 3.27Å; S161-D188 WeakPolarHBondContact CA-OD1 3.49Å; L162-D188 HydrophobicContact CD1-CB 4.23Å; L162-D188 HydrophobicContact CG-CB 4.37Å; L162-D188 PolarHBondContact N-OD1 3Å; G184-D188 PolarHBondContact N-OD2 3.45Å; S185-D188 WeakPolarHBondContact CB-OD2 3.48Å; S185-D188 PolarHBondContact N-OD2 2.83Å; S185-D188 WeakPolarHBondContact O-CB 3.22Å; S185-D188 PolarHBondContact O-N 3.33Å; S185-D188 VanDerWaalsContact O-N 3.1Å; S185-D188 PolarHBondContact OG-N 3.17Å; S185-D188 PolarHBondContact OG-OD1 2.74Å; S185-D188 PolarHBondContact OG-OD2 2.85Å; D188-D191 PolarHBondContact O-N 3.07Å; D188-L192 VanDerWaalsContact O-CG 3.31Å; D188-L192 WeakPolarHBondContact O-CG 3.25Å; D188-L192 PolarHBondContact O-N 2.91Å; D188-F210 HydrophobicContact CB-CE1 4.13Å; D188-F210 HydrophobicContact CB-CZ 4.34Å
189V94.1Very high94Very high5 Ų545.5 Ų45.53%0.0324%0.239CC..Hα-helixtrans-67-46.9175.4179.40000110.8S185 H186 Q187 D191 L192 F210 L215 L216 T219S185-V189 PolarHBondContact O-N 3.17Å; H186-V189 WeakPolarHBondContact O-CB 2.98Å; H186-V189 PolarHBondContact O-N 3.37Å; Q187-V189 PolarHBondContact O-N 3.2Å; V189-D191 PolarHBondContact O-N 3.24Å; V189-L192 PolarHBondContact O-N 3.48Å; V189-L192 VanDerWaalsContact O-N 3.17Å; V189-F210 HydrophobicContact CG2-CD1 3.74Å; V189-F210 HydrophobicContact CG2-CE1 3.78Å; V189-L215 HydrophobicContact CB-CD2 4.43Å; V189-L215 HydrophobicContact CG1-CB 4.43Å; V189-L215 HydrophobicContact CG1-CD2 4.06Å; V189-L215 HydrophobicContact CG1-CG 3.74Å; V189-L216 HydrophobicContact CG1-CB 4.44Å; V189-L216 HydrophobicContact CG1-CD1 4.43Å; V189-L216 HydrophobicContact CG2-CD1 4.45Å; V189-T219 HydrophobicContact CG1-CG2 3.69Å; V189-T219 PolarHBondContact O-OG1 3Å
190C92.3Very high94Very high46 Ų4645.5 Ų45.531%0.31124%0.239SC..Hα-helixtrans-61.9-28176.5-64.30000113.7H186 Q187 L192 T193H186-C190 PolarHBondContact CE1-SG 3.27Å; H186-C190 PolarHBondContact O-N 3.24Å; H186-C190 VanDerWaalsContact O-N 3.13Å; H186-C190 PolarHBondContact O-SG 3.01Å; Q187-C190 PolarHBondContact O-N 2.85Å; Q187-C190 VanDerWaalsContact O-N 3.1Å; C190-L192 VanDerWaalsContact C-N 3.32Å; C190-T193 VanDerWaalsContact O-CG2 3.28Å; C190-T193 WeakPolarHBondContact O-CG2 3.41Å; C190-T193 PolarHBondContact O-OG1 3.1Å
191D93.8Very high94.1Very high12 Ų1245.1 Ų45.16%0.06424%0.238CC..Hα-helixtrans-76.9-17.6179.7-71.3-11.7000112.9L162 S163 A166 Q187 D188 V189 T193 H196 W197L162-D191 HydrophobicContact CB-CB 4.2Å; S163-D191 VanDerWaalsContact CA-OD2 3.32Å; S163-D191 WeakPolarHBondContact CA-OD2 3.1Å; S163-D191 PolarHBondContact N-OD2 3.14Å; A166-D191 HydrophobicContact CB-CB 3.59Å; Q187-D191 PolarHBondContact NE2-OD1 3.03Å; Q187-D191 WeakPolarHBondContact O-CB 3.47Å; Q187-D191 PolarHBondContact O-N 2.92Å; D188-D191 PolarHBondContact O-N 3.07Å; V189-D191 PolarHBondContact O-N 3.24Å; D191-T193 VanDerWaalsContact C-N 3.27Å; D191-T193 PolarHBondContact O-N 3.36Å; D191-H196 PolarHBondContact O-ND1 3.46Å; D191-W197 PolarHBondContact O-NE1 3.06Å
192L94.5Very high94.2Very high1 Ų146.1 Ų46.11%0.00525%0.245CC..SBendtrans-89.233.9-178.5-70.7168.4000113.8L162 D188 V189 C190 L203 L205 F210 L216 L220L162-L192 HydrophobicContact CD1-CD1 4.16Å; L162-L192 HydrophobicContact CD1-CD2 3.8Å; L162-L192 HydrophobicContact CD1-CG 3.85Å; D188-L192 VanDerWaalsContact O-CG 3.31Å; D188-L192 WeakPolarHBondContact O-CG 3.25Å; D188-L192 PolarHBondContact O-N 2.91Å; V189-L192 PolarHBondContact O-N 3.48Å; V189-L192 VanDerWaalsContact O-N 3.17Å; C190-L192 VanDerWaalsContact C-N 3.32Å; L192-L203 HydrophobicContact CD2-CD1 4.45Å; L192-L203 HydrophobicContact CD2-CD2 4.22Å; L192-L205 HydrophobicContact CD1-CD1 3.82Å; L192-L205 HydrophobicContact CD1-CD2 4.27Å; L192-F210 HydrophobicContact CD1-CE1 4.26Å; L192-F210 HydrophobicContact CD1-CZ 4.02Å; L192-L216 HydrophobicContact CD1-CD1 3.92Å; L192-L220 HydrophobicContact CB-CD2 4.24Å
193T94Very high94.4Very high30 Ų3042.6 Ų42.618%0.18422%0.221CC..SBendtrans-95.2156.1-178.454.20000113.1C190 D191 R195 H196 W197 T219 T222C190-T193 VanDerWaalsContact O-CG2 3.28Å; C190-T193 WeakPolarHBondContact O-CG2 3.41Å; C190-T193 PolarHBondContact O-OG1 3.1Å; D191-T193 VanDerWaalsContact C-N 3.27Å; D191-T193 PolarHBondContact O-N 3.36Å; T193-R195 PolarHBondContact O-N 3Å; T193-R195 VanDerWaalsContact O-N 3.1Å; T193-H196 PolarHBondContact O-N 3.34Å; T193-H196 PolarHBondContact OG1-ND1 3.22Å; T193-H196 VanDerWaalsContact OG1-ND1 3.14Å; T193-W197 PolarHBondContact O-N 3.03Å; T193-W197 VanDerWaalsContact O-N 3.12Å; T193-T219 HydrophobicContact CG2-CG2 4.25Å; T193-T222 WeakPolarHBondContact CA-OG1 3.48Å
194G91.1Very high94.5Very high14 Ų1443.1 Ų43.114%0.14422%0.224CC..THydrogen-bonded Turntrans-57.5-22.317600000115T222G194-T222 WeakPolarHBondContact CA-O 3.36Å; G194-T222 PolarHBondContact N-OG1 3.05Å
195R91.4Very high94.7Very high221 Ų22142 Ų4283%0.83421%0.212SC*.THydrogen-bonded Turntrans-62.9-42.6173.5-175.5-175179.2-150.9-0111.8T193T193-R195 PolarHBondContact O-N 3Å; T193-R195 VanDerWaalsContact O-N 3.1Å
196H92.4Very high94.9Very high46 Ų4639.7 Ų39.721%0.21320%0.196CC..THydrogen-bonded Turntrans-82-34.3179.2-60.2117.3000110.9A166 P169 D191 T193 P198A166-H196 PolarHBondContact O-CD2 3.32Å; A166-H196 VanDerWaalsContact O-CD2 3.27Å; P169-H196 HydrophobicContact CG-CB 4.11Å; P169-H196 WeakPolarHBondContact CG-O 3.47Å; D191-H196 PolarHBondContact O-ND1 3.46Å; T193-H196 PolarHBondContact O-N 3.34Å; T193-H196 PolarHBondContact OG1-ND1 3.22Å; T193-H196 VanDerWaalsContact OG1-ND1 3.14Å; H196-P198 VanDerWaalsContact C-CD 3.44Å; H196-P198 VanDerWaalsContact O-CD 3.22Å; H196-P198 WeakPolarHBondContact O-CD 3.46Å
197W95.3Very high95.1Very high4 Ų436.6 Ų36.62%0.01518%0.183CC..  trans-123.862.9-167.5-55.3107.1000113.6L165 P169 L173 L176 D191 T193 R199 L200 L223L165-W197 HydrophobicContact CD1-CH2 4.1Å; L165-W197 HydrophobicContact CD2-CH2 3.92Å; L165-W197 HydrophobicContact CD2-CZ2 4.27Å; L165-W197 HydrophobicContact CG-CH2 3.68Å; L165-W197 HydrophobicContact CG-CZ2 4.04Å; P169-W197 HydrophobicContact CB-CD2 4.28Å; P169-W197 HydrophobicContact CB-CE3 3.79Å; P169-W197 HydrophobicContact CB-CH2 3.38Å; P169-W197 HydrophobicContact CB-CZ2 3.88Å; P169-W197 HydrophobicContact CB-CZ3 3.31Å; P169-W197 HydrophobicContact CG-CZ3 4.46Å; L173-W197 HydrophobicContact CB-CZ3 4.42Å; L173-W197 HydrophobicContact CD2-CE3 4.11Å; L173-W197 HydrophobicContact CD2-CH2 4.29Å; L173-W197 HydrophobicContact CD2-CZ3 3.46Å; L173-W197 VanDerWaalsContact CD2-CZ3 3.46Å; L176-W197 HydrophobicContact CD2-CH2 3.99Å; L176-W197 HydrophobicContact CD2-CZ2 4.05Å; L176-W197 HydrophobicContact CD2-CZ3 4.27Å; D191-W197 PolarHBondContact O-NE1 3.06Å; T193-W197 PolarHBondContact O-N 3.03Å; T193-W197 VanDerWaalsContact O-N 3.12Å; W197-R199 VanDerWaalsContact C-N 3.29Å; W197-R199 PolarHBondContact O-N 3.19Å; W197-L200 HydrophobicContact CB-CB 3.84Å; W197-L200 HydrophobicContact CB-CD2 4.03Å; W197-L200 HydrophobicContact CG-CD2 4.25Å; W197-L200 PolarHBondContact O-N 3.19Å; W197-L223 HydrophobicContact CB-CD2 3.65Å; W197-L223 HydrophobicContact CG-CD2 4.47Å
198P94Very high95.2Very high63 Ų6331.9 Ų31.941%0.40916%0.161SC..THydrogen-bonded Turntrans-69.5-20.1-169.128-36.9000114.8H196 P224H196-P198 VanDerWaalsContact C-CD 3.44Å; H196-P198 VanDerWaalsContact O-CD 3.22Å; H196-P198 WeakPolarHBondContact O-CD 3.46Å; P198-P224 VanDerWaalsContact O-CG 3.31Å; P198-P224 WeakPolarHBondContact O-CG 3.44Å
199R96.5Very high95.2Very high114 Ų11434.8 Ų34.843%0.4318%0.177SC..THydrogen-bonded Turntrans-113.53.8-178.6-68.6-164.6172.1109.3-8.2114.1P171 L173 W197 A201P171-R199 PolarHBondContact O-NH1 2.91Å; L173-R199 CarbonylContact O-C 3.54Å; L173-R199 VanDerWaalsContact O-C 3.29Å; W197-R199 VanDerWaalsContact C-N 3.29Å; W197-R199 PolarHBondContact O-N 3.19Å; R199-A201 PolarHBondContact O-N 3.46Å
200L97.7Very high95.3Very high0 Ų034.7 Ų34.70%018%0.176CC..  trans-68.3118.1-174-172.770.4000110.3L173 L176 W197 C202 L203 L223 C225 L226L173-L200 PolarHBondContact O-N 3.36Å; L176-L200 HydrophobicContact CB-CD1 3.62Å; W197-L200 HydrophobicContact CB-CB 3.84Å; W197-L200 HydrophobicContact CB-CD2 4.03Å; W197-L200 HydrophobicContact CG-CD2 4.25Å; W197-L200 PolarHBondContact O-N 3.19Å; L200-C202 WeakPolarHBondContact CD1-O 3.29Å; L200-L203 HydrophobicContact CD2-CB 4.2Å; L200-L203 HydrophobicContact CD2-CD1 4.25Å; L200-L203 HydrophobicContact CD2-CD2 4.34Å; L200-L203 HydrophobicContact CD2-CG 4.49Å; L200-L223 HydrophobicContact CD2-CD1 4.41Å; L200-L223 HydrophobicContact CD2-CD2 4.46Å; L200-C225 CarbonylContact O-C 3.51Å; L200-C225 VanDerWaalsContact O-C 3.27Å; L200-L226 WeakPolarHBondContact O-CA 3.39Å; L200-L226 PolarHBondContact O-N 3.46Å
201A97.6Very high95.2Very high31 Ų3136.8 Ų36.826%0.25618%0.181SC..  trans-108.6-28.2-177.800000112.6Q174 R199 C225 K227 T228Q174-A201 PolarHBondContact O-N 3.1Å; R199-A201 PolarHBondContact O-N 3.46Å; A201-C225 WeakPolarHBondContact CA-O 3.33Å; A201-K227 PolarHBondContact O-N 3Å; A201-T228 PolarHBondContact O-N 3.14Å
202C98.2Very high94.9Very high25 Ų2540.9 Ų40.917%0.16920%0.2CC..EExtended strand (participates in β ladder)trans-131.4126.8180-172.60000110.8Q174 Y175 L176 L200 T228Q174-C202 PolarHBondContact O-N 2.72Å; Y175-C202 WeakPolarHBondContact CA-O 3.24Å; Y175-C202 HydrophobicContact CD2-CB 3.55Å; Y175-C202 WeakPolarHBondContact CD2-SG 3.39Å; Y175-C202 HydrophobicContact CE2-CB 4.2Å; Y175-C202 WeakPolarHBondContact CE2-SG 3.24Å; Y175-C202 HydrophobicContact CG-CB 4.34Å; L176-C202 PolarHBondContact N-O 2.84Å; L200-C202 WeakPolarHBondContact CD1-O 3.29Å; C202-T228 WeakPolarHBondContact CA-O 3.35Å
203L98.3Very high94.8Very high0 Ų040.9 Ų40.90%020%0.2CC..EExtended strand (participates in β ladder)trans-132.4122.9-179.4178.959.5000110.4L176 L178 L192 L200 L205 L220 L223 L226 T228 L229 T230L176-L203 HydrophobicContact CB-CD1 4.16Å; L176-L203 HydrophobicContact CD2-CD1 4.24Å; L176-L203 HydrophobicContact CG-CD1 4.22Å; L176-L203 WeakPolarHBondContact O-CA 3.49Å; L178-L203 HydrophobicContact CD1-CD1 4.38Å; L192-L203 HydrophobicContact CD2-CD1 4.45Å; L192-L203 HydrophobicContact CD2-CD2 4.22Å; L200-L203 HydrophobicContact CD2-CB 4.2Å; L200-L203 HydrophobicContact CD2-CD1 4.25Å; L200-L203 HydrophobicContact CD2-CD2 4.34Å; L200-L203 HydrophobicContact CD2-CG 4.49Å; L203-L205 HydrophobicContact CD1-CD2 3.93Å; L203-L205 HydrophobicContact CD1-CG 4.11Å; L203-L205 HydrophobicContact CD2-CD1 3.96Å; L203-L205 HydrophobicContact CD2-CG 4.12Å; L203-L205 HydrophobicContact CG-CD1 4.3Å; L203-L205 HydrophobicContact CG-CD2 4.29Å; L203-L205 HydrophobicContact CG-CG 3.91Å; L203-L220 HydrophobicContact CD2-CD2 3.61Å; L203-L223 HydrophobicContact CD2-CD1 4.44Å; L203-L226 HydrophobicContact CB-CD1 3.89Å; L203-T228 PolarHBondContact N-O 2.85Å; L203-L229 HydrophobicContact CB-CD1 4.15Å; L203-L229 HydrophobicContact CD2-CD1 4.14Å; L203-L229 HydrophobicContact CG-CD1 4.19Å; L203-L229 WeakPolarHBondContact O-CA 3.49Å; L203-T230 PolarHBondContact O-N 3.46Å
204D98Very high94.7Very high11 Ų1143.2 Ų43.26%0.05921%0.205CC..EExtended strand (participates in β ladder)trans-108.8110.1171.8176.119.8000110.3R155 L176 L178 G179 S206R155-D204 IonicContact NH1-OD1 2.79Å; R155-D204 IonicContact NH1-OD2 2.92Å; R155-D204 PolarHBondContact NH1-OD2 3.18Å; L176-D204 PolarHBondContact O-N 2.89Å; L178-D204 CarbonylContact C-O 3.52Å; L178-D204 WeakPolarHBondContact CA-O 3.47Å; L178-D204 WeakPolarHBondContact CB-O 3.43Å; L178-D204 PolarHBondContact N-O 2.72Å; G179-D204 PolarHBondContact N-O 3.28Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-N 2.68Å; D204-S206 PolarHBondContact OD1-OG 3.48Å; D204-S206 PolarHBondContact OD2-OG 2.96Å
205L97.3Very high94.7Very high0 Ų045.1 Ų45.10%021%0.211CC..  trans-111.620.2172.7-59.8175000111.5L178 L192 L203 C208 F210 L216 T230 L231 N234L178-L205 HydrophobicContact CB-CD2 4.16Å; L178-L205 HydrophobicContact CD1-CD2 3.85Å; L192-L205 HydrophobicContact CD1-CD1 3.82Å; L192-L205 HydrophobicContact CD1-CD2 4.27Å; L203-L205 HydrophobicContact CD1-CD2 3.93Å; L203-L205 HydrophobicContact CD1-CG 4.11Å; L203-L205 HydrophobicContact CD2-CD1 3.96Å; L203-L205 HydrophobicContact CD2-CG 4.12Å; L203-L205 HydrophobicContact CG-CD1 4.3Å; L203-L205 HydrophobicContact CG-CD2 4.29Å; L203-L205 HydrophobicContact CG-CG 3.91Å; L205-C208 WeakPolarHBondContact O-CB 3.44Å; L205-F210 HydrophobicContact CB-CD2 4.43Å; L205-F210 HydrophobicContact CB-CE2 4.07Å; L205-F210 HydrophobicContact CD1-CE2 4.03Å; L205-F210 HydrophobicContact CD1-CZ 4.3Å; L205-F210 HydrophobicContact CD2-CE2 4.01Å; L205-F210 HydrophobicContact CD2-CZ 4.3Å; L205-F210 HydrophobicContact CG-CE2 4.25Å; L205-L216 HydrophobicContact CD1-CD1 4.18Å; L205-L216 HydrophobicContact CD1-CD2 4.38Å; L205-T230 CarbonylContact C-O 3.6Å; L205-T230 PolarHBondContact N-O 2.79Å; L205-L231 HydrophobicContact CB-CD2 4.16Å; L205-L231 HydrophobicContact CD1-CD2 4.13Å; L205-N234 PolarHBondContact O-ND2 3.47Å
206S96.6Very high94.9Very high4 Ų434.6 Ų34.63%0.02817%0.172CC..THydrogen-bonded Turntrans-60.9148.7-175.357.50000112.9R155 G179 S180 D204 C208 T230 K232R155-S206 PolarHBondContact NH1-OG 2.91Å; G179-S206 CarbonylContact C-O 3.54Å; G179-S206 WeakPolarHBondContact CA-O 3.41Å; S180-S206 PolarHBondContact N-O 2.82Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-N 2.68Å; D204-S206 PolarHBondContact OD1-OG 3.48Å; D204-S206 PolarHBondContact OD2-OG 2.96Å; S206-C208 PolarHBondContact O-N 3.38Å; S206-T230 PolarHBondContact N-O 3.46Å; S206-K232 CarbonylContact C-O 3.52Å; S206-K232 WeakPolarHBondContact CA-O 3.37Å; S206-K232 VanDerWaalsContact CB-O 3.25Å; S206-K232 WeakPolarHBondContact CB-O 3.09Å
207N95.7Very high95Very high42 Ų4232.5 Ų32.523%0.22516%0.162CC..THydrogen-bonded Turntrans56.317.4177.6-60-48.5000115.3K232 G233 K492N207-K232 PolarHBondContact N-O 2.76Å; N207-G233 WeakPolarHBondContact OD1-CA 3.25Å; N207-K492 PolarHBondContact O-NZ 2.88Å; N207-K492 VanDerWaalsContact O-NZ 3.16Å
208C96Very high94.9Very high0 Ų034.8 Ų34.80%018%0.182CC..SBendtrans-80.5-172.3168.9-680000111.1L183 L205 S206 F210 N234 P235 K492L183-C208 HydrophobicContact CB-CB 4.35Å; L205-C208 WeakPolarHBondContact O-CB 3.44Å; S206-C208 PolarHBondContact O-N 3.38Å; C208-F210 HydrophobicContact CB-CD2 3.71Å; C208-F210 HydrophobicContact CB-CE2 3.75Å; C208-N234 WeakPolarHBondContact CA-OD1 3.37Å; C208-N234 VanDerWaalsContact CB-OD1 3.3Å; C208-N234 WeakPolarHBondContact CB-OD1 3.49Å; C208-N234 PolarHBondContact O-OD1 2.83Å; C208-P235 WeakPolarHBondContact O-CD 3.11Å; C208-K492 PolarHBondContact O-NZ 2.84Å
209N95.3Very high95Very high62 Ų6232.6 Ų32.633%0.33217%0.168SC..  trans-115.430.1-174.2-57.3-47.9000112.9L183 Q211 N234 K492L183-N209 CarbonylContact O-C 3.59Å; L183-N209 VanDerWaalsContact O-CA 3.31Å; L183-N209 WeakPolarHBondContact O-CA 3.1Å; L183-N209 WeakPolarHBondContact O-CB 3.43Å; L183-N209 PolarHBondContact O-N 2.88Å; N209-Q211 PolarHBondContact O-N 3.05Å; N209-N234 PolarHBondContact N-OD1 3.35Å; N209-K492 PolarHBondContact OD1-NZ 2.92Å
210F94.6Very high95Very high2 Ų227.1 Ų27.11%0.00915%0.147CC..  trans-66.1124.9174.3-66.8-81.1000110.4L183 D188 V189 L192 L205 C208 L216 N234 P235 F236L183-F210 HydrophobicContact CB-CE2 4.15Å; L183-F210 HydrophobicContact CB-CZ 4.13Å; D188-F210 HydrophobicContact CB-CE1 4.13Å; D188-F210 HydrophobicContact CB-CZ 4.34Å; V189-F210 HydrophobicContact CG2-CD1 3.74Å; V189-F210 HydrophobicContact CG2-CE1 3.78Å; L192-F210 HydrophobicContact CD1-CE1 4.26Å; L192-F210 HydrophobicContact CD1-CZ 4.02Å; L205-F210 HydrophobicContact CB-CD2 4.43Å; L205-F210 HydrophobicContact CB-CE2 4.07Å; L205-F210 HydrophobicContact CD1-CE2 4.03Å; L205-F210 HydrophobicContact CD1-CZ 4.3Å; L205-F210 HydrophobicContact CD2-CE2 4.01Å; L205-F210 HydrophobicContact CD2-CZ 4.3Å; L205-F210 HydrophobicContact CG-CE2 4.25Å; C208-F210 HydrophobicContact CB-CD2 3.71Å; C208-F210 HydrophobicContact CB-CE2 3.75Å; F210-L216 HydrophobicContact CB-CD2 4.14Å; F210-L216 HydrophobicContact CD1-CD1 4.26Å; F210-L216 HydrophobicContact CD1-CD2 4.25Å; F210-L216 HydrophobicContact CE1-CD1 4.27Å; F210-L216 HydrophobicContact CG-CD2 4.07Å; F210-N234 HydrophobicContact CB-CB 4.43Å; F210-N234 WeakPolarHBondContact CD2-OD1 3.27Å; F210-N234 PolarHBondContact N-OD1 3.02Å; F210-N234 VanDerWaalsContact N-OD1 3.14Å; F210-P235 WeakPolarHBondContact O-CD 3.38Å; F210-F236 HydrophobicContact CB-CD1 4.12Å; F210-F236 HydrophobicContact CB-CE1 3.78Å; F210-F236 WeakPolarHBondContact O-CD1 3.45Å
211Q90.8Very high94.9Very high91 Ų9132.8 Ų32.843%0.42517%0.173SC..  trans-106.5-29.1-176.8-61.4-17170.700113.3N209 P235N209-Q211 PolarHBondContact O-N 3.05Å; Q211-P235 HydrophobicContact CG-CB 3.89Å; Q211-P235 HydrophobicContact CG-CG 3.96Å
212E88.8Confident94.8Very high98 Ų9834.8 Ų34.846%0.45818%0.182SC..  trans-100.796.2-174.3-63.8173.2-103.300110.3R214 L215 L216E212-R214 PolarHBondContact O-N 3.21Å; E212-L215 HydrophobicContact CB-CB 4.12Å; E212-L216 WeakPolarHBondContact O-CB 3.43Å; E212-L216 PolarHBondContact O-N 3.34Å
213Q92.1Very high94.7Very high0 Ų033.6 Ų33.60%018%0.175CC..Hα-helixtrans-62.9-44-177.4-173.1-178.75.100111.5L216 V217 F236 S241 F245 T246Q213-L216 PolarHBondContact O-N 3.16Å; Q213-V217 HydrophobicContact CG-CG2 4.09Å; Q213-V217 WeakPolarHBondContact O-CB 3.39Å; Q213-V217 VanDerWaalsContact O-CG2 3.24Å; Q213-V217 WeakPolarHBondContact O-CG2 3.21Å; Q213-V217 PolarHBondContact O-N 2.95Å; Q213-F236 HydrophobicContact CB-CB 3.92Å; Q213-F236 HydrophobicContact CB-CD1 4.36Å; Q213-F236 HydrophobicContact CB-CD2 3.74Å; Q213-F236 HydrophobicContact CB-CE2 4.41Å; Q213-F236 HydrophobicContact CB-CG 3.75Å; Q213-F236 HydrophobicContact CG-CD2 3.67Å; Q213-F236 HydrophobicContact CG-CE2 3.96Å; Q213-F236 HydrophobicContact CG-CG 4.19Å; Q213-S241 PolarHBondContact OE1-OG 3.17Å; Q213-F245 HydrophobicContact CG-CD1 3.96Å; Q213-F245 HydrophobicContact CG-CE1 4.41Å; Q213-T246 PolarHBondContact NE2-OG1 3.25Å
214R90.6Very high94.5Very high80 Ų8037.7 Ų37.730%0.30220%0.201SC..Hα-helixtrans-61.2-49.3-175.1-64.4-174.2-177.5-145.515.7111.9E212 V217 A218 F245 N276 V279E212-R214 PolarHBondContact O-N 3.21Å; R214-V217 PolarHBondContact O-N 3.02Å; R214-A218 WeakPolarHBondContact O-CB 3.47Å; R214-A218 PolarHBondContact O-N 2.58Å; R214-F245 HydrophobicContact CB-CE1 4.48Å; R214-F245 HydrophobicContact CB-CZ 4.32Å; R214-F245 HydrophobicContact CG-CE1 4.16Å; R214-F245 HydrophobicContact CG-CE2 4.49Å; R214-F245 HydrophobicContact CG-CZ 3.86Å; R214-N276 PolarHBondContact NH1-O 2.85Å; R214-N276 PolarHBondContact NH2-O 3.48Å; R214-V279 HydrophobicContact CG-CG1 4.33Å; R214-V279 VanDerWaalsContact CZ-O 3.26Å; R214-V279 PolarHBondContact NE-O 3.1Å; R214-V279 VanDerWaalsContact NH2-C 3.29Å; R214-V279 PolarHBondContact NH2-O 2.87Å
215L91.8Very high94.4Very high53 Ų5339.8 Ų39.828%0.27722%0.216SC..Hα-helixtrans-63.7-45.8-179.5-173.267.2000110.8H186 V189 E212 A218 T219H186-L215 VanDerWaalsContact CD2-CD2 3.45Å; H186-L215 WeakPolarHBondContact CD2-CD2 3.44Å; V189-L215 HydrophobicContact CB-CD2 4.43Å; V189-L215 HydrophobicContact CG1-CB 4.43Å; V189-L215 HydrophobicContact CG1-CD2 4.06Å; V189-L215 HydrophobicContact CG1-CG 3.74Å; E212-L215 HydrophobicContact CB-CB 4.12Å; L215-A218 PolarHBondContact O-N 3.37Å; L215-T219 WeakPolarHBondContact O-CG2 3.49Å; L215-T219 PolarHBondContact O-N 2.72Å; L215-T219 VanDerWaalsContact O-N 3.1Å
216L94.9Very high94.4Very high0 Ų039.8 Ų39.80%022%0.216CC..Hα-helixtrans-58.8-53.2177.217962.2000111V189 L192 L205 F210 E212 Q213 A218 T219 L220 L231 F236V189-L216 HydrophobicContact CG1-CB 4.44Å; V189-L216 HydrophobicContact CG1-CD1 4.43Å; V189-L216 HydrophobicContact CG2-CD1 4.45Å; L192-L216 HydrophobicContact CD1-CD1 3.92Å; L205-L216 HydrophobicContact CD1-CD1 4.18Å; L205-L216 HydrophobicContact CD1-CD2 4.38Å; F210-L216 HydrophobicContact CB-CD2 4.14Å; F210-L216 HydrophobicContact CD1-CD1 4.26Å; F210-L216 HydrophobicContact CD1-CD2 4.25Å; F210-L216 HydrophobicContact CE1-CD1 4.27Å; F210-L216 HydrophobicContact CG-CD2 4.07Å; E212-L216 WeakPolarHBondContact O-CB 3.43Å; E212-L216 PolarHBondContact O-N 3.34Å; Q213-L216 PolarHBondContact O-N 3.16Å; L216-A218 VanDerWaalsContact C-N 3.31Å; L216-A218 PolarHBondContact O-N 3.44Å; L216-T219 PolarHBondContact O-N 3.09Å; L216-T219 VanDerWaalsContact O-N 3.1Å; L216-T219 PolarHBondContact O-OG1 2.97Å; L216-L220 HydrophobicContact CD1-CD1 4.07Å; L216-L220 HydrophobicContact CD1-CD2 4.4Å; L216-L220 HydrophobicContact CD1-CG 4.07Å; L216-L220 HydrophobicContact CD2-CD1 4.49Å; L216-L220 HydrophobicContact CG-CD1 3.89Å; L216-L220 HydrophobicContact CG-CG 4.27Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.35Å; L216-L220 PolarHBondContact O-N 3.16Å; L216-L231 HydrophobicContact CD2-CD2 3.98Å; L216-F236 HydrophobicContact CD2-CE1 3.77Å; L216-F236 HydrophobicContact CD2-CZ 4.05Å
217V94.7Very high94.4Very high2 Ų243.9 Ų43.91%0.01223%0.233CC..Hα-helixtrans-60-40.7-178.7170.20000111.8Q213 R214 T219 L220 E221 F245 T246 L250Q213-V217 HydrophobicContact CG-CG2 4.09Å; Q213-V217 WeakPolarHBondContact O-CB 3.39Å; Q213-V217 VanDerWaalsContact O-CG2 3.24Å; Q213-V217 WeakPolarHBondContact O-CG2 3.21Å; Q213-V217 PolarHBondContact O-N 2.95Å; R214-V217 PolarHBondContact O-N 3.02Å; V217-T219 VanDerWaalsContact C-N 3.33Å; V217-T219 PolarHBondContact O-N 2.74Å; V217-L220 PolarHBondContact O-N 2.96Å; V217-E221 PolarHBondContact O-N 2.83Å; V217-F245 HydrophobicContact CB-CE1 3.98Å; V217-F245 HydrophobicContact CG1-CE1 4.02Å; V217-F245 HydrophobicContact CG2-CD1 4.34Å; V217-F245 HydrophobicContact CG2-CE1 4.19Å; V217-T246 HydrophobicContact CG2-CG2 4.28Å; V217-L250 HydrophobicContact CG1-CD1 4.31Å; V217-L250 HydrophobicContact CG1-CD2 4.18Å; V217-L250 HydrophobicContact CG1-CG 3.98Å
218A93.8Very high94.6Very high53 Ų5343.8 Ų43.844%0.43823%0.234SC..Hα-helixtrans-61.1-38.7175.800000112.6R214 L215 L216R214-A218 WeakPolarHBondContact O-CB 3.47Å; R214-A218 PolarHBondContact O-N 2.58Å; L215-A218 PolarHBondContact O-N 3.37Å; L216-A218 VanDerWaalsContact C-N 3.31Å; L216-A218 PolarHBondContact O-N 3.44Å
219T95.3Very high94.7Very high16 Ų1643.8 Ų43.810%0.09823%0.234CC..Hα-helixtrans-70.1-40.4173.961.10000112.3V189 T193 L215 L216 V217 E221 T222V189-T219 HydrophobicContact CG1-CG2 3.69Å; V189-T219 PolarHBondContact O-OG1 3Å; T193-T219 HydrophobicContact CG2-CG2 4.25Å; L215-T219 WeakPolarHBondContact O-CG2 3.49Å; L215-T219 PolarHBondContact O-N 2.72Å; L215-T219 VanDerWaalsContact O-N 3.1Å; L216-T219 PolarHBondContact O-N 3.09Å; L216-T219 VanDerWaalsContact O-N 3.1Å; L216-T219 PolarHBondContact O-OG1 2.97Å; V217-T219 VanDerWaalsContact C-N 3.33Å; V217-T219 PolarHBondContact O-N 2.74Å; T219-E221 VanDerWaalsContact C-N 3.28Å; T219-E221 PolarHBondContact O-N 2.84Å; T219-T222 WeakPolarHBondContact O-CB 3.43Å; T219-T222 PolarHBondContact O-N 2.79Å; T219-T222 VanDerWaalsContact O-N 3.13Å; T219-T222 PolarHBondContact O-OG1 2.88Å
220L96.6Very high94.8Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-67.9-27.2179.1-64.6179.5000112.6L192 L203 L216 V217 T222 L223 L226 L229 L250L192-L220 HydrophobicContact CB-CD2 4.24Å; L203-L220 HydrophobicContact CD2-CD2 3.61Å; L216-L220 HydrophobicContact CD1-CD1 4.07Å; L216-L220 HydrophobicContact CD1-CD2 4.4Å; L216-L220 HydrophobicContact CD1-CG 4.07Å; L216-L220 HydrophobicContact CD2-CD1 4.49Å; L216-L220 HydrophobicContact CG-CD1 3.89Å; L216-L220 HydrophobicContact CG-CG 4.27Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.35Å; L216-L220 PolarHBondContact O-N 3.16Å; V217-L220 PolarHBondContact O-N 2.96Å; L220-T222 PolarHBondContact O-N 2.93Å; L220-L223 HydrophobicContact CB-CD1 4.31Å; L220-L223 HydrophobicContact CD2-CD1 3.52Å; L220-L223 VanDerWaalsContact O-CB 3.3Å; L220-L223 WeakPolarHBondContact O-CB 3.49Å; L220-L223 PolarHBondContact O-N 3.19Å; L220-L226 HydrophobicContact CB-CD2 4.38Å; L220-L229 HydrophobicContact CD1-CD1 4.07Å; L220-L229 HydrophobicContact CD1-CD2 3.8Å; L220-L250 HydrophobicContact CB-CD1 4.27Å; L220-L250 HydrophobicContact CB-CD2 4.44Å
221E95.4Very high94.8Very high118 Ų11841.9 Ų41.955%0.55123%0.225SC*.Hα-helixtrans-58.3-30.9173-168.8-178.5179.200111.7V217 T219 L223 L250V217-E221 PolarHBondContact O-N 2.83Å; T219-E221 VanDerWaalsContact C-N 3.28Å; T219-E221 PolarHBondContact O-N 2.84Å; E221-L223 PolarHBondContact O-N 3.24Å; E221-L250 VanDerWaalsContact CA-CD2 3.47Å; E221-L250 HydrophobicContact CB-CD2 3.78Å; E221-L250 HydrophobicContact CG-CD2 4.32Å
222T95.9Very high95Very high73 Ų7341 Ų4145%0.44822%0.22SC..THydrogen-bonded Turntrans-71.6-12178.1740000113.8T193 G194 T219 L220 P224T193-T222 WeakPolarHBondContact CA-OG1 3.48Å; G194-T222 WeakPolarHBondContact CA-O 3.36Å; G194-T222 PolarHBondContact N-OG1 3.05Å; T219-T222 WeakPolarHBondContact O-CB 3.43Å; T219-T222 PolarHBondContact O-N 2.79Å; T219-T222 VanDerWaalsContact O-N 3.13Å; T219-T222 PolarHBondContact O-OG1 2.88Å; L220-T222 PolarHBondContact O-N 2.93Å; T222-P224 VanDerWaalsContact O-CD 3.3Å; T222-P224 WeakPolarHBondContact O-CD 3.31Å
223L96.1Very high95.3Very high1 Ų136.3 Ų36.31%0.00520%0.198CC..  trans-78.3109.2179.8-63169000110.4W197 L200 L203 L220 E221 C225 L226W197-L223 HydrophobicContact CB-CD2 3.65Å; W197-L223 HydrophobicContact CG-CD2 4.47Å; L200-L223 HydrophobicContact CD2-CD1 4.41Å; L200-L223 HydrophobicContact CD2-CD2 4.46Å; L203-L223 HydrophobicContact CD2-CD1 4.44Å; L220-L223 HydrophobicContact CB-CD1 4.31Å; L220-L223 HydrophobicContact CD2-CD1 3.52Å; L220-L223 VanDerWaalsContact O-CB 3.3Å; L220-L223 WeakPolarHBondContact O-CB 3.49Å; L220-L223 PolarHBondContact O-N 3.19Å; E221-L223 PolarHBondContact O-N 3.24Å; L223-C225 VanDerWaalsContact C-N 3.35Å; L223-C225 PolarHBondContact O-N 3.23Å; L223-L226 HydrophobicContact CB-CB 3.85Å; L223-L226 HydrophobicContact CD1-CB 4.45Å; L223-L226 HydrophobicContact CD1-CD1 4.36Å; L223-L226 HydrophobicContact CD1-CD2 3.99Å; L223-L226 HydrophobicContact CD1-CG 4.5Å
224P94Very high95.4Very high86 Ų8636.4 Ų36.456%0.55820%0.198SC*.THydrogen-bonded Turntrans-72.5-26.5-167.129.6-36.9000113.7P198 T222P198-P224 VanDerWaalsContact O-CG 3.31Å; P198-P224 WeakPolarHBondContact O-CG 3.44Å; T222-P224 VanDerWaalsContact O-CD 3.3Å; T222-P224 WeakPolarHBondContact O-CD 3.31Å
225C96.2Very high95.6Very high54 Ų5432.6 Ų32.637%0.36518%0.184SC..THydrogen-bonded Turntrans-105.90.4-174.9-64.20000113.9L200 A201 L223 K227L200-C225 CarbonylContact O-C 3.51Å; L200-C225 VanDerWaalsContact O-C 3.27Å; A201-C225 WeakPolarHBondContact CA-O 3.33Å; L223-C225 VanDerWaalsContact C-N 3.35Å; L223-C225 PolarHBondContact O-N 3.23Å; C225-K227 WeakPolarHBondContact O-CG 3.3Å; C225-K227 PolarHBondContact O-N 2.63Å
226L97.8Very high95.7Very high0 Ų030.1 Ų30.10%017%0.171CC..  trans-64.2120.4-171.6-173.171.4000111.3L200 L203 L220 L223 Q252 L253L200-L226 WeakPolarHBondContact O-CA 3.39Å; L200-L226 PolarHBondContact O-N 3.46Å; L203-L226 HydrophobicContact CB-CD1 3.89Å; L220-L226 HydrophobicContact CB-CD2 4.38Å; L223-L226 HydrophobicContact CB-CB 3.85Å; L223-L226 HydrophobicContact CD1-CB 4.45Å; L223-L226 HydrophobicContact CD1-CD1 4.36Å; L223-L226 HydrophobicContact CD1-CD2 3.99Å; L223-L226 HydrophobicContact CD1-CG 4.5Å; L226-Q252 VanDerWaalsContact O-CG 3.29Å; L226-Q252 WeakPolarHBondContact O-CG 3.31Å; L226-L253 HydrophobicContact CD2-CD2 3.87Å; L226-L253 HydrophobicContact CG-CD2 3.76Å
227K97.3Very high95.7Very high91 Ų9130.3 Ų30.340%0.39617%0.172SC..  trans-120.8-33.9178.6-63.7-50.4-176.9-167.90113.3A201 C225 Q252 S254 C255A201-K227 PolarHBondContact O-N 3Å; C225-K227 WeakPolarHBondContact O-CG 3.3Å; C225-K227 PolarHBondContact O-N 2.63Å; K227-Q252 WeakPolarHBondContact CD-O 3.4Å; K227-Q252 PolarHBondContact NZ-O 3.5Å; K227-S254 PolarHBondContact O-N 3.46Å; K227-C255 PolarHBondContact O-N 2.9Å
228T98.1Very high95.6Very high40 Ų4030.3 Ų30.325%0.24517%0.172CC..EExtended strand (participates in β ladder)trans-121.8126.1-177.6-57.90000109.6A201 C202 L203 C255A201-T228 PolarHBondContact O-N 3.14Å; C202-T228 WeakPolarHBondContact CA-O 3.35Å; L203-T228 PolarHBondContact N-O 2.85Å; T228-C255 WeakPolarHBondContact CA-O 3.28Å; T228-C255 HydrophobicContact CG2-CB 4.11Å
229L98.2Very high95.6Very high0 Ų027.8 Ų27.80%015%0.151CC..EExtended strand (participates in β ladder)trans-134132.9-179.1-179.762.3000110.2L203 L220 L231 T246 L250 L253 C255 L256 D257L203-L229 HydrophobicContact CB-CD1 4.15Å; L203-L229 HydrophobicContact CD2-CD1 4.14Å; L203-L229 HydrophobicContact CG-CD1 4.19Å; L203-L229 WeakPolarHBondContact O-CA 3.49Å; L220-L229 HydrophobicContact CD1-CD1 4.07Å; L220-L229 HydrophobicContact CD1-CD2 3.8Å; L229-L231 HydrophobicContact CD1-CD2 3.98Å; L229-L231 HydrophobicContact CD1-CG 4.22Å; L229-L231 HydrophobicContact CD2-CD1 3.74Å; L229-L231 HydrophobicContact CD2-CD2 4.35Å; L229-L231 HydrophobicContact CD2-CG 4Å; L229-L231 HydrophobicContact CG-CD1 4.18Å; L229-L231 HydrophobicContact CG-CD2 4.19Å; L229-L231 HydrophobicContact CG-CG 3.87Å; L229-T246 HydrophobicContact CD2-CG2 4.29Å; L229-L250 HydrophobicContact CD2-CD1 3.96Å; L229-L253 HydrophobicContact CB-CD1 4.15Å; L229-L253 HydrophobicContact CB-CD2 3.77Å; L229-L253 HydrophobicContact CD2-CD1 4.03Å; L229-C255 PolarHBondContact N-O 2.96Å; L229-L256 HydrophobicContact CB-CD1 4.27Å; L229-L256 HydrophobicContact CD2-CD1 4.23Å; L229-L256 HydrophobicContact CG-CD1 4.25Å; L229-L256 CarbonylContact O-C 3.55Å; L229-L256 VanDerWaalsContact O-CA 3.32Å; L229-L256 WeakPolarHBondContact O-CA 3.42Å; L229-D257 PolarHBondContact O-N 3.36Å
230T97.2Very high95.4Very high24 Ų2427.6 Ų27.615%0.14715%0.15CC..EExtended strand (participates in β ladder)trans-121119.9172-51.30000109.8L203 L205 S206L203-T230 PolarHBondContact O-N 3.46Å; L205-T230 CarbonylContact C-O 3.6Å; L205-T230 PolarHBondContact N-O 2.79Å; S206-T230 PolarHBondContact N-O 3.46Å
231L96.4Very high95.1Very high0 Ų027.6 Ų27.60%015%0.15CC..  trans-120.1-8.1-178.6-63.6173.2000112.9L205 L216 L229 G233 N234 F236 T237 Y242 T246 L256 D257L205-L231 HydrophobicContact CB-CD2 4.16Å; L205-L231 HydrophobicContact CD1-CD2 4.13Å; L216-L231 HydrophobicContact CD2-CD2 3.98Å; L229-L231 HydrophobicContact CD1-CD2 3.98Å; L229-L231 HydrophobicContact CD1-CG 4.22Å; L229-L231 HydrophobicContact CD2-CD1 3.74Å; L229-L231 HydrophobicContact CD2-CD2 4.35Å; L229-L231 HydrophobicContact CD2-CG 4Å; L229-L231 HydrophobicContact CG-CD1 4.18Å; L229-L231 HydrophobicContact CG-CD2 4.19Å; L229-L231 HydrophobicContact CG-CG 3.87Å; L231-G233 PolarHBondContact O-N 3Å; L231-N234 PolarHBondContact O-N 3.39Å; L231-N234 PolarHBondContact O-ND2 2.72Å; L231-F236 HydrophobicContact CB-CE2 4.34Å; L231-F236 HydrophobicContact CB-CZ 3.95Å; L231-F236 HydrophobicContact CD1-CE2 4.12Å; L231-F236 HydrophobicContact CD1-CZ 3.86Å; L231-F236 HydrophobicContact CD2-CZ 4.11Å; L231-F236 HydrophobicContact CG-CZ 4.16Å; L231-T237 HydrophobicContact CB-CG2 4.32Å; L231-T237 VanDerWaalsContact O-CG2 3.24Å; L231-T237 WeakPolarHBondContact O-CG2 3.44Å; L231-Y242 HydrophobicContact CB-CE2 4.3Å; L231-Y242 HydrophobicContact CD1-CE2 4.08Å; L231-T246 HydrophobicContact CD1-CG2 4.04Å; L231-L256 HydrophobicContact CD1-CD1 4.33Å; L231-D257 PolarHBondContact N-OD1 2.96Å
232K94.2Very high95Very high72 Ų7222.6 Ų22.631%0.31313%0.126SC..THydrogen-bonded Turntrans-42.5135.8178.4-65.1-164.2-178.4173.70113S206 N207 D257S206-K232 CarbonylContact C-O 3.52Å; S206-K232 WeakPolarHBondContact CA-O 3.37Å; S206-K232 VanDerWaalsContact CB-O 3.25Å; S206-K232 WeakPolarHBondContact CB-O 3.09Å; N207-K232 PolarHBondContact N-O 2.76Å; K232-D257 HydrophobicContact CD-CB 4.33Å; K232-D257 WeakPolarHBondContact CE-O 3.26Å; K232-D257 HydrophobicContact CG-CB 3.91Å; K232-D257 WeakPolarHBondContact CG-OD1 3.45Å; K232-D257 WeakPolarHBondContact CG-OD2 3.28Å; K232-D257 PolarHBondContact N-OD1 3.49Å; K232-D257 PolarHBondContact NZ-O 3.43Å
233G93.9Very high94.8Very high0 Ų021.1 Ų21.10%012%0.118CC..THydrogen-bonded Turntrans84.76.3174.800000115.3N207 L231 K492 V579N207-G233 WeakPolarHBondContact OD1-CA 3.25Å; L231-G233 PolarHBondContact O-N 3Å; G233-K492 WeakPolarHBondContact O-CE 3.14Å; G233-K492 PolarHBondContact O-NZ 3.38Å; G233-K492 VanDerWaalsContact O-NZ 3.09Å; G233-V579 WeakPolarHBondContact CA-O 3.44Å; G233-V579 PolarHBondContact N-O 3.43Å
234N95.8Very high94.6Very high1 Ų121.1 Ų21.11%0.00512%0.118CC..SBendtrans-82.8148.6166.7-75.8-73.2000111L205 C208 N209 F210 L231 F236 T237L205-N234 PolarHBondContact O-ND2 3.47Å; C208-N234 WeakPolarHBondContact CA-OD1 3.37Å; C208-N234 VanDerWaalsContact CB-OD1 3.3Å; C208-N234 WeakPolarHBondContact CB-OD1 3.49Å; C208-N234 PolarHBondContact O-OD1 2.83Å; N209-N234 PolarHBondContact N-OD1 3.35Å; F210-N234 HydrophobicContact CB-CB 4.43Å; F210-N234 WeakPolarHBondContact CD2-OD1 3.27Å; F210-N234 PolarHBondContact N-OD1 3.02Å; F210-N234 VanDerWaalsContact N-OD1 3.14Å; L231-N234 PolarHBondContact O-N 3.39Å; L231-N234 PolarHBondContact O-ND2 2.72Å; N234-F236 VanDerWaalsContact C-N 3.31Å; N234-F236 HydrophobicContact CB-CD1 3.99Å; N234-F236 HydrophobicContact CB-CE1 3.64Å; N234-F236 HydrophobicContact CB-CZ 4.08Å; N234-F236 PolarHBondContact O-N 3.14Å; N234-T237 HydrophobicContact CB-CG2 4.17Å; N234-T237 PolarHBondContact O-N 3.21Å; N234-T237 PolarHBondContact O-OG1 2.91Å
235P94.4Very high94.6Very high1 Ų117.7 Ų17.71%0.00610%0.095CC..G310 helixtrans-46.2-46.7176.4-33.335.2000115.4C208 F210 Q211 T237 M238 L488 K492C208-P235 WeakPolarHBondContact O-CD 3.11Å; F210-P235 WeakPolarHBondContact O-CD 3.38Å; Q211-P235 HydrophobicContact CG-CB 3.89Å; Q211-P235 HydrophobicContact CG-CG 3.96Å; P235-T237 PolarHBondContact O-N 3.4Å; P235-M238 VanDerWaalsContact O-CE 3.28Å; P235-M238 WeakPolarHBondContact O-CE 3.17Å; P235-M238 PolarHBondContact O-N 2.89Å; P235-L488 HydrophobicContact CB-CB 3.67Å; P235-K492 HydrophobicContact CG-CB 4.46Å; P235-K492 HydrophobicContact CG-CD 3.97Å
236F93.5Very high94.5Very high0 Ų015.1 Ų15.10%08%0.077CC..G310 helixtrans-65.1-20.2179.371.9-103000113.7F210 Q213 L216 L231 N234 M238 T239 Y242 L488F210-F236 HydrophobicContact CB-CD1 4.12Å; F210-F236 HydrophobicContact CB-CE1 3.78Å; F210-F236 WeakPolarHBondContact O-CD1 3.45Å; Q213-F236 HydrophobicContact CB-CB 3.92Å; Q213-F236 HydrophobicContact CB-CD1 4.36Å; Q213-F236 HydrophobicContact CB-CD2 3.74Å; Q213-F236 HydrophobicContact CB-CE2 4.41Å; Q213-F236 HydrophobicContact CB-CG 3.75Å; Q213-F236 HydrophobicContact CG-CD2 3.67Å; Q213-F236 HydrophobicContact CG-CE2 3.96Å; Q213-F236 HydrophobicContact CG-CG 4.19Å; L216-F236 HydrophobicContact CD2-CE1 3.77Å; L216-F236 HydrophobicContact CD2-CZ 4.05Å; L231-F236 HydrophobicContact CB-CE2 4.34Å; L231-F236 HydrophobicContact CB-CZ 3.95Å; L231-F236 HydrophobicContact CD1-CE2 4.12Å; L231-F236 HydrophobicContact CD1-CZ 3.86Å; L231-F236 HydrophobicContact CD2-CZ 4.11Å; L231-F236 HydrophobicContact CG-CZ 4.16Å; N234-F236 VanDerWaalsContact C-N 3.31Å; N234-F236 HydrophobicContact CB-CD1 3.99Å; N234-F236 HydrophobicContact CB-CE1 3.64Å; N234-F236 HydrophobicContact CB-CZ 4.08Å; N234-F236 PolarHBondContact O-N 3.14Å; F236-M238 PolarHBondContact O-N 2.8Å; F236-T239 WeakPolarHBondContact O-CG2 3.34Å; F236-T239 PolarHBondContact O-N 3.36Å; F236-T239 PolarHBondContact O-OG1 3.44Å; F236-Y242 AromaticContact CD2-CD2 3.99Å; F236-Y242 HydrophobicContact CD2-CD2 3.99Å; F236-Y242 AromaticContact CE2-CD2 3.68Å; F236-Y242 HydrophobicContact CE2-CD2 3.68Å; F236-Y242 AromaticContact CE2-CE2 3.83Å; F236-Y242 HydrophobicContact CE2-CE2 3.83Å; F236-L488 HydrophobicContact CB-CD1 4.44Å
237T94.3Very high94.3Very high4 Ų415.3 Ų15.33%0.0258%0.078CC..G310 helixtrans-69.9-3.4-179.967.40000112.9L231 N234 P235 Y242 K647L231-T237 HydrophobicContact CB-CG2 4.32Å; L231-T237 VanDerWaalsContact O-CG2 3.24Å; L231-T237 WeakPolarHBondContact O-CG2 3.44Å; N234-T237 HydrophobicContact CB-CG2 4.17Å; N234-T237 PolarHBondContact O-N 3.21Å; N234-T237 PolarHBondContact O-OG1 2.91Å; P235-T237 PolarHBondContact O-N 3.4Å; T237-Y242 HydrophobicContact CG2-CD1 3.98Å; T237-Y242 HydrophobicContact CG2-CD2 4.22Å; T237-Y242 HydrophobicContact CG2-CE1 3.78Å; T237-Y242 HydrophobicContact CG2-CE2 4.06Å; T237-Y242 HydrophobicContact CG2-CG 4.19Å; T237-K647 PolarHBondContact O-NZ 2.94Å
238M93.8Very high94.2Very high2 Ų212.7 Ų12.71%0.017%0.069CC..G310 helixtrans-90.8-8.1173-62.8178.9-6500113.2P235 F236 A283 L488 L491 K492 F495 L645P235-M238 VanDerWaalsContact O-CE 3.28Å; P235-M238 WeakPolarHBondContact O-CE 3.17Å; P235-M238 PolarHBondContact O-N 2.89Å; F236-M238 PolarHBondContact O-N 2.8Å; M238-A283 HydrophobicContact CB-CB 4.24Å; M238-L488 HydrophobicContact CE-CB 4.49Å; M238-L488 WeakPolarHBondContact CE-O 3.43Å; M238-L491 HydrophobicContact CE-CB 3.94Å; M238-L491 HydrophobicContact CE-CD2 3.88Å; M238-L491 HydrophobicContact CE-CG 3.84Å; M238-L491 HydrophobicContact SD-CD2 3.98Å; M238-L491 HydrophobicContact SD-CG 3.91Å; M238-K492 HydrophobicContact CE-CB 3.93Å; M238-F495 HydrophobicContact SD-CD2 3.55Å; M238-F495 VanDerWaalsContact SD-CD2 3.55Å; M238-F495 HydrophobicContact SD-CE2 3.79Å; M238-L645 HydrophobicContact CB-CD1 4.35Å; M238-L645 HydrophobicContact CB-CD2 4.31Å; M238-L645 HydrophobicContact CG-CD1 4.29Å
239T92.6Very high94Very high0 Ų011.6 Ų11.60%06%0.063CC..SBendtrans-74.5154.8177.966.80000111.1F236 S241 Y242 L488 K647F236-T239 WeakPolarHBondContact O-CG2 3.34Å; F236-T239 PolarHBondContact O-N 3.36Å; F236-T239 PolarHBondContact O-OG1 3.44Å; T239-S241 VanDerWaalsContact C-N 3.28Å; T239-S241 PolarHBondContact O-N 3.46Å; T239-S241 PolarHBondContact OG1-OG 3.3Å; T239-Y242 PolarHBondContact O-N 3.47Å; T239-L488 HydrophobicContact CG2-CD1 3.59Å; T239-L488 HydrophobicContact CG2-CD2 4.25Å; T239-K647 PolarHBondContact O-NZ 2.98Å
240P92.1Very high93.8Very high12 Ų1211.6 Ų11.68%0.0786%0.063CC..THydrogen-bonded Turntrans-62.7-32177.2-25.135.5000114.2Y242 V282 E646 W648P240-Y242 PolarHBondContact O-N 2.99Å; P240-V282 WeakPolarHBondContact CD-O 3.02Å; P240-E646 WeakPolarHBondContact CA-O 3.42Å; P240-E646 HydrophobicContact CB-CG 4.28Å; P240-E646 HydrophobicContact CG-CB 4.15Å; P240-E646 HydrophobicContact CG-CG 4.22Å; P240-W648 HydrophobicContact CB-CD2 3.88Å; P240-W648 HydrophobicContact CB-CG 4.08Å; P240-W648 HydrophobicContact CB-CZ2 4.03Å; P240-W648 PolarHBondContact O-N 3.24Å; P240-W648 VanDerWaalsContact O-N 3.08Å
241S90.9Very high93.6Very high1 Ų114.8 Ų14.81%0.0078%0.084CC..THydrogen-bonded Turntrans-68.2-19.6-178.657.50000114.2Q213 T239 P243 G244 F245Q213-S241 PolarHBondContact OE1-OG 3.17Å; T239-S241 VanDerWaalsContact C-N 3.28Å; T239-S241 PolarHBondContact O-N 3.46Å; T239-S241 PolarHBondContact OG1-OG 3.3Å; S241-P243 CarbonylContact O-C 3.57Å; S241-G244 PolarHBondContact O-N 3.27Å; S241-G244 VanDerWaalsContact O-N 3.07Å; S241-F245 PolarHBondContact O-N 3.28Å
242Y92.3Very high93.4Very high12 Ų1216.6 Ų16.65%0.0479%0.093CC..THydrogen-bonded Turntrans-87.9126.5173-172.7-91.8000111.1L231 F236 T237 T239 P240 D257 K647L231-Y242 HydrophobicContact CB-CE2 4.3Å; L231-Y242 HydrophobicContact CD1-CE2 4.08Å; F236-Y242 AromaticContact CD2-CD2 3.99Å; F236-Y242 HydrophobicContact CD2-CD2 3.99Å; F236-Y242 AromaticContact CE2-CD2 3.68Å; F236-Y242 HydrophobicContact CE2-CD2 3.68Å; F236-Y242 AromaticContact CE2-CE2 3.83Å; F236-Y242 HydrophobicContact CE2-CE2 3.83Å; T237-Y242 HydrophobicContact CG2-CD1 3.98Å; T237-Y242 HydrophobicContact CG2-CD2 4.22Å; T237-Y242 HydrophobicContact CG2-CE1 3.78Å; T237-Y242 HydrophobicContact CG2-CE2 4.06Å; T237-Y242 HydrophobicContact CG2-CG 4.19Å; T239-Y242 PolarHBondContact O-N 3.47Å; P240-Y242 PolarHBondContact O-N 2.99Å; Y242-D257 WeakPolarHBondContact CE1-OD2 3.21Å; Y242-D257 PolarHBondContact OH-OD1 3.37Å; Y242-D257 PolarHBondContact OH-OD2 3.17Å; Y242-K647 WeakPolarHBondContact O-CD 3.19Å; Y242-K647 PolarHBondContact O-NZ 3.09Å; Y242-K647 VanDerWaalsContact O-NZ 3.12Å
243P92.3Very high93.5Very high43 Ų4313.3 Ų13.328%0.2798%0.078SC..THydrogen-bonded Turncis-95.9-1116.535.9-36.3000115.7S241 F245 T246 V247 L256 F269S241-P243 CarbonylContact O-C 3.57Å; P243-F245 VanDerWaalsContact C-N 3.32Å; P243-F245 PolarHBondContact O-N 3.12Å; P243-F245 VanDerWaalsContact O-N 3.17Å; P243-T246 PolarHBondContact O-N 3.03Å; P243-V247 PolarHBondContact O-N 3.1Å; P243-L256 HydrophobicContact CB-CD2 3.89Å; P243-F269 HydrophobicContact CG-CE2 4.5Å; P243-F269 HydrophobicContact CG-CZ 4.35Å
244G92.3Very high93.7Very high0 Ų015.4 Ų15.40%09%0.093CC..Hα-helixtrans-52.9-43.6-165.800000115S241 T246 V247 D248S241-G244 PolarHBondContact O-N 3.27Å; S241-G244 VanDerWaalsContact O-N 3.07Å; G244-T246 VanDerWaalsContact C-N 3.32Å; G244-T246 PolarHBondContact O-N 3.13Å; G244-V247 PolarHBondContact O-N 3.25Å; G244-D248 PolarHBondContact O-N 3.43Å
245F92.6Very high93.7Very high14 Ų1415.8 Ų15.86%0.06110%0.096CC..Hα-helixtrans-59.9-43.4-179.7176.5-94.4000111.5Q213 R214 V217 S241 P243 V247 D248 S249 A273 V279Q213-F245 HydrophobicContact CG-CD1 3.96Å; Q213-F245 HydrophobicContact CG-CE1 4.41Å; R214-F245 HydrophobicContact CB-CE1 4.48Å; R214-F245 HydrophobicContact CB-CZ 4.32Å; R214-F245 HydrophobicContact CG-CE1 4.16Å; R214-F245 HydrophobicContact CG-CE2 4.49Å; R214-F245 HydrophobicContact CG-CZ 3.86Å; V217-F245 HydrophobicContact CB-CE1 3.98Å; V217-F245 HydrophobicContact CG1-CE1 4.02Å; V217-F245 HydrophobicContact CG2-CD1 4.34Å; V217-F245 HydrophobicContact CG2-CE1 4.19Å; S241-F245 PolarHBondContact O-N 3.28Å; P243-F245 VanDerWaalsContact C-N 3.32Å; P243-F245 PolarHBondContact O-N 3.12Å; P243-F245 VanDerWaalsContact O-N 3.17Å; F245-V247 VanDerWaalsContact C-N 3.35Å; F245-V247 PolarHBondContact O-N 2.95Å; F245-D248 PolarHBondContact O-N 3.1Å; F245-S249 VanDerWaalsContact O-CB 3.31Å; F245-S249 WeakPolarHBondContact O-CB 3.48Å; F245-S249 PolarHBondContact O-N 3.07Å; F245-S249 PolarHBondContact O-OG 3.1Å; F245-A273 HydrophobicContact CD2-CB 4.21Å; F245-A273 HydrophobicContact CE2-CB 4.08Å; F245-V279 HydrophobicContact CB-CG1 4.5Å; F245-V279 HydrophobicContact CD2-CB 4.4Å; F245-V279 HydrophobicContact CD2-CG1 3.97Å; F245-V279 HydrophobicContact CD2-CG2 3.82Å; F245-V279 HydrophobicContact CE2-CG1 4.37Å; F245-V279 HydrophobicContact CE2-CG2 4.4Å; F245-V279 HydrophobicContact CG-CG1 4.12Å
246T94.1Very high93.8Very high0 Ų016.1 Ų16.10%010%0.097CC..Hα-helixtrans-66-38178.2-61.20000112Q213 V217 L229 L231 P243 G244 L250 L256Q213-T246 PolarHBondContact NE2-OG1 3.25Å; V217-T246 HydrophobicContact CG2-CG2 4.28Å; L229-T246 HydrophobicContact CD2-CG2 4.29Å; L231-T246 HydrophobicContact CD1-CG2 4.04Å; P243-T246 PolarHBondContact O-N 3.03Å; G244-T246 VanDerWaalsContact C-N 3.32Å; G244-T246 PolarHBondContact O-N 3.13Å; T246-L250 HydrophobicContact CG2-CD1 3.94Å; T246-L250 WeakPolarHBondContact O-CB 3.22Å; T246-L250 PolarHBondContact O-N 3.25Å; T246-L250 VanDerWaalsContact O-N 3.1Å; T246-L256 HydrophobicContact CG2-CD1 4.09Å; T246-L256 HydrophobicContact CG2-CD2 4.25Å
247V94.8Very high93.9Very high4 Ų416.8 Ų16.82%0.02410%0.101CC..Hα-helixtrans-66.9-41.6179.4175.10000111.6P243 G244 F245 L256 L261 R266 F269P243-V247 PolarHBondContact O-N 3.1Å; G244-V247 PolarHBondContact O-N 3.25Å; F245-V247 VanDerWaalsContact C-N 3.35Å; F245-V247 PolarHBondContact O-N 2.95Å; V247-L256 HydrophobicContact CG2-CD2 3.75Å; V247-L261 HydrophobicContact CG1-CD1 4.43Å; V247-L261 HydrophobicContact CG1-CD2 4.17Å; V247-L261 HydrophobicContact CG2-CD1 4.45Å; V247-L261 HydrophobicContact CG2-CD2 3.68Å; V247-R266 HydrophobicContact CG1-CG 4.07Å; V247-F269 HydrophobicContact CB-CD2 4.21Å; V247-F269 HydrophobicContact CG1-CD2 4.24Å; V247-F269 HydrophobicContact CG2-CD2 4.48Å
248D93.9Very high93.7Very high36 Ų3621.1 Ų21.119%0.19313%0.131CC..Hα-helixtrans-73.4-39.3179.6-16851.5000112G244 F245 F269 F270 G271 L272 A273G244-D248 PolarHBondContact O-N 3.43Å; F245-D248 PolarHBondContact O-N 3.1Å; D248-F269 WeakPolarHBondContact CB-O 3.44Å; D248-F269 VanDerWaalsContact CG-O 3.3Å; D248-F270 WeakPolarHBondContact OD1-CA 3.26Å; D248-G271 VanDerWaalsContact CG-N 3.27Å; D248-G271 PolarHBondContact OD1-N 3.14Å; D248-G271 VanDerWaalsContact OD2-C 3.28Å; D248-G271 WeakPolarHBondContact OD2-CA 3.31Å; D248-G271 PolarHBondContact OD2-N 3.38Å; D248-G271 VanDerWaalsContact OD2-N 3.11Å; D248-L272 HydrophobicContact CB-CB 4.49Å; D248-L272 PolarHBondContact OD2-N 3.27Å; D248-A273 HydrophobicContact CB-CB 4.24Å; D248-A273 WeakPolarHBondContact OD2-CB 3.4Å; D248-A273 PolarHBondContact OD2-N 3.48Å
249S93.6Very high93.7Very high18 Ų1824.1 Ų24.113%0.12615%0.153CC..Hα-helixtrans-75.5-23.3179.6-62.40000114.8F245 P251 A273F245-S249 VanDerWaalsContact O-CB 3.31Å; F245-S249 WeakPolarHBondContact O-CB 3.48Å; F245-S249 PolarHBondContact O-N 3.07Å; F245-S249 PolarHBondContact O-OG 3.1Å; S249-P251 VanDerWaalsContact C-CD 3.43Å; S249-P251 VanDerWaalsContact O-CD 3.24Å; S249-P251 WeakPolarHBondContact O-CD 3.27Å; S249-A273 VanDerWaalsContact OG-CB 3.29Å; S249-A273 WeakPolarHBondContact OG-CB 3.21Å
250L94.8Very high93.8Very high0 Ų033 Ų330%019%0.186CC..  trans-118.772.6-177.3-58.5176.6000111.4V217 L220 E221 L229 T246 Q252 L253V217-L250 HydrophobicContact CG1-CD1 4.31Å; V217-L250 HydrophobicContact CG1-CD2 4.18Å; V217-L250 HydrophobicContact CG1-CG 3.98Å; L220-L250 HydrophobicContact CB-CD1 4.27Å; L220-L250 HydrophobicContact CB-CD2 4.44Å; E221-L250 VanDerWaalsContact CA-CD2 3.47Å; E221-L250 HydrophobicContact CB-CD2 3.78Å; E221-L250 HydrophobicContact CG-CD2 4.32Å; L229-L250 HydrophobicContact CD2-CD1 3.96Å; T246-L250 HydrophobicContact CG2-CD1 3.94Å; T246-L250 WeakPolarHBondContact O-CB 3.22Å; T246-L250 PolarHBondContact O-N 3.25Å; T246-L250 VanDerWaalsContact O-N 3.1Å; L250-Q252 VanDerWaalsContact CA-OE1 3.32Å; L250-Q252 PolarHBondContact O-N 2.97Å; L250-Q252 VanDerWaalsContact O-N 3.15Å; L250-L253 HydrophobicContact CB-CD1 3.66Å; L250-L253 HydrophobicContact CB-CG 3.83Å; L250-L253 HydrophobicContact CD1-CD1 3.72Å; L250-L253 HydrophobicContact CD1-CG 4.36Å; L250-L253 HydrophobicContact CG-CD1 4.35Å; L250-L253 PolarHBondContact O-N 3.42Å
251P92.3Very high93.9Very high91 Ų9133.8 Ų33.859%0.59119%0.19SC*.THydrogen-bonded Turntrans-63.4-22.3-177.527-35.8000113.2S249 L253S249-P251 VanDerWaalsContact C-CD 3.43Å; S249-P251 VanDerWaalsContact O-CD 3.24Å; S249-P251 WeakPolarHBondContact O-CD 3.27Å; P251-L253 VanDerWaalsContact C-N 3.31Å; P251-L253 PolarHBondContact O-N 3.07Å
252Q93.9Very high94.1Very high38 Ų3837.1 Ų37.118%0.17821%0.21CC..THydrogen-bonded Turntrans-71.4-20.3179.273.9-81.423.800114.2L226 K227 L250L226-Q252 VanDerWaalsContact O-CG 3.29Å; L226-Q252 WeakPolarHBondContact O-CG 3.31Å; K227-Q252 WeakPolarHBondContact CD-O 3.4Å; K227-Q252 PolarHBondContact NZ-O 3.5Å; L250-Q252 VanDerWaalsContact CA-OE1 3.32Å; L250-Q252 PolarHBondContact O-N 2.97Å; L250-Q252 VanDerWaalsContact O-N 3.15Å
253L96.3Very high94.1Very high3 Ų342.4 Ų42.42%0.01624%0.243CC..  trans-64152.7-179.1-74.7178.6000111.3L226 L229 L250 P251 L261 R266L226-L253 HydrophobicContact CD2-CD2 3.87Å; L226-L253 HydrophobicContact CG-CD2 3.76Å; L229-L253 HydrophobicContact CB-CD1 4.15Å; L229-L253 HydrophobicContact CB-CD2 3.77Å; L229-L253 HydrophobicContact CD2-CD1 4.03Å; L250-L253 HydrophobicContact CB-CD1 3.66Å; L250-L253 HydrophobicContact CB-CG 3.83Å; L250-L253 HydrophobicContact CD1-CD1 3.72Å; L250-L253 HydrophobicContact CD1-CG 4.36Å; L250-L253 HydrophobicContact CG-CD1 4.35Å; L250-L253 PolarHBondContact O-N 3.42Å; P251-L253 VanDerWaalsContact C-N 3.31Å; P251-L253 PolarHBondContact O-N 3.07Å; L253-L261 HydrophobicContact CB-CD1 3.96Å; L253-R266 PolarHBondContact O-NH2 3.05Å
254S96.4Very high94.1Very high44 Ų4446.3 Ų46.331%0.30826%0.258SS..SBendtrans-120.4-29.2171.8-53.60000111.4K227 L261K227-S254 PolarHBondContact O-N 3.46Å; S254-L261 PolarHBondContact O-N 2.99Å
255C97.1Very high94Very high9 Ų949.6 Ų49.66%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-134.7129.3179.2179.90000109.7K227 T228 L229 S259 W260K227-C255 PolarHBondContact O-N 2.9Å; T228-C255 WeakPolarHBondContact CA-O 3.28Å; T228-C255 HydrophobicContact CG2-CB 4.11Å; L229-C255 PolarHBondContact N-O 2.96Å; C255-S259 WeakPolarHBondContact CA-O 3.46Å; C255-S259 PolarHBondContact SG-O 2.98Å; C255-W260 HydrophobicContact CB-CD2 4.43Å; C255-W260 HydrophobicContact CB-CE3 4.15Å; C255-W260 HydrophobicContact CB-CZ3 4.34Å
256L96.8Very high94Very high7 Ų752.2 Ų52.24%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-121.7129.6171.3179.565.5000107.7L229 L231 P243 T246 V247 S258 S259 L261L229-L256 HydrophobicContact CB-CD1 4.27Å; L229-L256 HydrophobicContact CD2-CD1 4.23Å; L229-L256 HydrophobicContact CG-CD1 4.25Å; L229-L256 CarbonylContact O-C 3.55Å; L229-L256 VanDerWaalsContact O-CA 3.32Å; L229-L256 WeakPolarHBondContact O-CA 3.42Å; L231-L256 HydrophobicContact CD1-CD1 4.33Å; P243-L256 HydrophobicContact CB-CD2 3.89Å; T246-L256 HydrophobicContact CG2-CD1 4.09Å; T246-L256 HydrophobicContact CG2-CD2 4.25Å; V247-L256 HydrophobicContact CG2-CD2 3.75Å; L256-S258 PolarHBondContact O-N 3.3Å; L256-S258 VanDerWaalsContact O-N 3.17Å; L256-S259 PolarHBondContact N-O 2.75Å; L256-S259 WeakPolarHBondContact O-CA 3.29Å; L256-S259 WeakPolarHBondContact O-CB 3.37Å; L256-S259 PolarHBondContact O-N 2.96Å; L256-S259 VanDerWaalsContact O-O 3.11Å; L256-L261 HydrophobicContact CB-CD1 4.31Å; L256-L261 HydrophobicContact CB-CD2 4.16Å; L256-L261 HydrophobicContact CB-CG 4.32Å
257D94.8Very high94Very high15 Ų1560.6 Ų60.68%0.0832%0.316CS..THydrogen-bonded Turntrans60.132.9168.4-89.73.5000114.6L229 L231 K232 Y242 S259L229-D257 PolarHBondContact O-N 3.36Å; L231-D257 PolarHBondContact N-OD1 2.96Å; K232-D257 HydrophobicContact CD-CB 4.33Å; K232-D257 WeakPolarHBondContact CE-O 3.26Å; K232-D257 HydrophobicContact CG-CB 3.91Å; K232-D257 WeakPolarHBondContact CG-OD1 3.45Å; K232-D257 WeakPolarHBondContact CG-OD2 3.28Å; K232-D257 PolarHBondContact N-OD1 3.49Å; K232-D257 PolarHBondContact NZ-O 3.43Å; Y242-D257 WeakPolarHBondContact CE1-OD2 3.21Å; Y242-D257 PolarHBondContact OH-OD1 3.37Å; Y242-D257 PolarHBondContact OH-OD2 3.17Å; D257-S259 PolarHBondContact O-N 3.26Å
258S90.6Very high93.9Very high95 Ų9563 Ų6366%0.66433%0.328SS*.THydrogen-bonded Turntrans69.910.1-173.1-45.20000115.3L256L256-S258 PolarHBondContact O-N 3.3Å; L256-S258 VanDerWaalsContact O-N 3.17Å
259S92.7Very high93.8Very high65 Ų6562 Ų6246%0.45532%0.322SS..EExtended strand (participates in β ladder)trans-109.1129.9174.2-62.30000110.5C255 L256 D257 L261C255-S259 WeakPolarHBondContact CA-O 3.46Å; C255-S259 PolarHBondContact SG-O 2.98Å; L256-S259 PolarHBondContact N-O 2.75Å; L256-S259 WeakPolarHBondContact O-CA 3.29Å; L256-S259 WeakPolarHBondContact O-CB 3.37Å; L256-S259 PolarHBondContact O-N 2.96Å; L256-S259 VanDerWaalsContact O-O 3.11Å; D257-S259 PolarHBondContact O-N 3.26Å; S259-L261 PolarHBondContact O-N 2.8Å
260W95.6Very high93.7Very high187 Ų18768 Ų6871%0.70835%0.346SS*.EExtended strand (participates in β ladder)trans-71.2127.5172.3-68.698.8000110C255 T262C255-W260 HydrophobicContact CB-CD2 4.43Å; C255-W260 HydrophobicContact CB-CE3 4.15Å; C255-W260 HydrophobicContact CB-CZ3 4.34Å; W260-T262 PolarHBondContact O-N 3.31Å
261L95.1Very high93.3Very high28 Ų2868.6 Ų68.615%0.14735%0.353CS..PPolyproline II helixtrans-76.6117-178.5-67.8173.3000110.3V247 L253 S254 L256 S259V247-L261 HydrophobicContact CG1-CD1 4.43Å; V247-L261 HydrophobicContact CG1-CD2 4.17Å; V247-L261 HydrophobicContact CG2-CD1 4.45Å; V247-L261 HydrophobicContact CG2-CD2 3.68Å; L253-L261 HydrophobicContact CB-CD1 3.96Å; S254-L261 PolarHBondContact O-N 2.99Å; L256-L261 HydrophobicContact CB-CD1 4.31Å; L256-L261 HydrophobicContact CB-CD2 4.16Å; L256-L261 HydrophobicContact CB-CG 4.32Å; S259-L261 PolarHBondContact O-N 2.8Å
262T93.8Very high93.1Very high70 Ų7064.2 Ų64.243%0.42932%0.324SS..PPolyproline II helixtrans-84.2160.8176.563.90000111.8W260 E264 E265 R266W260-T262 PolarHBondContact O-N 3.31Å; T262-E264 VanDerWaalsContact C-N 3.25Å; T262-E264 PolarHBondContact O-N 2.92Å; T262-E265 PolarHBondContact N-OE2 2.86Å; T262-E265 PolarHBondContact O-N 2.91Å; T262-E265 VanDerWaalsContact OG1-CG 3.3Å; T262-E265 WeakPolarHBondContact OG1-CG 3.44Å; T262-E265 PolarHBondContact OG1-N 2.88Å; T262-E265 PolarHBondContact OG1-OE2 2.95Å; T262-R266 WeakPolarHBondContact O-CG 3.49Å; T262-R266 PolarHBondContact O-N 2.8Å
263T91.9Very high92.7Very high123 Ų12363.6 Ų63.676%0.75533%0.325SS*.Hα-helixtrans-61.5-36174.7-49.10000112R266 Y267T263-R266 PolarHBondContact O-N 2.82Å; T263-Y267 PolarHBondContact O-N 2.84Å
264E92.4Very high92.1Very high126 Ų12673.2 Ų73.259%0.58936%0.362SS*.Hα-helixtrans-63.5-48.1178.1-172.569.8-173.400111.6T262 R266 Y267 N268T262-E264 VanDerWaalsContact C-N 3.25Å; T262-E264 PolarHBondContact O-N 2.92Å; E264-R266 VanDerWaalsContact C-N 3.28Å; E264-R266 PolarHBondContact O-N 2.93Å; E264-Y267 WeakPolarHBondContact O-CB 3.47Å; E264-Y267 PolarHBondContact O-N 3.41Å; E264-Y267 VanDerWaalsContact O-N 3.11Å; E264-N268 VanDerWaalsContact O-CG 3.3Å; E264-N268 PolarHBondContact O-N 3.1Å; E264-N268 PolarHBondContact O-ND2 3.47Å
265E90.6Very high91.4Very high69 Ų6973.8 Ų73.832%0.32236%0.361SS..Hα-helixtrans-60-40.4176.9-73.4165.6136.500111.6T262 Y267 N268 F269T262-E265 PolarHBondContact N-OE2 2.86Å; T262-E265 PolarHBondContact O-N 2.91Å; T262-E265 VanDerWaalsContact OG1-CG 3.3Å; T262-E265 WeakPolarHBondContact OG1-CG 3.44Å; T262-E265 PolarHBondContact OG1-N 2.88Å; T262-E265 PolarHBondContact OG1-OE2 2.95Å; E265-Y267 VanDerWaalsContact C-N 3.33Å; E265-Y267 PolarHBondContact O-N 2.83Å; E265-N268 PolarHBondContact O-N 2.88Å; E265-F269 WeakPolarHBondContact O-CD2 3.4Å; E265-F269 PolarHBondContact O-N 3.39Å
266R93.4Very high89.7Confident69 Ų6978.3 Ų78.326%0.2638%0.384SS..Hα-helixtrans-63.6-40.4175.3-69-179-172.5-76.6-2.3112.3V247 L253 T262 T263 E264 F269 F270V247-R266 HydrophobicContact CG1-CG 4.07Å; L253-R266 PolarHBondContact O-NH2 3.05Å; T262-R266 WeakPolarHBondContact O-CG 3.49Å; T262-R266 PolarHBondContact O-N 2.8Å; T263-R266 PolarHBondContact O-N 2.82Å; E264-R266 VanDerWaalsContact C-N 3.28Å; E264-R266 PolarHBondContact O-N 2.93Å; R266-F269 PolarHBondContact O-N 3.18Å; R266-F270 PolarHBondContact O-N 3.17Å; R266-F270 VanDerWaalsContact O-N 3.08Å
267Y93Very high88Confident176 Ų17685.1 Ų85.169%0.6942%0.421SS*.Hα-helixtrans-64.4-43.2177.1-176.2-98.8000111.2T263 E264 E265 F269 F270T263-Y267 PolarHBondContact O-N 2.84Å; E264-Y267 WeakPolarHBondContact O-CB 3.47Å; E264-Y267 PolarHBondContact O-N 3.41Å; E264-Y267 VanDerWaalsContact O-N 3.11Å; E265-Y267 VanDerWaalsContact C-N 3.33Å; E265-Y267 PolarHBondContact O-N 2.83Å; Y267-F269 VanDerWaalsContact C-N 3.26Å; Y267-F269 PolarHBondContact O-N 3.38Å; Y267-F270 VanDerWaalsContact O-CB 3.3Å; Y267-F270 WeakPolarHBondContact O-CB 3.44Å; Y267-F270 PolarHBondContact O-N 3.17Å; Y267-F270 VanDerWaalsContact O-N 3.15Å
268N92.8Very high86.3Confident54 Ų5487.7 Ų87.729%0.28943%0.434SS..Hα-helixtrans-61.3-33.1179.8-71.7-24.7000113.3E264 E265 S650 V651E264-N268 VanDerWaalsContact O-CG 3.3Å; E264-N268 PolarHBondContact O-N 3.1Å; E264-N268 PolarHBondContact O-ND2 3.47Å; E265-N268 PolarHBondContact O-N 2.88Å; N268-S650 CarbonylContact O-C 3.48Å; N268-S650 WeakPolarHBondContact O-CA 3.3Å; N268-V651 WeakPolarHBondContact O-CG2 3.18Å; N268-V651 PolarHBondContact O-N 2.92Å
269F91.6Very high85.1Confident15 Ų1583.3 Ų83.37%0.06640%0.403CS..THydrogen-bonded Turntrans-97.61.4179.1-61.2-56.7000114.2P243 V247 D248 E265 R266 Y267 G271 L272 W648 K649P243-F269 HydrophobicContact CG-CE2 4.5Å; P243-F269 HydrophobicContact CG-CZ 4.35Å; V247-F269 HydrophobicContact CB-CD2 4.21Å; V247-F269 HydrophobicContact CG1-CD2 4.24Å; V247-F269 HydrophobicContact CG2-CD2 4.48Å; D248-F269 WeakPolarHBondContact CB-O 3.44Å; D248-F269 VanDerWaalsContact CG-O 3.3Å; E265-F269 WeakPolarHBondContact O-CD2 3.4Å; E265-F269 PolarHBondContact O-N 3.39Å; R266-F269 PolarHBondContact O-N 3.18Å; Y267-F269 VanDerWaalsContact C-N 3.26Å; Y267-F269 PolarHBondContact O-N 3.38Å; F269-G271 PolarHBondContact O-N 2.86Å; F269-L272 HydrophobicContact CD1-CD2 4.28Å; F269-L272 VanDerWaalsContact O-CB 3.24Å; F269-L272 WeakPolarHBondContact O-CB 3.48Å; F269-L272 PolarHBondContact O-N 3.48Å; F269-L272 VanDerWaalsContact O-N 3.08Å; F269-W648 WeakPolarHBondContact CE1-O 3.35Å; F269-K649 VanDerWaalsContact CE1-C 3.42Å; F269-K649 VanDerWaalsContact CE1-O 3.32Å; F269-K649 WeakPolarHBondContact CE1-O 3.2Å; F269-K649 WeakPolarHBondContact CZ-O 3.46Å
270F91.3Very high84.3Confident143 Ų14384.8 Ų84.863%0.62740%0.403SS*.THydrogen-bonded Turntrans-59.4121.6-173.2179.8-99.4000112.3D248 R266 Y267 V651D248-F270 WeakPolarHBondContact OD1-CA 3.26Å; R266-F270 PolarHBondContact O-N 3.17Å; R266-F270 VanDerWaalsContact O-N 3.08Å; Y267-F270 VanDerWaalsContact O-CB 3.3Å; Y267-F270 WeakPolarHBondContact O-CB 3.44Å; Y267-F270 PolarHBondContact O-N 3.17Å; Y267-F270 VanDerWaalsContact O-N 3.15Å; F270-V651 WeakPolarHBondContact O-CG2 3.44Å
271G87.9Confident83.6Confident13 Ų1378.2 Ų78.213%0.13438%0.382CS..THydrogen-bonded Turntrans86.50.4178.300000114.8D248 F269 A273 R274D248-G271 VanDerWaalsContact CG-N 3.27Å; D248-G271 PolarHBondContact OD1-N 3.14Å; D248-G271 VanDerWaalsContact OD2-C 3.28Å; D248-G271 WeakPolarHBondContact OD2-CA 3.31Å; D248-G271 PolarHBondContact OD2-N 3.38Å; D248-G271 VanDerWaalsContact OD2-N 3.11Å; F269-G271 PolarHBondContact O-N 2.86Å; G271-A273 VanDerWaalsContact C-N 3.25Å; G271-A273 PolarHBondContact O-N 3.5Å; G271-R274 WeakPolarHBondContact O-CB 3.18Å; G271-R274 PolarHBondContact O-N 3.26Å
272L87.4Confident83.3Confident0 Ų078.2 Ų78.20%038%0.383CS..G310 helixtrans-58.9-37.4175.5-168.961.9000112.1D248 F269 R274 I275 W648 V651 A654D248-L272 HydrophobicContact CB-CB 4.49Å; D248-L272 PolarHBondContact OD2-N 3.27Å; F269-L272 HydrophobicContact CD1-CD2 4.28Å; F269-L272 VanDerWaalsContact O-CB 3.24Å; F269-L272 WeakPolarHBondContact O-CB 3.48Å; F269-L272 PolarHBondContact O-N 3.48Å; F269-L272 VanDerWaalsContact O-N 3.08Å; L272-R274 PolarHBondContact O-N 3.18Å; L272-I275 HydrophobicContact CD1-CD1 4.46Å; L272-I275 PolarHBondContact O-N 3.43Å; L272-I275 VanDerWaalsContact O-N 3.13Å; L272-W648 HydrophobicContact CD1-CE3 4.16Å; L272-W648 HydrophobicContact CD1-CZ3 4.2Å; L272-W648 HydrophobicContact CD2-CE3 4.44Å; L272-V651 HydrophobicContact CB-CG2 4Å; L272-V651 HydrophobicContact CD1-CG2 4.39Å; L272-A654 HydrophobicContact CD1-CB 3.84Å
273A85.5Confident83.2Confident24 Ų2474.9 Ų74.920%0.19836%0.363CS..G310 helixtrans-65.1-19.7178.100000113.1F245 D248 S249 G271F245-A273 HydrophobicContact CD2-CB 4.21Å; F245-A273 HydrophobicContact CE2-CB 4.08Å; D248-A273 HydrophobicContact CB-CB 4.24Å; D248-A273 WeakPolarHBondContact OD2-CB 3.4Å; D248-A273 PolarHBondContact OD2-N 3.48Å; S249-A273 VanDerWaalsContact OG-CB 3.29Å; S249-A273 WeakPolarHBondContact OG-CB 3.21Å; G271-A273 VanDerWaalsContact C-N 3.25Å; G271-A273 PolarHBondContact O-N 3.5Å
274R84.3Confident83.3Confident206 Ų20669.7 Ų69.778%0.77733%0.331SS*.G310 helixtrans-84.4-14.9178.3-59.3175.865.1-170.9-0.3112.5G271 L272 N276G271-R274 WeakPolarHBondContact O-CB 3.18Å; G271-R274 PolarHBondContact O-N 3.26Å; L272-R274 PolarHBondContact O-N 3.18Å; R274-N276 VanDerWaalsContact C-N 3.27Å; R274-N276 PolarHBondContact O-N 2.8Å
275I80.1Confident83.4Confident55 Ų5563.7 Ų63.728%0.28230%0.303SS..  trans-88.272.7-178.3-43.3174.3000109L272 D277 L278 V651L272-I275 HydrophobicContact CD1-CD1 4.46Å; L272-I275 PolarHBondContact O-N 3.43Å; L272-I275 VanDerWaalsContact O-N 3.13Å; I275-D277 PolarHBondContact O-N 3.17Å; I275-D277 VanDerWaalsContact O-N 3.1Å; I275-L278 HydrophobicContact CB-CD1 4.29Å; I275-L278 HydrophobicContact CD1-CD1 4.48Å; I275-L278 HydrophobicContact CG2-CB 4.07Å; I275-L278 HydrophobicContact CG2-CD1 3.37Å; I275-L278 HydrophobicContact CG2-CG 3.67Å; I275-L278 PolarHBondContact O-N 2.93Å; I275-V651 HydrophobicContact CD1-CG1 3.62Å
276N62Low83.5Confident105 Ų10562.4 Ų62.456%0.56130%0.3SS*.THydrogen-bonded Turntrans-59.8-21.9-172.7-82.5-30000114.6R214 R274R214-N276 PolarHBondContact NH1-O 2.85Å; R214-N276 PolarHBondContact NH2-O 3.48Å; R274-N276 VanDerWaalsContact C-N 3.27Å; R274-N276 PolarHBondContact O-N 2.8Å
277D61.9Low83.5Confident150 Ų15059.1 Ų59.180%0.80229%0.288SS*.THydrogen-bonded Turntrans-88.3-9.5-175.8-60.3-29.2000113.8I275I275-D277 PolarHBondContact O-N 3.17Å; I275-D277 VanDerWaalsContact O-N 3.1Å
278L59.3Low83.5Confident69 Ų6951.9 Ų51.936%0.36126%0.263SS..THydrogen-bonded Turntrans-106.2-24.2-173.6-69.8176.6000114.6I275 E280 W648 A654I275-L278 HydrophobicContact CB-CD1 4.29Å; I275-L278 HydrophobicContact CD1-CD1 4.48Å; I275-L278 HydrophobicContact CG2-CB 4.07Å; I275-L278 HydrophobicContact CG2-CD1 3.37Å; I275-L278 HydrophobicContact CG2-CG 3.67Å; I275-L278 PolarHBondContact O-N 2.93Å; L278-E280 PolarHBondContact O-N 3.45Å; L278-W648 HydrophobicContact CB-CH2 4.15Å; L278-A654 HydrophobicContact CD1-CB 4.09Å
279V64.8Low83.4Confident3 Ų349.4 Ų49.42%0.01825%0.249CC..  trans-8367.1-176.3-175.60000109.7R214 F245R214-V279 HydrophobicContact CG-CG1 4.33Å; R214-V279 VanDerWaalsContact CZ-O 3.26Å; R214-V279 PolarHBondContact NE-O 3.1Å; R214-V279 VanDerWaalsContact NH2-C 3.29Å; R214-V279 PolarHBondContact NH2-O 2.87Å; F245-V279 HydrophobicContact CB-CG1 4.5Å; F245-V279 HydrophobicContact CD2-CB 4.4Å; F245-V279 HydrophobicContact CD2-CG1 3.97Å; F245-V279 HydrophobicContact CD2-CG2 3.82Å; F245-V279 HydrophobicContact CE2-CG1 4.37Å; F245-V279 HydrophobicContact CE2-CG2 4.4Å; F245-V279 HydrophobicContact CG-CG1 4.12Å
280E75.3Confident83.3Confident95 Ų9550.9 Ų50.944%0.44426%0.26SS..  trans-77.1141.4169.7-64.2-174.5161.300109.5L278 V282L278-E280 PolarHBondContact O-N 3.45Å; E280-V282 HydrophobicContact CB-CB 4.22Å; E280-V282 HydrophobicContact CB-CG2 3.89Å; E280-V282 PolarHBondContact O-N 2.8Å
281D81.8Confident83.2Confident49 Ų4948.7 Ų48.726%0.26225%0.247SC..SBendtrans-76.256.3171.4-68.6-42.7000110L488D281-L488 HydrophobicContact CB-CD1 4.06Å; D281-L488 WeakPolarHBondContact O-CD1 3.45Å
282V88.9Confident83.2Confident29 Ų2948.2 Ų48.218%0.17624%0.242CC..  trans-123126.6-177.4177.60000109.3P240 E280 R484 I485P240-V282 WeakPolarHBondContact CD-O 3.02Å; E280-V282 HydrophobicContact CB-CB 4.22Å; E280-V282 HydrophobicContact CB-CG2 3.89Å; E280-V282 PolarHBondContact O-N 2.8Å; V282-R484 HydrophobicContact CG1-CB 3.97Å; V282-R484 HydrophobicContact CG1-CG 4.35Å; V282-I485 WeakPolarHBondContact CA-O 3.33Å
283A91.8Very high83.2Confident0 Ų053.7 Ų53.70%026%0.262CS..EExtended strand (participates in β ladder)trans-85.1137.2171.700000110.1M238 R484 I485 L488 L491M238-A283 HydrophobicContact CB-CB 4.24Å; A283-R484 WeakPolarHBondContact O-CA 3.32Å; A283-I485 PolarHBondContact N-O 3.29Å; A283-I485 PolarHBondContact O-N 2.9Å; A283-L488 HydrophobicContact CB-CD2 3.63Å; A283-L491 HydrophobicContact CB-CD2 3.46Å; A283-L491 VanDerWaalsContact CB-CD2 3.46Å
284S92.4Very high82.9Confident13 Ų1353.2 Ų53.29%0.09126%0.26CS..EExtended strand (participates in β ladder)trans-111.2113.6174176.30000108.3Y483 E646S284-Y483 WeakPolarHBondContact CA-O 3.5Å; S284-E646 WeakPolarHBondContact CB-OE2 3.34Å; S284-E646 PolarHBondContact O-N 3.42Å; S284-E646 PolarHBondContact OG-OE2 3.31Å
285V94.6Very high82.8Confident0 Ų043.9 Ų43.90%023%0.226CC..EExtended strand (participates in β ladder)trans-119.1128.7-175.1-1710000109.2F322 A482 Y483 I485 L491 F495 V643 E644 L645V285-F322 HydrophobicContact CB-CE1 4.5Å; V285-F322 HydrophobicContact CB-CZ 4.38Å; V285-F322 HydrophobicContact CG1-CE1 4.44Å; V285-F322 HydrophobicContact CG1-CZ 3.91Å; V285-A482 CarbonylContact O-C 3.58Å; V285-A482 WeakPolarHBondContact O-CA 3.16Å; V285-Y483 PolarHBondContact N-O 2.97Å; V285-Y483 PolarHBondContact O-N 3.31Å; V285-I485 HydrophobicContact CG2-CD1 4.08Å; V285-L491 HydrophobicContact CG2-CD2 4.42Å; V285-F495 HydrophobicContact CG1-CZ 4.29Å; V285-F495 HydrophobicContact CG2-CZ 4.06Å; V285-V643 HydrophobicContact CG1-CG1 3.7Å; V285-E644 CarbonylContact C-O 3.29Å; V285-E644 WeakPolarHBondContact CA-O 3.44Å; V285-L645 HydrophobicContact CG2-CD2 3.73Å
286T93.6Very high82.4Confident43 Ų4343 Ų4326%0.26422%0.224SC..EExtended strand (participates in β ladder)trans-109.7126.6172.6-590000110T480 L481 V643 E644T286-T480 HydrophobicContact CG2-CG2 3.49Å; T286-T480 VanDerWaalsContact CG2-CG2 3.49Å; T286-L481 CarbonylContact C-O 3.6Å; T286-L481 WeakPolarHBondContact CA-O 3.31Å; T286-V643 CarbonylContact O-C 3.53Å; T286-V643 WeakPolarHBondContact O-CA 3.45Å; T286-E644 PolarHBondContact N-O 3.47Å; T286-E644 PolarHBondContact O-N 2.75Å
287L94.2Very high83Confident0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-111.2126.5173.8-173.3152.8000109.1L289 Y320 F322 T480 L481 Y483 L499 L641 S642 V643L287-L289 HydrophobicContact CD2-CD1 4.34Å; L287-L289 HydrophobicContact CD2-CG 4Å; L287-Y320 HydrophobicContact CD1-CD2 4.15Å; L287-Y320 HydrophobicContact CD1-CE2 3.72Å; L287-Y320 HydrophobicContact CD2-CE1 4.18Å; L287-Y320 HydrophobicContact CD2-CE2 4.33Å; L287-F322 HydrophobicContact CD1-CD2 4.33Å; L287-T480 CarbonylContact O-C 3.31Å; L287-T480 VanDerWaalsContact O-CA 3.3Å; L287-T480 WeakPolarHBondContact O-CA 3.33Å; L287-L481 PolarHBondContact N-O 2.78Å; L287-L481 PolarHBondContact O-N 2.95Å; L287-Y483 HydrophobicContact CB-CE2 3.99Å; L287-L499 HydrophobicContact CD1-CD2 3.87Å; L287-L641 HydrophobicContact CD1-CD1 4.17Å; L287-L641 HydrophobicContact CD2-CD1 3.82Å; L287-L641 HydrophobicContact CG-CD1 3.78Å; L287-S642 CarbonylContact C-O 3.37Å; L287-S642 WeakPolarHBondContact CA-O 3.06Å; L287-V643 HydrophobicContact CD1-CG2 4.2Å; L287-V643 HydrophobicContact CG-CG2 4.19Å
288S91.8Very high83.4Confident24 Ų2433.9 Ų33.917%0.16818%0.176CC..EExtended strand (participates in β ladder)trans-126.2128.6-179.2-55.50000110.7Y479 T480 L641 S642S288-Y479 CarbonylContact C-O 3.59Å; S288-Y479 VanDerWaalsContact CA-O 3.3Å; S288-Y479 WeakPolarHBondContact CA-O 3.49Å; S288-T480 WeakPolarHBondContact OG-CG2 3.19Å; S288-T480 PolarHBondContact OG-OG1 3.47Å; S288-L641 CarbonylContact O-C 3.48Å; S288-L641 WeakPolarHBondContact O-CA 3.41Å; S288-S642 PolarHBondContact N-O 3.08Å; S288-S642 PolarHBondContact O-N 3.21Å
289L91.8Very high83.8Confident1 Ų134.9 Ų34.91%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-113114.4170-65.5167.8000107.8L287 V318 Y320 T466 L477 N478 Y479 L501 V639 E640 L641L287-L289 HydrophobicContact CD2-CD1 4.34Å; L287-L289 HydrophobicContact CD2-CG 4Å; L289-V318 HydrophobicContact CD1-CB 4.33Å; L289-V318 HydrophobicContact CD1-CG1 4.16Å; L289-Y320 HydrophobicContact CD1-CD1 4.39Å; L289-Y320 HydrophobicContact CD1-CE1 4.19Å; L289-T466 HydrophobicContact CD1-CG2 3.51Å; L289-L477 HydrophobicContact CB-CD1 4.07Å; L289-L477 WeakPolarHBondContact O-CB 3.5Å; L289-N478 PolarHBondContact O-N 2.79Å; L289-Y479 HydrophobicContact CB-CD1 4.48Å; L289-Y479 HydrophobicContact CD1-CD1 4.03Å; L289-Y479 PolarHBondContact N-O 2.83Å; L289-Y479 PolarHBondContact O-N 3Å; L289-L501 HydrophobicContact CD2-CD1 3.97Å; L289-V639 HydrophobicContact CD2-CG1 3.76Å; L289-E640 WeakPolarHBondContact CA-O 3.47Å; L289-L641 HydrophobicContact CD2-CB 4.02Å; L289-L641 HydrophobicContact CD2-CD1 3.55Å; L289-L641 HydrophobicContact CD2-CG 4.39Å; L289-L641 HydrophobicContact CG-CD1 4.24Å
290T89.6Confident83.6Confident47 Ų4741 Ų4129%0.28821%0.211SC..EExtended strand (participates in β ladder)trans-98.8-63.6-169.948.10000112.3D476 L477 N478 E640T290-D476 CarbonylContact O-C 3.55Å; T290-L477 PolarHBondContact O-N 2.81Å; T290-N478 PolarHBondContact O-N 2.94Å; T290-E640 PolarHBondContact N-O 3.29Å; T290-E640 VanDerWaalsContact N-O 3.1Å; T290-E640 WeakPolarHBondContact OG1-CB 3.32Å; T290-E640 PolarHBondContact OG1-OE2 3.15Å
291R88.2Confident82.7Confident96 Ų9644.9 Ų44.936%0.36222%0.223SC..EExtended strand (participates in β ladder)trans-125.5135.6-171.7-71.2-172.5-75.8-102.2-6.7112D476 V639 E640R291-D476 WeakPolarHBondContact CG-OD1 3.48Å; R291-V639 VanDerWaalsContact O-CA 3.31Å; R291-V639 WeakPolarHBondContact O-CA 3.43Å; R291-E640 HydrophobicContact CB-CG 4.4Å; R291-E640 IonicContact CZ-OE1 3.8Å; R291-E640 IonicContact CZ-OE2 3.45Å; R291-E640 VanDerWaalsContact CZ-OE2 3.25Å; R291-E640 VanDerWaalsContact NE-CD 3.34Å; R291-E640 IonicContact NE-OE1 3.05Å; R291-E640 PolarHBondContact NE-OE1 3.26Å; R291-E640 IonicContact NE-OE2 3.34Å; R291-E640 PolarHBondContact NE-OE2 3.34Å; R291-E640 VanDerWaalsContact NE-OE2 3.17Å; R291-E640 VanDerWaalsContact NH2-CD 3.31Å; R291-E640 IonicContact NH2-OE1 2.68Å; R291-E640 PolarHBondContact NH2-OE1 2.9Å; R291-E640 IonicContact NH2-OE2 3.87Å; R291-E640 PolarHBondContact NH2-OE2 2.92Å; R291-E640 PolarHBondContact O-N 3.13Å
292L88.2Confident81.6Confident3 Ų346.5 Ų46.52%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-113.8126.6169.7171.564000108.6I295 A475 L477 L503 V637 T638 V639L292-I295 HydrophobicContact CD1-CD1 4.2Å; L292-I295 HydrophobicContact CD1-CG1 4.19Å; L292-I295 HydrophobicContact CD2-CD1 3.41Å; L292-I295 VanDerWaalsContact CD2-CD1 3.41Å; L292-I295 HydrophobicContact CD2-CG1 4.28Å; L292-I295 HydrophobicContact CG-CD1 3.73Å; L292-I295 HydrophobicContact CG-CG1 4.11Å; L292-A475 PolarHBondContact N-O 3.49Å; L292-A475 PolarHBondContact O-N 3.23Å; L292-L477 HydrophobicContact CB-CD1 3.93Å; L292-L477 HydrophobicContact CB-CG 4.25Å; L292-L503 HydrophobicContact CD1-CD1 4.18Å; L292-V637 HydrophobicContact CD1-CG1 3.87Å; L292-T638 WeakPolarHBondContact CA-O 3.47Å; L292-V639 HydrophobicContact CB-CG2 4.3Å; L292-V639 HydrophobicContact CD1-CG2 3.33Å; L292-V639 HydrophobicContact CG-CG2 4.35Å
293R86.5Confident79.9Confident115 Ų11551.6 Ų51.643%0.43426%0.261SS..EExtended strand (participates in β ladder)trans-133.4156.5-176.1-66.6-177.3178.9174.62.5111.9C474 V637 T638R293-C474 HydrophobicContact CG-CB 4.27Å; R293-V637 CarbonylContact O-C 3.34Å; R293-V637 VanDerWaalsContact O-CA 3.26Å; R293-V637 WeakPolarHBondContact O-CA 3.1Å; R293-V637 WeakPolarHBondContact O-CG1 3.47Å; R293-T638 PolarHBondContact N-O 3.27Å; R293-T638 PolarHBondContact O-N 2.95Å
294G80.3Confident78.1Confident15 Ų1561.1 Ų61.116%0.15530%0.302CS..  trans83.37.8166.500000115E473 V637G294-E473 PolarHBondContact N-O 3.21Å; G294-V637 VanDerWaalsContact O-CG2 3.25Å; G294-V637 WeakPolarHBondContact O-CG2 3.49Å
295I80.9Confident76.2Confident9 Ų969.8 Ų69.85%0.04634%0.338CS..PPolyproline II helixtrans-62.2125.8174.2-51.6174.7000107.8L292 Y316 W471 V637L292-I295 HydrophobicContact CD1-CD1 4.2Å; L292-I295 HydrophobicContact CD1-CG1 4.19Å; L292-I295 HydrophobicContact CD2-CD1 3.41Å; L292-I295 VanDerWaalsContact CD2-CD1 3.41Å; L292-I295 HydrophobicContact CD2-CG1 4.28Å; L292-I295 HydrophobicContact CG-CD1 3.73Å; L292-I295 HydrophobicContact CG-CG1 4.11Å; I295-Y316 HydrophobicContact CD1-CD1 4.39Å; I295-Y316 HydrophobicContact CD1-CD2 3.98Å; I295-Y316 HydrophobicContact CD1-CG 3.79Å; I295-Y316 HydrophobicContact CG2-CD1 4.02Å; I295-Y316 HydrophobicContact CG2-CD2 3.96Å; I295-Y316 HydrophobicContact CG2-CE1 3.77Å; I295-Y316 HydrophobicContact CG2-CE2 3.71Å; I295-Y316 HydrophobicContact CG2-CG 4.11Å; I295-W471 PolarHBondContact O-NE1 3.32Å; I295-V637 HydrophobicContact CG1-CG1 4.36Å
296P72.1Confident74.4Confident38 Ų3873.5 Ų73.525%0.24737%0.369CS..PPolyproline II helixtrans-68.8142.9178.128.6-33.8000110.7P298 W471 L594 V596P296-P298 VanDerWaalsContact O-CD 3.3Å; P296-P298 WeakPolarHBondContact O-CD 3.45Å; P296-W471 VanDerWaalsContact C-NE1 3.3Å; P296-W471 VanDerWaalsContact O-CD1 3.29Å; P296-W471 PolarHBondContact O-NE1 3.29Å; P296-L594 HydrophobicContact CG-CB 3.93Å; P296-V596 HydrophobicContact CB-CG2 3.57Å; P296-V596 HydrophobicContact CG-CG2 3.56Å
297D76.1Confident72.7Confident37 Ų3776.8 Ų76.820%0.19839%0.389CS..PPolyproline II helixtrans-64.3116.7177.5173.58.3000110L299 M300 W471D297-L299 PolarHBondContact O-N 3.14Å; D297-L299 VanDerWaalsContact O-N 3.16Å; D297-L299 PolarHBondContact OD1-N 3.28Å; D297-M300 HydrophobicContact CB-CG 3.42Å; D297-M300 VanDerWaalsContact CB-CG 3.42Å; D297-M300 HydrophobicContact CB-SD 4.28Å; D297-M300 VanDerWaalsContact O-CG 3.3Å; D297-M300 WeakPolarHBondContact O-CG 3.24Å; D297-M300 PolarHBondContact O-N 2.87Å; D297-W471 VanDerWaalsContact CA-CE2 3.4Å; D297-W471 HydrophobicContact CB-CD2 4Å; D297-W471 HydrophobicContact CB-CE3 4.26Å; D297-W471 HydrophobicContact CB-CH2 3.71Å; D297-W471 HydrophobicContact CB-CZ2 3.44Å; D297-W471 VanDerWaalsContact CB-CZ2 3.44Å; D297-W471 HydrophobicContact CB-CZ3 4.11Å
298P70Confident71.4Confident25 Ų2583.9 Ų83.916%0.16242%0.422CS..THydrogen-bonded Turntrans-68.1-12.9-177.427.2-33.7000113.3P296 Y314 W471P296-P298 VanDerWaalsContact O-CD 3.3Å; P296-P298 WeakPolarHBondContact O-CD 3.45Å; P298-Y314 HydrophobicContact CB-CD1 4.33Å; P298-Y314 HydrophobicContact CB-CD2 3.39Å; P298-Y314 HydrophobicContact CB-CE2 3.71Å; P298-Y314 HydrophobicContact CB-CG 3.73Å; P298-Y314 HydrophobicContact CG-CD2 3.78Å; P298-Y314 HydrophobicContact CG-CG 4.02Å; P298-W471 VanDerWaalsContact CD-CG 3.44Å; P298-W471 HydrophobicContact CG-CB 4.13Å; P298-W471 HydrophobicContact CG-CG 4.33Å
299L68.1Low70.4Confident90 Ų9086.6 Ų86.647%0.47143%0.431SS..THydrogen-bonded Turntrans-111.312.5-177.2-60.9176.2000113.7D297 Y301 V302D297-L299 PolarHBondContact O-N 3.14Å; D297-L299 VanDerWaalsContact O-N 3.16Å; D297-L299 PolarHBondContact OD1-N 3.28Å; L299-Y301 PolarHBondContact O-N 2.7Å; L299-V302 HydrophobicContact CB-CG2 4.48Å; L299-V302 HydrophobicContact CD2-CG2 3.92Å; L299-V302 PolarHBondContact O-N 3.4Å; L299-V302 VanDerWaalsContact O-N 3.15Å
300M59.5Low69.8Low131 Ų13188.3 Ų88.365%0.64544%0.442SS*.THydrogen-bonded Turntrans-53.5-23.7-179.4-72.8-125.585.100114.9D297D297-M300 HydrophobicContact CB-CG 3.42Å; D297-M300 VanDerWaalsContact CB-CG 3.42Å; D297-M300 HydrophobicContact CB-SD 4.28Å; D297-M300 VanDerWaalsContact O-CG 3.3Å; D297-M300 WeakPolarHBondContact O-CG 3.24Å; D297-M300 PolarHBondContact O-N 2.87Å
301Y56.5Low69.3Low177 Ų17788.3 Ų88.369%0.69444%0.442SS*.THydrogen-bonded Turntrans-110.68.8-173.9-57.2-75.5000114.3L299L299-Y301 PolarHBondContact O-N 2.7Å
302V58.8Low68.9Low84 Ų8486 Ų8651%0.50944%0.438SS..  trans-95118.8-179.5-172.90000110.1L299 K304L299-V302 HydrophobicContact CB-CG2 4.48Å; L299-V302 HydrophobicContact CD2-CG2 3.92Å; L299-V302 PolarHBondContact O-N 3.4Å; L299-V302 VanDerWaalsContact O-N 3.15Å; V302-K304 PolarHBondContact O-N 3.34Å
303D52.6Low68.7Low136 Ų13688.3 Ų88.373%0.72745%0.453SS*.  trans-68.4118.7178.6-152.9-9.3000109.6K305D303-K305 PolarHBondContact O-N 3.1Å
304K54.5Low68.6Low199 Ų19985.1 Ų85.187%0.86544%0.441SS*.THydrogen-bonded Turntrans-71.120.1-163.8-69.3-178.8177.21760115.3V302V302-K304 PolarHBondContact O-N 3.34Å
305K52.3Low68.9Low195 Ų19587.9 Ų87.985%0.84845%0.449SS*.THydrogen-bonded Turntrans-107.3-0.5-165.8-76.7-173.1178176.30117.2D303D303-K305 PolarHBondContact O-N 3.1Å
306A56.1Low69.3Low78 Ų7887.7 Ų87.765%0.64545%0.448SS*.  trans-152.5144.3164.500000110.6E308A306-E308 VanDerWaalsContact C-N 3.26Å; A306-E308 PolarHBondContact O-N 2.94Å
307V58.4Low70.2Confident112 Ų11286.6 Ų86.668%0.67944%0.439SS*.  trans-76.487.5166.4-177.30000106.6F309 V311V307-F309 HydrophobicContact CG1-CE2 4.44Å; V307-F309 HydrophobicContact CG1-CZ 4.29Å; V307-V311 HydrophobicContact CG1-CG2 4.01Å
308E67.9Low70.9Confident149 Ų14984.8 Ų84.870%0.69643%0.429SS*.PPolyproline II helixtrans-80.9122.1173.9-140.5170.7-167.800108.4A306A306-E308 VanDerWaalsContact C-N 3.26Å; A306-E308 PolarHBondContact O-N 2.94Å
309F70.9Confident72Confident82 Ų8284 Ų8436%0.3642%0.424SS..SBendtrans-81.9144.5176.8-70.7-80.4000110.2V307 V311 W511 P512 L558V307-F309 HydrophobicContact CG1-CE2 4.44Å; V307-F309 HydrophobicContact CG1-CZ 4.29Å; F309-V311 HydrophobicContact CD1-CG2 3.86Å; F309-V311 HydrophobicContact CE1-CG2 3.83Å; F309-W511 HydrophobicContact CB-CE3 4.35Å; F309-P512 HydrophobicContact CD1-CG 4.33Å; F309-P512 HydrophobicContact CD2-CG 4.28Å; F309-P512 HydrophobicContact CE1-CB 4.29Å; F309-P512 HydrophobicContact CE1-CG 4.32Å; F309-P512 HydrophobicContact CE2-CG 4.28Å; F309-P512 HydrophobicContact CG-CG 4.3Å; F309-P512 HydrophobicContact CZ-CB 4.15Å; F309-P512 HydrophobicContact CZ-CG 4.29Å; F309-L558 HydrophobicContact CE1-CD2 3.74Å; F309-L558 HydrophobicContact CZ-CD2 4.46Å
310P77.5Confident73.2Confident37 Ų3779.7 Ų79.724%0.2440%0.402CS..SBendcis-80.4144.16.930.2-32000113.8V312 L509 S510 W511P310-V312 PolarHBondContact O-N 2.61Å; P310-V312 VanDerWaalsContact O-N 3.17Å; P310-L509 HydrophobicContact CB-CB 4.13Å; P310-L509 HydrophobicContact CG-CB 4.49Å; P310-L509 HydrophobicContact CG-CD2 4.19Å; P310-S510 CarbonylContact C-O 3.58Å; P310-S510 VanDerWaalsContact CA-O 3.31Å; P310-S510 WeakPolarHBondContact CA-O 3.35Å; P310-W511 HydrophobicContact CB-CD2 3.84Å; P310-W511 HydrophobicContact CB-CE3 3.99Å; P310-W511 HydrophobicContact CB-CH2 3.84Å; P310-W511 HydrophobicContact CB-CZ2 3.66Å; P310-W511 HydrophobicContact CB-CZ3 3.99Å; P310-W511 VanDerWaalsContact CD-CH2 3.49Å; P310-W511 HydrophobicContact CG-CH2 3.65Å; P310-W511 HydrophobicContact CG-CZ2 3.66Å; P310-W511 HydrophobicContact CG-CZ3 4.16Å
311V79.6Confident74.7Confident47 Ų4778.5 Ų78.529%0.28540%0.395SS..EExtended strand (participates in β ladder)trans-71111.4170.6178.50000108.6V307 F309 S510V307-V311 HydrophobicContact CG1-CG2 4.01Å; F309-V311 HydrophobicContact CD1-CG2 3.86Å; F309-V311 HydrophobicContact CE1-CG2 3.83Å; V311-S510 PolarHBondContact N-O 3.2Å; V311-S510 PolarHBondContact O-N 3.39Å; V311-S510 PolarHBondContact O-OG 3.13Å
312V80.4Confident76.3Confident47 Ų4770.1 Ų70.129%0.28536%0.362SS..EExtended strand (participates in β ladder)trans-86.8121.4179.4-169.20000110P310 Y314 K507 L509P310-V312 PolarHBondContact O-N 2.61Å; P310-V312 VanDerWaalsContact O-N 3.17Å; V312-Y314 HydrophobicContact CB-CE2 4.24Å; V312-Y314 HydrophobicContact CG1-CD2 3.92Å; V312-Y314 HydrophobicContact CG1-CE2 3.3Å; V312-K507 HydrophobicContact CG1-CD 4.26Å; V312-K507 HydrophobicContact CG1-CG 3.9Å; V312-L509 HydrophobicContact CB-CD2 4.36Å; V312-L509 HydrophobicContact CG1-CD2 4.15Å; V312-L509 HydrophobicContact CG2-CD2 3.75Å
313T82.9Confident77.6Confident51 Ų5166.4 Ų66.431%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-112.8125.8173.1-57.30000110.1K315 I508T313-K315 HydrophobicContact CG2-CG 4.35Å; T313-I508 PolarHBondContact N-O 3.26Å; T313-I508 PolarHBondContact O-N 3.05Å
314Y84.6Confident78.8Confident49 Ų4962.2 Ų62.219%0.19232%0.32CS..EExtended strand (participates in β ladder)trans-102.3135.6172.8-67.8-93.2000110.2P298 V312 E505 E506 K507P298-Y314 HydrophobicContact CB-CD1 4.33Å; P298-Y314 HydrophobicContact CB-CD2 3.39Å; P298-Y314 HydrophobicContact CB-CE2 3.71Å; P298-Y314 HydrophobicContact CB-CG 3.73Å; P298-Y314 HydrophobicContact CG-CD2 3.78Å; P298-Y314 HydrophobicContact CG-CG 4.02Å; V312-Y314 HydrophobicContact CB-CE2 4.24Å; V312-Y314 HydrophobicContact CG1-CD2 3.92Å; V312-Y314 HydrophobicContact CG1-CE2 3.3Å; Y314-E505 HydrophobicContact CD1-CG 3.92Å; Y314-E506 CarbonylContact C-O 3.55Å; Y314-E506 WeakPolarHBondContact CA-O 3.49Å; Y314-K507 HydrophobicContact CD1-CB 4.31Å; Y314-K507 HydrophobicContact CD1-CG 4.45Å; Y314-K507 HydrophobicContact CE1-CB 4.18Å; Y314-K507 HydrophobicContact CE1-CD 3.96Å; Y314-K507 HydrophobicContact CE1-CG 4.03Å
315K87.4Confident79.1Confident73 Ų7358.6 Ų58.632%0.31731%0.306SS..EExtended strand (participates in β ladder)trans-129.4137.9172.7-60.7-178.1-179.1175.80109.9T313 K468 L469 E505 E506 I508T313-K315 HydrophobicContact CG2-CG 4.35Å; K315-K468 HydrophobicContact CB-CB 4.14Å; K315-K468 HydrophobicContact CD-CB 4.14Å; K315-K468 HydrophobicContact CD-CD 4.45Å; K315-L469 CarbonylContact C-O 3.5Å; K315-L469 VanDerWaalsContact CA-O 3.3Å; K315-L469 WeakPolarHBondContact CA-O 3.36Å; K315-E505 CarbonylContact O-C 3.49Å; K315-E506 HydrophobicContact CB-CB 4.39Å; K315-E506 PolarHBondContact N-O 2.87Å; K315-E506 PolarHBondContact O-N 3.15Å; K315-I508 HydrophobicContact CD-CD1 4.46Å
316Y89.2Confident78.9Confident5 Ų553 Ų532%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-113.1141.5-179.2-58.7-82.3000109.9I295 L469 W471 M504 E505 L568I295-Y316 HydrophobicContact CD1-CD1 4.39Å; I295-Y316 HydrophobicContact CD1-CD2 3.98Å; I295-Y316 HydrophobicContact CD1-CG 3.79Å; I295-Y316 HydrophobicContact CG2-CD1 4.02Å; I295-Y316 HydrophobicContact CG2-CD2 3.96Å; I295-Y316 HydrophobicContact CG2-CE1 3.77Å; I295-Y316 HydrophobicContact CG2-CE2 3.71Å; I295-Y316 HydrophobicContact CG2-CG 4.11Å; Y316-L469 PolarHBondContact N-O 2.95Å; Y316-L469 PolarHBondContact O-N 2.89Å; Y316-W471 HydrophobicContact CE2-CB 4.08Å; Y316-M504 WeakPolarHBondContact CA-O 3.35Å; Y316-E505 HydrophobicContact CD1-CB 4.18Å; Y316-E505 HydrophobicContact CD1-CG 4.29Å; Y316-E505 HydrophobicContact CE1-CB 3.97Å; Y316-E505 HydrophobicContact CE1-CG 3.73Å; Y316-E505 VanDerWaalsContact CE1-OE2 3.28Å; Y316-E505 WeakPolarHBondContact CE1-OE2 3.07Å; Y316-E505 PolarHBondContact OH-OE2 3.4Å; Y316-L568 HydrophobicContact CD1-CD1 3.91Å; Y316-L568 HydrophobicContact CE1-CD1 3.95Å
317F90Very high77.8Confident14 Ų1454.3 Ų54.36%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-151.1153.4173.864.5-81.6000110.6A465 K468 M504 E506F317-A465 HydrophobicContact CD2-CB 3.86Å; F317-A465 HydrophobicContact CE2-CB 4.14Å; F317-K468 HydrophobicContact CB-CG 4.25Å; F317-K468 HydrophobicContact CD1-CG 4.01Å; F317-K468 HydrophobicContact CG-CG 4.28Å; F317-M504 HydrophobicContact CD1-CB 3.91Å; F317-M504 HydrophobicContact CD2-CB 3.95Å; F317-M504 HydrophobicContact CD2-CG 4.2Å; F317-M504 HydrophobicContact CE1-CB 3.5Å; F317-M504 HydrophobicContact CE1-CG 4.43Å; F317-M504 HydrophobicContact CE2-CB 3.57Å; F317-M504 HydrophobicContact CE2-CG 3.63Å; F317-M504 HydrophobicContact CG-CB 4.12Å; F317-M504 HydrophobicContact CZ-CB 3.33Å; F317-M504 HydrophobicContact CZ-CG 3.77Å; F317-M504 PolarHBondContact N-O 3.38Å; F317-M504 WeakPolarHBondContact O-CB 3.34Å; F317-M504 PolarHBondContact O-N 3.4Å; F317-E506 HydrophobicContact CE1-CB 4.22Å
318V92.1Very high76.5Confident0 Ų058.2 Ų58.20%029%0.291CS..EExtended strand (participates in β ladder)trans-97.3133.8173.7-179.40000107.9L289 A465 T466 L477 L501 N502 L503 V639L289-V318 HydrophobicContact CD1-CB 4.33Å; L289-V318 HydrophobicContact CD1-CG1 4.16Å; V318-A465 CarbonylContact O-C 3.56Å; V318-A465 VanDerWaalsContact O-CA 3.31Å; V318-A465 WeakPolarHBondContact O-CA 3.47Å; V318-T466 HydrophobicContact CB-CG2 4.01Å; V318-T466 PolarHBondContact N-OG1 2.87Å; V318-T466 PolarHBondContact O-N 3.16Å; V318-L477 HydrophobicContact CG2-CD1 4.45Å; V318-L501 HydrophobicContact CG1-CB 4.4Å; V318-L501 HydrophobicContact CG1-CD2 4.18Å; V318-N502 CarbonylContact C-O 3.35Å; V318-N502 WeakPolarHBondContact CA-O 3.47Å; V318-L503 HydrophobicContact CG2-CD1 4.22Å; V318-V639 HydrophobicContact CG2-CG1 4.46Å; V318-V639 HydrophobicContact CG2-CG2 4Å
319S92.8Very high74.7Confident8 Ų861.2 Ų61.26%0.05630%0.302CS..EExtended strand (participates in β ladder)trans-119.8147.8172.868.30000111Y464 N502 M504S319-Y464 CarbonylContact C-O 3.53Å; S319-Y464 WeakPolarHBondContact CA-O 3.25Å; S319-Y464 WeakPolarHBondContact CB-O 3.46Å; S319-N502 PolarHBondContact N-O 3.32Å; S319-N502 WeakPolarHBondContact O-CB 3.42Å; S319-N502 PolarHBondContact O-N 3.08Å; S319-N502 WeakPolarHBondContact OG-CB 3.3Å; S319-M504 WeakPolarHBondContact OG-CG 3.32Å
320Y93.3Very high72.5Confident0 Ų066.9 Ų66.90%032%0.322CS..EExtended strand (participates in β ladder)trans-156.3159.1-178.766.6-88.2000110.8L287 L289 F322 Y464 Y479 L481 Y483 L499 L501L287-Y320 HydrophobicContact CD1-CD2 4.15Å; L287-Y320 HydrophobicContact CD1-CE2 3.72Å; L287-Y320 HydrophobicContact CD2-CE1 4.18Å; L287-Y320 HydrophobicContact CD2-CE2 4.33Å; L289-Y320 HydrophobicContact CD1-CD1 4.39Å; L289-Y320 HydrophobicContact CD1-CE1 4.19Å; Y320-F322 HydrophobicContact CD2-CB 3.96Å; Y320-F322 HydrophobicContact CE2-CB 3.76Å; Y320-F322 HydrophobicContact CE2-CG 4.48Å; Y320-Y464 HydrophobicContact CE2-CD2 4.08Å; Y320-Y464 HydrophobicContact CE2-CG 4.15Å; Y320-Y464 PolarHBondContact N-O 3.28Å; Y320-Y464 PolarHBondContact O-N 2.8Å; Y320-Y479 AromaticContact CE1-CE1 3.89Å; Y320-Y479 HydrophobicContact CE1-CE1 3.89Å; Y320-Y479 WeakPolarHBondContact OH-CE1 3.3Å; Y320-L481 WeakPolarHBondContact OH-CD1 3.38Å; Y320-Y483 WeakPolarHBondContact CE2-OH 3.34Å; Y320-Y483 PolarHBondContact OH-OH 2.87Å; Y320-L499 HydrophobicContact CD2-CD1 4.35Å; Y320-L501 VanDerWaalsContact CB-CD2 3.48Å; Y320-L501 HydrophobicContact CD1-CD2 4.2Å; Y320-L501 HydrophobicContact CG-CD2 3.99Å
321Q91.2Very high70Confident106 Ų10676.7 Ų76.750%0.49535%0.354SS..EExtended strand (participates in β ladder)trans-105.8125.7178.5-82.4-174.2-4.200109.5V461 S462 L463 L499Q321-V461 HydrophobicContact CB-CG1 3.54Å; Q321-V461 HydrophobicContact CG-CG1 4.11Å; Q321-S462 WeakPolarHBondContact CA-O 3.28Å; Q321-L463 HydrophobicContact CG-CD1 4.04Å; Q321-L499 WeakPolarHBondContact O-CD1 3.23Å
322F90.4Very high67.5Low0 Ų078.6 Ų78.60%037%0.37CS..EExtended strand (participates in β ladder)trans-144.9167.4176.8-152.8-97.1000111.2V285 L287 Y320 S324 V461 S462 Y464 Y483 I485 F494 F495 L499V285-F322 HydrophobicContact CB-CE1 4.5Å; V285-F322 HydrophobicContact CB-CZ 4.38Å; V285-F322 HydrophobicContact CG1-CE1 4.44Å; V285-F322 HydrophobicContact CG1-CZ 3.91Å; L287-F322 HydrophobicContact CD1-CD2 4.33Å; Y320-F322 HydrophobicContact CD2-CB 3.96Å; Y320-F322 HydrophobicContact CE2-CB 3.76Å; Y320-F322 HydrophobicContact CE2-CG 4.48Å; F322-S324 PolarHBondContact O-N 3.5Å; F322-V461 CarbonylContact O-C 3.57Å; F322-V461 VanDerWaalsContact O-CA 3.3Å; F322-V461 WeakPolarHBondContact O-CA 3.31Å; F322-V461 WeakPolarHBondContact O-CG1 3.46Å; F322-S462 PolarHBondContact N-O 3.31Å; F322-S462 VanDerWaalsContact N-O 3.1Å; F322-S462 PolarHBondContact O-N 3.23Å; F322-Y464 HydrophobicContact CB-CD2 4.07Å; F322-Y464 HydrophobicContact CB-CE2 4.16Å; F322-Y483 HydrophobicContact CB-CE1 4.27Å; F322-Y483 AromaticContact CD1-CD1 3.57Å; F322-Y483 HydrophobicContact CD1-CD1 3.57Å; F322-Y483 AromaticContact CD1-CD2 3.66Å; F322-Y483 HydrophobicContact CD1-CD2 3.66Å; F322-Y483 AromaticContact CD1-CE1 3.59Å; F322-Y483 HydrophobicContact CD1-CE1 3.59Å; F322-Y483 AromaticContact CD1-CE2 3.68Å; F322-Y483 HydrophobicContact CD1-CE2 3.68Å; F322-Y483 AromaticContact CD1-CG 3.6Å; F322-Y483 HydrophobicContact CD1-CG 3.6Å; F322-Y483 AromaticContact CD1-CZ 3.64Å; F322-Y483 HydrophobicContact CE1-CD1 4.04Å; F322-Y483 AromaticContact CE1-CD2 3.55Å; F322-Y483 HydrophobicContact CE1-CD2 3.55Å; F322-Y483 HydrophobicContact CE1-CE1 4.41Å; F322-Y483 AromaticContact CE1-CE2 3.98Å; F322-Y483 HydrophobicContact CE1-CE2 3.98Å; F322-Y483 AromaticContact CE1-CG 3.59Å; F322-Y483 HydrophobicContact CE1-CG 3.59Å; F322-Y483 HydrophobicContact CG-CE1 4.31Å; F322-Y483 HydrophobicContact CG-CE2 4.29Å; F322-Y483 HydrophobicContact CZ-CD2 4.47Å; F322-I485 HydrophobicContact CE1-CD1 4.02Å; F322-F494 AromaticContact CD2-CE1 3.62Å; F322-F494 HydrophobicContact CD2-CE1 3.62Å; F322-F494 AromaticContact CD2-CZ 3.85Å; F322-F494 HydrophobicContact CD2-CZ 3.85Å; F322-F494 HydrophobicContact CE2-CD1 4.42Å; F322-F494 AromaticContact CE2-CE1 3.5Å; F322-F494 HydrophobicContact CE2-CE1 3.5Å; F322-F494 HydrophobicContact CE2-CZ 4.21Å; F322-F494 HydrophobicContact CZ-CE1 4.32Å; F322-F495 HydrophobicContact CE2-CE1 4.34Å; F322-F495 HydrophobicContact CZ-CE1 4.19Å; F322-L499 HydrophobicContact CD2-CD1 4.23Å
323F85.6Confident64.9Low7 Ų783.9 Ų83.93%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-50.8133178.5-82.4-96.4000111.7H325 W457 Y460 Y464 Y483 I485 D490 L491 F494F323-H325 PolarHBondContact O-N 2.94Å; F323-W457 HydrophobicContact CZ-CB 4.17Å; F323-Y460 CarbonylContact C-O 3.59Å; F323-Y460 VanDerWaalsContact CA-O 3.29Å; F323-Y460 WeakPolarHBondContact CA-O 3.17Å; F323-Y464 PolarHBondContact O-OH 2.96Å; F323-Y483 WeakPolarHBondContact O-CD1 3.21Å; F323-Y483 WeakPolarHBondContact O-CE1 3.47Å; F323-I485 HydrophobicContact CB-CD1 3.81Å; F323-I485 HydrophobicContact CB-CG1 4.04Å; F323-I485 HydrophobicContact CD1-CG2 3.99Å; F323-I485 HydrophobicContact CD2-CD1 3.96Å; F323-I485 HydrophobicContact CE1-CG2 4.24Å; F323-I485 HydrophobicContact CG-CD1 3.89Å; F323-I485 HydrophobicContact CG-CG1 4.28Å; F323-I485 HydrophobicContact CG-CG2 4.28Å; F323-D490 HydrophobicContact CE1-CB 4.25Å; F323-D490 HydrophobicContact CZ-CB 4.08Å; F323-L491 HydrophobicContact CD2-CD1 4.05Å; F323-L491 HydrophobicContact CE2-CB 4.36Å; F323-L491 HydrophobicContact CE2-CD1 3.79Å; F323-L491 HydrophobicContact CZ-CB 4.33Å; F323-F494 HydrophobicContact CD2-CD1 4.29Å; F323-F494 HydrophobicContact CD2-CG 4.41Å; F323-F494 HydrophobicContact CE2-CB 3.61Å; F323-F494 AromaticContact CE2-CD1 3.93Å; F323-F494 HydrophobicContact CE2-CD1 3.93Å; F323-F494 HydrophobicContact CE2-CD2 4.38Å; F323-F494 AromaticContact CE2-CG 3.73Å; F323-F494 HydrophobicContact CE2-CG 3.73Å; F323-F494 HydrophobicContact CZ-CB 4.19Å
324S78.1Confident62.6Low47 Ų4790.3 Ų90.333%0.32942%0.42SS..  trans-59.7133.4177.160.80000109.5F322 N326 Y460 S462F322-S324 PolarHBondContact O-N 3.5Å; S324-N326 PolarHBondContact O-N 2.91Å; S324-Y460 PolarHBondContact N-O 2.98Å; S324-Y460 PolarHBondContact OG-O 3.41Å; S324-S462 VanDerWaalsContact CB-OG 3.23Å; S324-S462 WeakPolarHBondContact CB-OG 3.36Å
325H59.3Low59.9Low124 Ų12494.8 Ų94.857%0.57445%0.447SS*.  trans-59.5110.6171.4-169.2-50000108.2F323 P327 Y464F323-H325 PolarHBondContact O-N 2.94Å; H325-P327 VanDerWaalsContact O-CD 3.26Å; H325-P327 WeakPolarHBondContact O-CD 3.31Å; H325-Y464 PolarHBondContact N-OH 3.39Å
326N48.1Very low57.2Low77 Ų7797.7 Ų97.741%0.41247%0.471SS..  trans-76116.4176.2-153.7-8.3000108.2S324 Y328S324-N326 PolarHBondContact O-N 2.91Å; N326-Y328 VanDerWaalsContact C-N 3.31Å; N326-Y328 VanDerWaalsContact ND2-CE2 3.32Å; N326-Y328 WeakPolarHBondContact ND2-CE2 3.31Å; N326-Y328 PolarHBondContact O-N 2.96Å; N326-Y328 VanDerWaalsContact O-N 3.17Å
327P33.3Very low54.3Low106 Ų106106.1 Ų106.169%0.68851%0.508SS*.  trans-89.668.8179.936.3-29.6000109.1H325 K329H325-P327 VanDerWaalsContact O-CD 3.26Å; H325-P327 WeakPolarHBondContact O-CD 3.31Å; P327-K329 PolarHBondContact O-N 2.76Å
328Y31.2Very low51.3Low194 Ų194112.5 Ų112.576%0.76154%0.543SS*.  trans-72.9113.7158.9-78.9-72.7000107.9N326 Y330N326-Y328 VanDerWaalsContact C-N 3.31Å; N326-Y328 VanDerWaalsContact ND2-CE2 3.32Å; N326-Y328 WeakPolarHBondContact ND2-CE2 3.31Å; N326-Y328 PolarHBondContact O-N 2.96Å; N326-Y328 VanDerWaalsContact O-N 3.17Å; Y328-Y330 PolarHBondContact O-N 2.87Å
329K30.1Very low48.2Very low211 Ų211122.3 Ų122.392%0.91759%0.586SS**  trans-54.796.4171.8-78.2177.6176.2173.60109.5P327 R331P327-K329 PolarHBondContact O-N 2.76Å; K329-R331 PolarHBondContact O-N 3.17Å
330Y26.2Very low44.9Very low201 Ų201131 Ų13179%0.78862%0.622SS**  trans-76.4112.2166.7-148.9-94000108.6Y328 S332Y328-Y330 PolarHBondContact O-N 2.87Å; Y330-S332 VanDerWaalsContact C-N 3.26Å; Y330-S332 PolarHBondContact O-N 2.86Å
331R25.2Very low41.7Very low243 Ų243138.1 Ų138.192%0.91766%0.657SS**  trans-72.888167.2-159.4179.8-168.5179.43106.3K329 N333K329-R331 PolarHBondContact O-N 3.17Å; R331-N333 PolarHBondContact O-N 2.88Å; R331-N333 VanDerWaalsContact O-N 3.09Å
332S26.4Very low38.5Very low88 Ų88140 Ų14062%0.61567%0.669SS**  trans-54.3114.9178.1170.30000110.1Y330Y330-S332 VanDerWaalsContact C-N 3.26Å; Y330-S332 PolarHBondContact O-N 2.86Å
333N25.7Very low35.4Very low157 Ų157147.7 Ų147.784%0.8470%0.703SS**  trans-67.9129.2151.8-105.7-16.9000107.4R331 N335R331-N333 PolarHBondContact O-N 2.88Å; R331-N333 VanDerWaalsContact O-N 3.09Å; N333-N335 PolarHBondContact O-N 2.82Å
334K33.9Very low32.4Very low187 Ų187153.2 Ų153.281%0.81374%0.743SS**SBendtrans-59.4114.7-173.1-64.6170.7179.4174.50110.4
335N29.3Very low29.9Very low142 Ų142155.3 Ų155.376%0.75976%0.757SS**  trans171.179.2130.2-87.5-29.3000110.5N333N333-N335 PolarHBondContact O-N 2.82Å
336V29.3Very low28.2Very low135 Ų135158.7 Ų158.782%0.81877%0.773SS**  trans-135.4106.1149.4-175.60000106.4
337K29.2Very low27Very low182 Ų182160.7 Ų160.779%0.79179%0.793SS**  trans-80.2135171.2-75.2178.8178.41750108.2
338N27.2Very low26.9Very low148 Ų148161.1 Ų161.179%0.79180%0.796SS**  trans79.577.8163.8-59-16.2000118.2
339F27.3Very low26.6Very low205 Ų205160 Ų16090%0.89980%0.802SS**  trans-123110.7134.8-98.1-89.9000108.6M341F339-M341 PolarHBondContact O-N 3.05Å
340K22.9Very low26.4Very low191 Ų191154 Ų15483%0.8379%0.787SS**  trans-81.496.2178.1-172.3175.1-177.9178.10108I342K340-I342 PolarHBondContact O-N 2.84Å
341M25.1Very low26.4Very low149 Ų149155.5 Ų155.573%0.73479%0.793SS**  trans-70117.6165.2-80.8-155.2-71.900109F339 F343F339-M341 PolarHBondContact O-N 3.05Å; M341-F343 HydrophobicContact CB-CD2 4.38Å; M341-F343 HydrophobicContact CB-CE2 4.35Å; M341-F343 HydrophobicContact CE-CE2 3.77Å; M341-F343 HydrophobicContact CE-CZ 4.44Å; M341-F343 HydrophobicContact SD-CE2 3.88Å; M341-F343 HydrophobicContact SD-CZ 4.34Å
342I24.8Very low26.3Very low146 Ų146152.6 Ų152.675%0.74979%0.787SS**  trans-90.6103.1166.4-59.9175.5000106.4K340K340-I342 PolarHBondContact O-N 2.84Å
343F24.7Very low26.4Very low161 Ų161151.4 Ų151.471%0.70678%0.778SS**  trans-81.8123.2161.4-83.4-87000108.2M341M341-F343 HydrophobicContact CB-CD2 4.38Å; M341-F343 HydrophobicContact CB-CE2 4.35Å; M341-F343 HydrophobicContact CE-CE2 3.77Å; M341-F343 HydrophobicContact CE-CZ 4.44Å; M341-F343 HydrophobicContact SD-CE2 3.88Å; M341-F343 HydrophobicContact SD-CZ 4.34Å
344S22.6Very low26.6Very low124 Ų124151.5 Ų151.587%0.86778%0.778SS**  trans-113.8101156.8-171.90000106.7
345S27Very low26.4Very low90 Ų90150.7 Ų150.763%0.62978%0.777SS**  trans-118.5117.1177.551.40000109.8
346H23Very low26.4Very low195 Ų195151.5 Ų151.590%0.90378%0.776SS**  trans-138.697.7153-85.2-24.2000108.9
347S23.6Very low26.4Very low119 Ų119153.3 Ų153.383%0.83278%0.778SS**  174.8154.3119.439.50000110.5
348P31.2Very low26.5Very low116 Ų116155.9 Ų155.975%0.75378%0.783SS**  trans-112.1130.4-146.935-22.2000112.4
349L24.4Very low26.6Very low170 Ų170153 Ų15389%0.8978%0.775SS**  trans-144.299.6153.5-78.9180000109.9
350S26.1Very low26.6Very low85 Ų85149.5 Ų149.559%0.59477%0.77SS**  trans30.3110148.357.80000119.4F352S350-F352 PolarHBondContact O-N 2.76Å
351Y25.6Very low26.7Very low233 Ų233147.6 Ų147.691%0.91477%0.774SS**  trans-38.2125.8138.9-104.8-112.3000111.6
352F24.1Very low26.8Very low182 Ų182146.6 Ų146.680%0.79878%0.777SS**  trans-117.9113152.4-90.6-83000107.5S350S350-F352 PolarHBondContact O-N 2.76Å
353S27.4Very low26.8Very low62 Ų62147.1 Ų147.143%0.43478%0.78SS.*  trans-75.5131.9177.5-178.90000110E355S353-E355 PolarHBondContact O-N 2.84Å; S353-E355 VanDerWaalsContact O-N 3.12Å; S353-E355 PolarHBondContact OG-N 2.81Å
354L29.8Very low26.8Very low160 Ų160148 Ų14884%0.83879%0.786SS**THydrogen-bonded Turntrans-69.94.9173.9-90.9160.8000113.9
355E30.4Very low26.9Very low169 Ų169145 Ų14579%0.7978%0.775SS**THydrogen-bonded Turntrans-87.9-15.4177-97169.4159.400114.5S353S353-E355 PolarHBondContact O-N 2.84Å; S353-E355 VanDerWaalsContact O-N 3.12Å; S353-E355 PolarHBondContact OG-N 2.81Å
356E29.7Very low26.7Very low159 Ų159148.8 Ų148.874%0.74379%0.787SS**G310 helixtrans-92-6.1-177.6-86.3179.1150.900115R358E356-R358 VanDerWaalsContact C-N 3.31Å; E356-R358 PolarHBondContact O-N 2.87Å
357M28.7Very low26.7Very low174 Ų174144.1 Ų144.186%0.85778%0.777SS**G310 helixtrans-89.410.5-179.8-147178.9-9800113.9
358R30.2Very low26.9Very low236 Ų236149.7 Ų149.789%0.89178%0.779SS**G310 helixtrans-96.93.9176-84.6-173.7174.7-175-0.7114.8E356E356-R358 VanDerWaalsContact C-N 3.31Å; E356-R358 PolarHBondContact O-N 2.87Å
359S29.7Very low26.5Very low88 Ų88148 Ų14862%0.61577%0.77SS**SBendtrans-130.167.1-167.6-51.50000112.1
360T27.2Very low26.5Very low131 Ų131150 Ų15080%0.80477%0.766SS**  trans170.389.9146.234.80000111.1
361V25.4Very low26.3Very low150 Ų150152.5 Ų152.591%0.90977%0.772SS**  trans-150.499.7135.4-179.10000106.7
362T27.7Very low26.1Very low129 Ų129147 Ų14779%0.79176%0.763SS**  trans-117.8127.2165.94.70000107.5
363L25Very low26.6Very low157 Ų157143.9 Ų143.982%0.82276%0.763SS**  trans168133.8150.7-91.2153.5000106.7
364H24.3Very low26.8Very low178 Ų178146.3 Ų146.382%0.82478%0.777SS**  cis-177.1149.1-12.8-139.6-112.7000106.4
365G23.6Very low26.6Very low62 Ų62143.8 Ų143.864%0.63978%0.779SS**  trans123.298.8146.400000120.1
366L23.7Very low26.4Very low170 Ų170139 Ų13989%0.8978%0.776SS**  trans53.1138.6130.8-54167.8000119.8
367S23.9Very low26.2Very low97 Ų97141.9 Ų141.968%0.67878%0.78SS**  cis179165.6-2.3-97.30000109.4
368R26.3Very low26.1Very low236 Ų236141.6 Ų141.689%0.89177%0.769SS**  trans86.8142.2160.1-66.2-177.8176.2-168.7-1.7116.7
369S23.3Very low25.8Very low80 Ų80140.2 Ų140.256%0.55976%0.764SS**  cis170.9153.1-32.349.30000105.4
370R23.8Very low25.6Very low211 Ų211144.6 Ų144.680%0.79678%0.775SS**  trans82.8142.6161.1-68.1-170.9-117.4-118.4-3.9116.2
371L22.8Very low26.6Very low138 Ų138144 Ų14472%0.72377%0.773SS**  cis-164.9133.74.2-104.9153.7000106.6
372V22.4Very low26.6Very low119 Ų119140.4 Ų140.472%0.72177%0.766SS**  57.7113.7127.5178.50000119.5
373S32.6Very low26.6Very low115 Ų115143 Ų14380%0.80477%0.769SS**  trans-72.2154.1149-46.90000110.8
374P33Very low26.8Very low113 Ų113141.7 Ų141.773%0.73477%0.767SS**  -145.8134.2114.525-3.9000112.6
375A26.1Very low27Very low107 Ų107138.8 Ų138.888%0.88476%0.762SS**  80.5128.481.500000115.6
376G25.7Very low27.2Very low70 Ų70140.8 Ų140.872%0.72277%0.766SS**  trans15692.5162.800000111.6
377R25Very low27.4Very low219 Ų219144.3 Ų144.383%0.82677%0.768SS**  44.9129.396.2-78.8-171.5-172.2-160.92.6112.3
378R25.7Very low27.7Very low168 Ų168146.9 Ų146.963%0.63477%0.774SS**  cis-178.7155.834-123.6177.9-177.4-173.92.2109.6
379R25.6Very low27.9Very low206 Ų206147.5 Ų147.578%0.77778%0.776SS**  trans81.8115.2143.9-72.4176.4179.1-174.6-3.1121.6
380Q24.7Very low28.1Very low181 Ų181151 Ų15185%0.84679%0.788SS**  trans-67.5-162.5158.9-55.8-174-13.700113.2
381P47.9Very low29.2Very low117 Ų117146.7 Ų146.776%0.7679%0.788SS**  -129.6178.7-56.329.8-10.8000111.7
382G26.8Very low29.4Very low75 Ų75143.5 Ų143.577%0.77379%0.788SS**  trans178.3105.4164.600000116.9
383H27.3Very low29.6Very low184 Ų184142.8 Ų142.885%0.85279%0.789SS**  trans-12.1154.4158.1-91.1-93.1000122.6
384V28.6Very low29.5Very low129 Ų129143 Ų14378%0.78278%0.781SS**  148.299.1128.51710000109.1
385V28.4Very low29.4Very low117 Ų117148 Ų14871%0.70979%0.785SS**  65.8109.898.6179.50000116.4
386S27.4Very low29.4Very low104 Ų104149.9 Ų149.973%0.72778%0.78SS**  trans48130.1139.7-47.70000122.5
387R28.9Very low29.7Very low244 Ų244153 Ų15392%0.92179%0.786SS**  -179.1140.5110.8-100.3170.2179.4176.51.2113.7
388D28.8Very low29.8Very low152 Ų152146 Ų14681%0.81378%0.782SS**  trans-55.7150168.4-57.4-67.8000114.3
389R30.5Very low30Very low248 Ų248147.7 Ų147.794%0.93679%0.794SS**  175112.6128.6-98.3174.7-170.3-171.82.4111.9
390D28.8Very low30Very low153 Ų153146.1 Ų146.182%0.81880%0.801SS**  trans-67.8173.1141.7-96.9-28.5000109.8
391P45.2Very low30.2Very low121 Ų121144 Ų14479%0.78680%0.8SS**  cis-142.6175.417.133.6-11000116.6
392G27.8Very low29.1Very low71 Ų71143.5 Ų143.573%0.73280%0.799SS**  111.4115.3126.700000120.6
393S27.7Very low29.1Very low105 Ų105144.3 Ų144.373%0.73480%0.799SS**  85.9132.3127.9-145.60000122.8
394D29.3Very low28.9Very low119 Ų119143 Ų14364%0.63680%0.797SS**  trans91.7111.6143.7-76.2-48.5000122.7
395R31Very low28.7Very low218 Ų218143.1 Ų143.182%0.82379%0.793SS**  72.2108.2123.2-71171.9-167.7-152.8-4.1121.4
396N27.2Very low28.4Very low146 Ų146143.5 Ų143.578%0.78180%0.796SS**  75.2151.1109.1-136.310.6000121
397T31.5Very low28.2Very low137 Ų137142.5 Ų142.584%0.8479%0.794SS**  trans76.6140.7176.875.50000115
398G27.3Very low28Very low72 Ų72138.3 Ų138.374%0.74279%0.79SS**  cis162.7121.5-0.600000107.2
399K28.4Very low27.8Very low203 Ų203137.1 Ų137.188%0.88379%0.788SS**  trans27122.5161.3-69.4178175.9176.70120
400N27.2Very low28.1Very low172 Ų172130.9 Ų130.992%0.9278%0.779SS**  -159.2147.4125.3-100.1-23.8000112.5
401V27.4Very low28Very low137 Ų137128 Ų12883%0.8378%0.777SS**  trans-100.9135.1-173.3173.90000109
402S26.1Very low27.1Very low107 Ų107128.5 Ų128.575%0.74878%0.777SS**  159.2112.4127.262.50000114
403A25.4Very low27.2Very low92 Ų92132.5 Ų132.576%0.7678%0.782SS**  62.7137.3127.500000124.2
404L24.7Very low27.4Very low155 Ų155131.1 Ų131.181%0.81278%0.777SS**  trans91.1115153.1-80.6120000121.6
405D23Very low27.4Very low132 Ų132134.5 Ų134.571%0.70678%0.782SS**  trans84116.4133.7-88-6.6000123.7
406T23.1Very low27.4Very low126 Ų126130.5 Ų130.577%0.77377%0.773SS**  trans49.9115.4138.351.60000120.6
407A23.5Very low27.6Very low82 Ų82128 Ų12868%0.67876%0.763SS**  155.9143.810400000112.4
408D23.9Very low27.7Very low157 Ų157127.8 Ų127.884%0.8475%0.753SS**  trans73.2127.2148.7-71.6-15.8000119.2
409V25.6Very low27.9Very low126 Ų126131.6 Ų131.676%0.76475%0.751SS**  cis-167.4-166.814.9-161.50000108.3
410P36.3Very low28.1Very low117 Ų117130.5 Ų130.576%0.7674%0.741SS**  -107.4-179.1-81.835.7-18.3000115.5
411A27Very low28.5Very low93 Ų93128.8 Ų128.877%0.76973%0.728SS**  trans11880.4144.500000117.1
412V27Very low28.9Very low131 Ų131127.4 Ų127.479%0.79472%0.716SS**  trans-145.590.2150.7-171.90000108.3
413D29.1Very low29.4Very low156 Ų156125.2 Ų125.283%0.83470%0.704SS**  trans-13878.3165.2-95.1-31.8000107.8
414A31.4Very low30Very low76 Ų76125.1 Ų125.163%0.62869%0.694SS**SBendtrans-150.7-2.8167.500000113.5
415Y30.6Very low31Very low189 Ų189121.5 Ų121.574%0.74168%0.678SS**SBendtrans-110.5-11.8-175.4-136.9-101.4000113.9
416E30.1Very low31.7Very low135 Ų135122.1 Ų122.163%0.63168%0.675SS**SBendtrans-93.9-12.5176.6-76.6-163.1157.100114.3
417T30.8Very low32.4Very low93 Ų93121.6 Ų121.657%0.57167%0.666SS**Hα-helixtrans-76.6-30.1177.923.10000112.8E421T417-E421 PolarHBondContact O-N 3.46Å
418E34.4Very low33.2Very low133 Ų133121.1 Ų121.162%0.62166%0.655SS**Hα-helixtrans-80.8-26.8-177-133.7175.9-168.500113.4N422E418-N422 PolarHBondContact O-ND2 2.88Å
419Q30.9Very low34.2Very low151 Ų151117.1 Ų117.171%0.70663%0.633SS**Hα-helixtrans-80.5-28.3173.4-75.1-161.1-8.100113.1A423Q419-A423 WeakPolarHBondContact O-CB 3.4Å; Q419-A423 PolarHBondContact O-N 2.85Å
420R32Very low34.8Very low181 Ų181117.7 Ų117.768%0.68363%0.627SS**Hα-helixtrans-75-35175.8-85.4-179169.4165.91.4112.8A423 V424R420-A423 PolarHBondContact O-N 2.73Å; R420-V424 WeakPolarHBondContact O-CB 3.3Å; R420-V424 VanDerWaalsContact O-CG2 3.22Å; R420-V424 WeakPolarHBondContact O-CG2 3.47Å; R420-V424 PolarHBondContact O-N 2.88Å
421E35.8Very low35.1Very low135 Ų135118.4 Ų118.463%0.63162%0.623SS**Hα-helixtrans-66.5-39.9175.3-73-174.617100111.9T417 A423 V424 V425T417-E421 PolarHBondContact O-N 3.46Å; E421-A423 PolarHBondContact O-N 2.97Å; E421-V424 PolarHBondContact O-N 2.51Å; E421-V425 VanDerWaalsContact O-CG2 3.26Å; E421-V425 WeakPolarHBondContact O-CG2 3.34Å; E421-V425 PolarHBondContact O-N 2.83Å
422N37.2Very low35.9Very low109 Ų109119.4 Ų119.458%0.58362%0.615SS**Hα-helixtrans-67.4-34.7174.9-74.3-41.9000113.1E418 F426E418-N422 PolarHBondContact O-ND2 2.88Å; N422-F426 PolarHBondContact O-N 3.49Å; N422-F426 VanDerWaalsContact O-N 3.07Å
423A36.3Very low36.5Very low60 Ų60116 Ų11650%0.49661%0.607SS.*Hα-helixtrans-71.2-35.9174.900000112.8Q419 R420 E421 F426 L427Q419-A423 WeakPolarHBondContact O-CB 3.4Å; Q419-A423 PolarHBondContact O-N 2.85Å; R420-A423 PolarHBondContact O-N 2.73Å; E421-A423 PolarHBondContact O-N 2.97Å; A423-F426 PolarHBondContact O-N 3.49Å; A423-L427 WeakPolarHBondContact O-CB 3.3Å; A423-L427 PolarHBondContact O-N 3.01Å
424V38.4Very low37.2Very low91 Ų91115.1 Ų115.155%0.55260%0.601SS**Hα-helixtrans-70.5-38.7175.7172.60000110.9R420 E421 F426 L427 V428R420-V424 WeakPolarHBondContact O-CB 3.3Å; R420-V424 VanDerWaalsContact O-CG2 3.22Å; R420-V424 WeakPolarHBondContact O-CG2 3.47Å; R420-V424 PolarHBondContact O-N 2.88Å; E421-V424 PolarHBondContact O-N 2.51Å; V424-F426 VanDerWaalsContact C-N 3.34Å; V424-F426 PolarHBondContact O-N 3.01Å; V424-L427 PolarHBondContact O-N 2.92Å; V424-V428 HydrophobicContact CG1-CG2 4.23Å; V424-V428 WeakPolarHBondContact O-CB 3.45Å; V424-V428 WeakPolarHBondContact O-CG2 3.49Å; V424-V428 PolarHBondContact O-N 2.7Å
425V43.8Very low37.4Very low79 Ų79115.8 Ų115.848%0.47959%0.594SS.*Hα-helixtrans-62.8-41.2172.7171.90000111.1E421 V428 L429E421-V425 VanDerWaalsContact O-CG2 3.26Å; E421-V425 WeakPolarHBondContact O-CG2 3.34Å; E421-V425 PolarHBondContact O-N 2.83Å; V425-V428 PolarHBondContact O-N 2.94Å; V425-L429 HydrophobicContact CG1-CD1 3.76Å; V425-L429 HydrophobicContact CG1-CG 4.44Å; V425-L429 WeakPolarHBondContact O-CB 3.42Å; V425-L429 WeakPolarHBondContact O-CD1 3.3Å; V425-L429 VanDerWaalsContact O-CG 3.27Å; V425-L429 WeakPolarHBondContact O-CG 3.26Å; V425-L429 PolarHBondContact O-N 2.96Å
426F37.7Very low37.5Very low145 Ų145112.4 Ų112.464%0.63660%0.595SS**Hα-helixtrans-63.9-41.3175.9-122-90.8000112.7N422 A423 V424 H430N422-F426 PolarHBondContact O-N 3.49Å; N422-F426 VanDerWaalsContact O-N 3.07Å; A423-F426 PolarHBondContact O-N 3.49Å; V424-F426 VanDerWaalsContact C-N 3.34Å; V424-F426 PolarHBondContact O-N 3.01Å; F426-H430 WeakPolarHBondContact O-CB 3.3Å; F426-H430 PolarHBondContact O-N 3.01Å; F426-H430 VanDerWaalsContact O-N 3.14Å
427L38.5Very low37.6Very low114 Ų114110.8 Ų110.860%0.59760%0.604SS**Hα-helixtrans-70.6-38.3179-159.476.6000111.9A423 V424 H430 I431A423-L427 WeakPolarHBondContact O-CB 3.3Å; A423-L427 PolarHBondContact O-N 3.01Å; V424-L427 PolarHBondContact O-N 2.92Å; L427-H430 PolarHBondContact O-N 3.3Å; L427-I431 HydrophobicContact CG-CD1 4.11Å; L427-I431 WeakPolarHBondContact O-CD1 3.49Å; L427-I431 VanDerWaalsContact O-CG1 3.25Å; L427-I431 WeakPolarHBondContact O-CG1 3.25Å; L427-I431 PolarHBondContact O-N 2.76Å
428V41Very low37.6Very low73 Ų73111.9 Ų111.944%0.44262%0.615SS.*Hα-helixtrans-69.1-38.7177.3170.60000111.5V424 V425 H430 I431 L432V424-V428 HydrophobicContact CG1-CG2 4.23Å; V424-V428 WeakPolarHBondContact O-CB 3.45Å; V424-V428 WeakPolarHBondContact O-CG2 3.49Å; V424-V428 PolarHBondContact O-N 2.7Å; V425-V428 PolarHBondContact O-N 2.94Å; V428-H430 VanDerWaalsContact C-N 3.32Å; V428-H430 PolarHBondContact O-N 2.67Å; V428-I431 PolarHBondContact O-N 3.44Å; V428-L432 HydrophobicContact CG1-CD1 3.71Å; V428-L432 HydrophobicContact CG1-CG 4.46Å; V428-L432 WeakPolarHBondContact O-CB 3.31Å; V428-L432 VanDerWaalsContact O-CG 3.26Å; V428-L432 WeakPolarHBondContact O-CG 3.39Å; V428-L432 PolarHBondContact O-N 3.19Å
429L43.8Very low37.5Very low73 Ų73114.5 Ų114.538%0.38263%0.632SS.*Hα-helixtrans-68.4-30.3174.4-73.8166.9000112.9V425V425-L429 HydrophobicContact CG1-CD1 3.76Å; V425-L429 HydrophobicContact CG1-CG 4.44Å; V425-L429 WeakPolarHBondContact O-CB 3.42Å; V425-L429 WeakPolarHBondContact O-CD1 3.3Å; V425-L429 VanDerWaalsContact O-CG 3.27Å; V425-L429 WeakPolarHBondContact O-CG 3.26Å; V425-L429 PolarHBondContact O-N 2.96Å
430H38.5Very low37.3Very low137 Ų137111.1 Ų111.163%0.63464%0.638SS**Hα-helixtrans-73.7-39.6175.4-141.175.7000112.3F426 L427 V428F426-H430 WeakPolarHBondContact O-CB 3.3Å; F426-H430 PolarHBondContact O-N 3.01Å; F426-H430 VanDerWaalsContact O-N 3.14Å; L427-H430 PolarHBondContact O-N 3.3Å; V428-H430 VanDerWaalsContact C-N 3.32Å; V428-H430 PolarHBondContact O-N 2.67Å
431I42Very low37.1Very low132 Ų132108.1 Ų108.168%0.67764%0.644SS**Hα-helixtrans-73.3-28.2179-67166.9000111.8L427 V428L427-I431 HydrophobicContact CG-CD1 4.11Å; L427-I431 WeakPolarHBondContact O-CD1 3.49Å; L427-I431 VanDerWaalsContact O-CG1 3.25Å; L427-I431 WeakPolarHBondContact O-CG1 3.25Å; L427-I431 PolarHBondContact O-N 2.76Å; V428-I431 PolarHBondContact O-N 3.44Å
432L45Very low36.5Very low115 Ų115110.6 Ų110.660%0.60266%0.658SS**THydrogen-bonded Turntrans-86.11.6178.1-69.1171.3000114.6V428 L434V428-L432 HydrophobicContact CG1-CD1 3.71Å; V428-L432 HydrophobicContact CG1-CG 4.46Å; V428-L432 WeakPolarHBondContact O-CB 3.31Å; V428-L432 VanDerWaalsContact O-CG 3.26Å; V428-L432 WeakPolarHBondContact O-CG 3.39Å; V428-L432 PolarHBondContact O-N 3.19Å; L432-L434 VanDerWaalsContact C-N 3.28Å; L432-L434 HydrophobicContact CB-CD1 4.5Å; L432-L434 PolarHBondContact O-N 2.92Å
433G38.6Very low36Very low60 Ų60114 Ų11462%0.61967%0.673SS**THydrogen-bonded Turntrans67.220.7172.900000115.6
434L44.8Very low35.5Very low136 Ų136115.6 Ų115.671%0.71269%0.686SS**  trans-93.512-177.5-69.1171.5000114L432L432-L434 VanDerWaalsContact C-N 3.28Å; L432-L434 HydrophobicContact CB-CD1 4.5Å; L432-L434 PolarHBondContact O-N 2.92Å
435L35.3Very low35.5Very low90 Ų90116.2 Ų116.247%0.47169%0.692SS.*SBendtrans-109.6138164.3-92.7156.1000108.9A437L435-A437 PolarHBondContact O-N 3.33Å
436P32.7Very low34.9Very low118 Ų118121.4 Ų121.477%0.76671%0.711SS**  trans-63.6121.9174.3-11.625000109.5C438P436-C438 PolarHBondContact O-N 3.04Å; P436-C438 VanDerWaalsContact O-N 3.11Å
437A32.2Very low34.7Very low101 Ų101117.9 Ų117.984%0.83572%0.715SS**  trans-68.6104.3171.300000109.6L435L435-A437 PolarHBondContact O-N 3.33Å
438C31.3Very low34.2Very low117 Ų117122.5 Ų122.579%0.79173%0.731SS**  trans-135.482.9163.9-84.10000109.9P436P436-C438 PolarHBondContact O-N 3.04Å; P436-C438 VanDerWaalsContact O-N 3.11Å
439L32.1Very low33.8Very low187 Ų187123.2 Ų123.298%0.97975%0.745SS**  trans-159.499.9148.6-105.3135.4000109.1
440G26.1Very low33.2Very low80 Ų80129.2 Ų129.283%0.82577%0.77SS**  trans-168.893.5177.500000110.9
441S27.9Very low33.1Very low118 Ų118129 Ų12983%0.82578%0.778SS**  trans-46.3137.6-175.7-174.80000117.8
442M24.1Very low32.8Very low188 Ų188125 Ų12593%0.92677%0.769SS**  trans-158.9109.9143.3-108.4176.2139.500111.9
443M25.1Very low33.2Very low180 Ų180125.7 Ų125.789%0.88778%0.781SS**  trans22.2105.2153.8-64.8-84.7-179.500121.6
444A26.8Very low34.1Very low94 Ų94129.9 Ų129.978%0.77779%0.785SS**  trans52.2161.2133.600000123.1
445P39.4Very low35.4Very low104 Ų104125.5 Ų125.568%0.67576%0.764SS**  cis-133.2173.9-17.933.4-12.2000115.9
446H30.3Very low37.2Very low187 Ų187124.7 Ų124.787%0.86676%0.763SS**  trans73.4108.7161.1-66.3-64.3000120.7
447G33Very low39.2Very low71 Ų71120.5 Ų120.573%0.73273%0.732SS**  trans101.164.713400000117.3
448F29.2Very low41.1Very low212 Ų212117.5 Ų117.593%0.9371%0.707SS**  trans-132.3129.8158.1-88.7-84.4000111.4
449A32Very low42.9Very low88 Ų88119.2 Ų119.273%0.72771%0.708SS**  trans-57144.7-179.200000111.7V451A449-V451 PolarHBondContact O-N 3.33Å
450H30.3Very low45Very low199 Ų199115.3 Ų115.392%0.92168%0.681SS**  trans-48.8105.6170.6-86.2-79.6000111.3G452H450-G452 PolarHBondContact O-N 2.77Å
451V36.4Very low47.8Very low131 Ų131112.7 Ų112.779%0.79465%0.649SS**  trans-80.7109160.9-177.60000105.8A449A449-V451 PolarHBondContact O-N 3.33Å
452G36.8Very low50.5Low48 Ų48109.3 Ų109.350%0.49563%0.625SS.*PPolyproline II helixtrans-61.9172.2173.600000112.2H450 Q454H450-G452 PolarHBondContact O-N 2.77Å; G452-Q454 PolarHBondContact O-N 3.45Å
453P53Low53.6Low131 Ų131105.9 Ų105.985%0.85161%0.61SS**PPolyproline II helixtrans-55.7133174.823.2-31.5000110.1
454Q58.2Low56.7Low148 Ų14899.2 Ų99.269%0.69258%0.575SS**PPolyproline II helixtrans-53.1139.3175.2-75.3-80.2-2.900109.8G452 T456G452-Q454 PolarHBondContact O-N 3.45Å; Q454-T456 PolarHBondContact O-N 2.9Å
455P72Confident59.6Low44 Ų4497 Ų9729%0.28656%0.556SS.*PPolyproline II helixtrans-61.6138.4179.522.5-29.4000110.6W457 A458P455-W457 HydrophobicContact CB-CD2 4.37Å; P455-W457 HydrophobicContact CB-CG 4.34Å; P455-W457 HydrophobicContact CB-CZ2 4.37Å; P455-W457 HydrophobicContact CG-CD2 4.43Å; P455-W457 HydrophobicContact CG-CZ2 3.9Å; P455-W457 PolarHBondContact O-N 3.05Å; P455-W457 VanDerWaalsContact O-N 3.07Å; P455-A458 HydrophobicContact CG-CB 4.29Å; P455-A458 WeakPolarHBondContact O-CB 3.38Å; P455-A458 PolarHBondContact O-N 3.21Å
456T72.2Confident62Low72 Ų7292.3 Ų92.344%0.44253%0.526SS..G310 helixtrans-56.8-29.6-174.555.80000113.7Q454 A458 D490 K493Q454-T456 PolarHBondContact O-N 2.9Å; T456-A458 VanDerWaalsContact C-N 3.28Å; T456-A458 PolarHBondContact O-N 2.99Å; T456-D490 PolarHBondContact OG1-OD1 2.9Å; T456-K493 PolarHBondContact OG1-NZ 3.39Å
457W74.8Confident64.7Low30 Ų3087.2 Ų87.211%0.11451%0.509CS..G310 helixtrans-71.1-18.6178.162.3-106.2000113.7F323 P455 L459 Y460 V461 D490 F494 H497F323-W457 HydrophobicContact CZ-CB 4.17Å; P455-W457 HydrophobicContact CB-CD2 4.37Å; P455-W457 HydrophobicContact CB-CG 4.34Å; P455-W457 HydrophobicContact CB-CZ2 4.37Å; P455-W457 HydrophobicContact CG-CD2 4.43Å; P455-W457 HydrophobicContact CG-CZ2 3.9Å; P455-W457 PolarHBondContact O-N 3.05Å; P455-W457 VanDerWaalsContact O-N 3.07Å; W457-L459 PolarHBondContact O-N 2.89Å; W457-L459 VanDerWaalsContact O-N 3.14Å; W457-Y460 PolarHBondContact O-N 2.94Å; W457-V461 HydrophobicContact CE3-CB 4.28Å; W457-V461 HydrophobicContact CE3-CG2 3.5Å; W457-V461 VanDerWaalsContact CE3-CG2 3.5Å; W457-V461 HydrophobicContact CZ3-CB 4.27Å; W457-V461 HydrophobicContact CZ3-CG1 4.37Å; W457-V461 HydrophobicContact CZ3-CG2 3.78Å; W457-D490 HydrophobicContact CB-CB 3.9Å; W457-F494 HydrophobicContact CD2-CB 4.39Å; W457-F494 AromaticContact CD2-CD2 3.85Å; W457-F494 HydrophobicContact CD2-CD2 3.85Å; W457-F494 AromaticContact CE3-CD2 3.68Å; W457-F494 HydrophobicContact CE3-CD2 3.68Å; W457-F494 HydrophobicContact CE3-CE2 4.25Å; W457-F494 HydrophobicContact CG-CB 4.31Å; W457-F494 AromaticContact CH2-CD2 3.92Å; W457-F494 HydrophobicContact CH2-CD2 3.92Å; W457-F494 HydrophobicContact CH2-CE2 4.07Å; W457-F494 HydrophobicContact CZ2-CD2 4.06Å; W457-F494 AromaticContact CZ3-CD2 3.72Å; W457-F494 HydrophobicContact CZ3-CD2 3.72Å; W457-F494 AromaticContact CZ3-CE2 3.88Å; W457-F494 HydrophobicContact CZ3-CE2 3.88Å; W457-H497 AromaticContact NE1-ND1 3.89Å
458A71.9Confident67.4Low38 Ų3888 Ų8831%0.31449%0.492SS..G310 helixtrans-61.4-24.7-176.700000113.1P455 T456 Y460P455-A458 HydrophobicContact CG-CB 4.29Å; P455-A458 WeakPolarHBondContact O-CB 3.38Å; P455-A458 PolarHBondContact O-N 3.21Å; T456-A458 VanDerWaalsContact C-N 3.28Å; T456-A458 PolarHBondContact O-N 2.99Å; A458-Y460 VanDerWaalsContact C-N 3.25Å; A458-Y460 PolarHBondContact O-N 3.47Å
459L69.9Low70Confident154 Ų15479.9 Ų79.981%0.80646%0.459SS*.G310 helixtrans-70.2-21.8175.4-64174.5000113.2W457W457-L459 PolarHBondContact O-N 2.89Å; W457-L459 VanDerWaalsContact O-N 3.14Å
460Y75.4Confident72.4Confident105 Ų10580.1 Ų80.141%0.41245%0.453SS..G310 helixtrans-106.311.4-174.1-58.5-71.2000112.9F323 S324 W457 A458F323-Y460 CarbonylContact C-O 3.59Å; F323-Y460 VanDerWaalsContact CA-O 3.29Å; F323-Y460 WeakPolarHBondContact CA-O 3.17Å; S324-Y460 PolarHBondContact N-O 2.98Å; S324-Y460 PolarHBondContact OG-O 3.41Å; W457-Y460 PolarHBondContact O-N 2.94Å; A458-Y460 VanDerWaalsContact C-N 3.25Å; A458-Y460 PolarHBondContact O-N 3.47Å
461V85.2Confident74.8Confident25 Ų2574.5 Ų74.515%0.15242%0.423CS..EExtended strand (participates in β ladder)trans-111136.6-174.5164.70000110.8Q321 F322 W457Q321-V461 HydrophobicContact CB-CG1 3.54Å; Q321-V461 HydrophobicContact CG-CG1 4.11Å; F322-V461 CarbonylContact O-C 3.57Å; F322-V461 VanDerWaalsContact O-CA 3.3Å; F322-V461 WeakPolarHBondContact O-CA 3.31Å; F322-V461 WeakPolarHBondContact O-CG1 3.46Å; W457-V461 HydrophobicContact CE3-CB 4.28Å; W457-V461 HydrophobicContact CE3-CG2 3.5Å; W457-V461 VanDerWaalsContact CE3-CG2 3.5Å; W457-V461 HydrophobicContact CZ3-CB 4.27Å; W457-V461 HydrophobicContact CZ3-CG1 4.37Å; W457-V461 HydrophobicContact CZ3-CG2 3.78Å
462S85.6Confident76.7Confident47 Ų4770.6 Ų70.633%0.32940%0.402SS..EExtended strand (participates in β ladder)trans-115.3150.5176.2-67.60000110.7Q321 F322 S324 Y464Q321-S462 WeakPolarHBondContact CA-O 3.28Å; F322-S462 PolarHBondContact N-O 3.31Å; F322-S462 VanDerWaalsContact N-O 3.1Å; F322-S462 PolarHBondContact O-N 3.23Å; S324-S462 VanDerWaalsContact CB-OG 3.23Å; S324-S462 WeakPolarHBondContact CB-OG 3.36Å; S462-Y464 VanDerWaalsContact O-CD2 3.25Å; S462-Y464 WeakPolarHBondContact O-CD2 3.42Å; S462-Y464 WeakPolarHBondContact O-CE2 3.47Å
463L89.1Confident78.6Confident115 Ų11575.7 Ų75.760%0.60241%0.413SS*.EExtended strand (participates in β ladder)trans-80.5121.8172.5-176.469.2000109.3Q321Q321-L463 HydrophobicContact CG-CD1 4.04Å
464Y88.6Confident80Confident41 Ų4172 Ų7216%0.16139%0.39CS..EExtended strand (participates in β ladder)trans-107.4150.4173.2-66.5-85.7000109.8S319 Y320 F322 F323 H325 S462 L481 Y483S319-Y464 CarbonylContact C-O 3.53Å; S319-Y464 WeakPolarHBondContact CA-O 3.25Å; S319-Y464 WeakPolarHBondContact CB-O 3.46Å; Y320-Y464 HydrophobicContact CE2-CD2 4.08Å; Y320-Y464 HydrophobicContact CE2-CG 4.15Å; Y320-Y464 PolarHBondContact N-O 3.28Å; Y320-Y464 PolarHBondContact O-N 2.8Å; F322-Y464 HydrophobicContact CB-CD2 4.07Å; F322-Y464 HydrophobicContact CB-CE2 4.16Å; F323-Y464 PolarHBondContact O-OH 2.96Å; H325-Y464 PolarHBondContact N-OH 3.39Å; S462-Y464 VanDerWaalsContact O-CD2 3.25Å; S462-Y464 WeakPolarHBondContact O-CD2 3.42Å; S462-Y464 WeakPolarHBondContact O-CE2 3.47Å; Y464-L481 HydrophobicContact CD1-CD1 3.66Å; Y464-L481 HydrophobicContact CE1-CD1 4.08Å; Y464-L481 HydrophobicContact CG-CD1 4.35Å; Y464-Y483 HydrophobicContact CD2-CE1 4.48Å; Y464-Y483 HydrophobicContact CE1-CE1 4.28Å; Y464-Y483 AromaticContact CE2-CE1 3.85Å; Y464-Y483 HydrophobicContact CE2-CE1 3.85Å; Y464-Y483 AromaticContact CZ-CE1 3.76Å
465A89.2Confident81.1Confident46 Ų4665.6 Ų65.638%0.3836%0.362SS..EExtended strand (participates in β ladder)trans-140.5141.5175.700000110F317 V318 Y479F317-A465 HydrophobicContact CD2-CB 3.86Å; F317-A465 HydrophobicContact CE2-CB 4.14Å; V318-A465 CarbonylContact O-C 3.56Å; V318-A465 VanDerWaalsContact O-CA 3.31Å; V318-A465 WeakPolarHBondContact O-CA 3.47Å; A465-Y479 PolarHBondContact O-OH 2.85Å
466T89.9Confident81.6Confident6 Ų668.2 Ų68.24%0.03737%0.374CS..PPolyproline II helixtrans-68.8161.7171.264.50000110.5L289 V318 K468 L477 Y479L289-T466 HydrophobicContact CD1-CG2 3.51Å; V318-T466 HydrophobicContact CB-CG2 4.01Å; V318-T466 PolarHBondContact N-OG1 2.87Å; V318-T466 PolarHBondContact O-N 3.16Å; T466-K468 PolarHBondContact O-N 3.46Å; T466-L477 HydrophobicContact CG2-CD2 4.24Å; T466-Y479 HydrophobicContact CG2-CD1 3.98Å; T466-Y479 HydrophobicContact CG2-CD2 4.32Å; T466-Y479 HydrophobicContact CG2-CE1 4.35Å; T466-Y479 HydrophobicContact CG2-CG 3.93Å
467P86.8Confident82.1Confident80 Ų8065.6 Ų65.652%0.51936%0.357SS..PPolyproline II helixtrans-51.4142.6164.9-25.434.9000110.8L469P467-L469 PolarHBondContact O-N 3.25Å
468K88.4Confident82.6Confident87 Ų8770 Ų7038%0.37838%0.382SS..PPolyproline II helixtrans-76.3122.1178.3-62178.6-175.8174.70109K315 F317 T466 E506K315-K468 HydrophobicContact CB-CB 4.14Å; K315-K468 HydrophobicContact CD-CB 4.14Å; K315-K468 HydrophobicContact CD-CD 4.45Å; F317-K468 HydrophobicContact CB-CG 4.25Å; F317-K468 HydrophobicContact CD1-CG 4.01Å; F317-K468 HydrophobicContact CG-CG 4.28Å; T466-K468 PolarHBondContact O-N 3.46Å; K468-E506 VanDerWaalsContact CD-OE1 3.3Å; K468-E506 WeakPolarHBondContact CD-OE1 3.3Å; K468-E506 WeakPolarHBondContact CE-OE1 3.4Å; K468-E506 WeakPolarHBondContact CE-OE2 3.42Å; K468-E506 IonicContact NZ-OE1 3.74Å; K468-E506 PolarHBondContact NZ-OE1 3.17Å; K468-E506 IonicContact NZ-OE2 3.25Å; K468-E506 PolarHBondContact NZ-OE2 3.03Å
469L84Confident83.3Confident42 Ų4269.8 Ų69.822%0.2237%0.374CS..EExtended strand (participates in β ladder)trans-107.2141.5-178.8-62.5179.5000110.5K315 Y316 P467 A475 L477K315-L469 CarbonylContact C-O 3.5Å; K315-L469 VanDerWaalsContact CA-O 3.3Å; K315-L469 WeakPolarHBondContact CA-O 3.36Å; Y316-L469 PolarHBondContact N-O 2.95Å; Y316-L469 PolarHBondContact O-N 2.89Å; P467-L469 PolarHBondContact O-N 3.25Å; L469-A475 HydrophobicContact CD1-CB 3.9Å; L469-L477 HydrophobicContact CD1-CD2 3.61Å; L469-L477 HydrophobicContact CD1-CG 4.33Å
470P82.9Confident84.3Confident93 Ų9366.4 Ų66.460%0.60436%0.36SS*.EExtended strand (participates in β ladder)trans-64.8167.1166.331.5-34.8000110.1S472P470-S472 PolarHBondContact O-N 3.4Å
471W81.6Confident85.1Confident81 Ų8163.8 Ų63.831%0.30735%0.353SS..  trans-58.9136.8174.5178.178.4000112I295 P296 D297 P298 Y316 E473I295-W471 PolarHBondContact O-NE1 3.32Å; P296-W471 VanDerWaalsContact C-NE1 3.3Å; P296-W471 VanDerWaalsContact O-CD1 3.29Å; P296-W471 PolarHBondContact O-NE1 3.29Å; D297-W471 VanDerWaalsContact CA-CE2 3.4Å; D297-W471 HydrophobicContact CB-CD2 4Å; D297-W471 HydrophobicContact CB-CE3 4.26Å; D297-W471 HydrophobicContact CB-CH2 3.71Å; D297-W471 HydrophobicContact CB-CZ2 3.44Å; D297-W471 VanDerWaalsContact CB-CZ2 3.44Å; D297-W471 HydrophobicContact CB-CZ3 4.11Å; P298-W471 VanDerWaalsContact CD-CG 3.44Å; P298-W471 HydrophobicContact CG-CB 4.13Å; P298-W471 HydrophobicContact CG-CG 4.33Å; Y316-W471 HydrophobicContact CE2-CB 4.08Å; W471-E473 HydrophobicContact CH2-CG 3.97Å; W471-E473 HydrophobicContact CZ2-CG 3.89Å
472S75.8Confident85.3Confident50 Ų5065.5 Ų65.535%0.3537%0.37SS..  trans-154.6148.2170.2-178.90000108.5P470 C474P470-S472 PolarHBondContact O-N 3.4Å; S472-C474 PolarHBondContact O-N 3.31Å; S472-C474 PolarHBondContact OG-O 3.1Å
473E76.6Confident85.6Confident155 Ų15563.5 Ų63.572%0.72436%0.355SS*.SBendtrans-58.6-37.5176.2-66.4-177.7171.900112.3G294 W471G294-E473 PolarHBondContact N-O 3.21Å; W471-E473 HydrophobicContact CH2-CG 3.97Å; W471-E473 HydrophobicContact CZ2-CG 3.89Å
474C81Confident85.6Confident54 Ų5466.1 Ų66.137%0.36536%0.357SS..EExtended strand (participates in β ladder)trans-139.2129.7172.2-174.60000108.4R293 S472R293-C474 HydrophobicContact CG-CB 4.27Å; S472-C474 PolarHBondContact O-N 3.31Å; S472-C474 PolarHBondContact OG-O 3.1Å
475A82.6Confident85.7Confident13 Ų1364.5 Ų64.511%0.10735%0.351CS..EExtended strand (participates in β ladder)trans-124.1125.8178.400000110.1L292 L469 L477L292-A475 PolarHBondContact N-O 3.49Å; L292-A475 PolarHBondContact O-N 3.23Å; L469-A475 HydrophobicContact CD1-CB 3.9Å; A475-L477 PolarHBondContact O-N 3.01Å
476D82.6Confident85.6Confident99 Ų9965.4 Ų65.453%0.52935%0.354SS..EExtended strand (participates in β ladder)trans-81.5109.2170.6-67.9-32.7000108.5T290 R291T290-D476 CarbonylContact O-C 3.55Å; R291-D476 WeakPolarHBondContact CG-OD1 3.48Å
477L82.1Confident85.6Confident17 Ų1767.2 Ų67.29%0.08937%0.366CS..EExtended strand (participates in β ladder)trans-72.6-39.8175.2-72.4163.2000110.7L289 T290 L292 V318 T466 L469 A475 Y479 V639L289-L477 HydrophobicContact CB-CD1 4.07Å; L289-L477 WeakPolarHBondContact O-CB 3.5Å; T290-L477 PolarHBondContact O-N 2.81Å; L292-L477 HydrophobicContact CB-CD1 3.93Å; L292-L477 HydrophobicContact CB-CG 4.25Å; V318-L477 HydrophobicContact CG2-CD1 4.45Å; T466-L477 HydrophobicContact CG2-CD2 4.24Å; L469-L477 HydrophobicContact CD1-CD2 3.61Å; L469-L477 HydrophobicContact CD1-CG 4.33Å; A475-L477 PolarHBondContact O-N 3.01Å; L477-Y479 PolarHBondContact O-N 3.32Å; L477-V639 HydrophobicContact CD1-CG1 4.22Å
478N84.9Confident85.8Confident121 Ų12163.5 Ų63.565%0.64734%0.342SS*.EExtended strand (participates in β ladder)trans40.640.2-175.1-69.2-29.2000113L289 T290L289-N478 PolarHBondContact O-N 2.79Å; T290-N478 PolarHBondContact O-N 2.94Å
479Y87.9Confident85.9Confident35 Ų3560 Ų6014%0.13733%0.331CS..EExtended strand (participates in β ladder)trans-99.1115.4-172.2177.9-92.2000109S288 L289 Y320 A465 T466 L477 L481S288-Y479 CarbonylContact C-O 3.59Å; S288-Y479 VanDerWaalsContact CA-O 3.3Å; S288-Y479 WeakPolarHBondContact CA-O 3.49Å; L289-Y479 HydrophobicContact CB-CD1 4.48Å; L289-Y479 HydrophobicContact CD1-CD1 4.03Å; L289-Y479 PolarHBondContact N-O 2.83Å; L289-Y479 PolarHBondContact O-N 3Å; Y320-Y479 AromaticContact CE1-CE1 3.89Å; Y320-Y479 HydrophobicContact CE1-CE1 3.89Å; Y320-Y479 WeakPolarHBondContact OH-CE1 3.3Å; A465-Y479 PolarHBondContact O-OH 2.85Å; T466-Y479 HydrophobicContact CG2-CD1 3.98Å; T466-Y479 HydrophobicContact CG2-CD2 4.32Å; T466-Y479 HydrophobicContact CG2-CE1 4.35Å; T466-Y479 HydrophobicContact CG2-CG 3.93Å; L477-Y479 PolarHBondContact O-N 3.32Å; Y479-L481 HydrophobicContact CE1-CD1 3.96Å; Y479-L481 HydrophobicContact CE1-CG 3.84Å; Y479-L481 HydrophobicContact CE2-CG 4.45Å; Y479-L481 WeakPolarHBondContact OH-CD1 3.4Å
480T90.9Very high86.3Confident83 Ų8359.1 Ų59.151%0.50933%0.326SS..EExtended strand (participates in β ladder)trans-128.4127.5-179.6-570000109.8T286 L287 S288T286-T480 HydrophobicContact CG2-CG2 3.49Å; T286-T480 VanDerWaalsContact CG2-CG2 3.49Å; L287-T480 CarbonylContact O-C 3.31Å; L287-T480 VanDerWaalsContact O-CA 3.3Å; L287-T480 WeakPolarHBondContact O-CA 3.33Å; S288-T480 WeakPolarHBondContact OG-CG2 3.19Å; S288-T480 PolarHBondContact OG-OG1 3.47Å
481L90.6Very high86.7Confident50 Ų5054.7 Ų54.726%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-124.1136.3171.7-74.4-170.9000110.7T286 L287 Y320 Y464 Y479 Y483T286-L481 CarbonylContact C-O 3.6Å; T286-L481 WeakPolarHBondContact CA-O 3.31Å; L287-L481 PolarHBondContact N-O 2.78Å; L287-L481 PolarHBondContact O-N 2.95Å; Y320-L481 WeakPolarHBondContact OH-CD1 3.38Å; Y464-L481 HydrophobicContact CD1-CD1 3.66Å; Y464-L481 HydrophobicContact CE1-CD1 4.08Å; Y464-L481 HydrophobicContact CG-CD1 4.35Å; Y479-L481 HydrophobicContact CE1-CD1 3.96Å; Y479-L481 HydrophobicContact CE1-CG 3.84Å; Y479-L481 HydrophobicContact CE2-CG 4.45Å; Y479-L481 WeakPolarHBondContact OH-CD1 3.4Å; L481-Y483 HydrophobicContact CB-CE2 3.74Å; L481-Y483 WeakPolarHBondContact CD1-OH 3.5Å
482A90.9Very high87.3Confident61 Ų6151.9 Ų51.950%0.50429%0.288SS..EExtended strand (participates in β ladder)trans-105.8140.9172.700000110.1V285V285-A482 CarbonylContact O-C 3.58Å; V285-A482 WeakPolarHBondContact O-CA 3.16Å
483Y90.3Very high88.1Confident4 Ų453.9 Ų53.92%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-127.1133.9-175.6-59.2-89.4000109.7S284 V285 L287 Y320 F322 F323 Y464 L481S284-Y483 WeakPolarHBondContact CA-O 3.5Å; V285-Y483 PolarHBondContact N-O 2.97Å; V285-Y483 PolarHBondContact O-N 3.31Å; L287-Y483 HydrophobicContact CB-CE2 3.99Å; Y320-Y483 WeakPolarHBondContact CE2-OH 3.34Å; Y320-Y483 PolarHBondContact OH-OH 2.87Å; F322-Y483 HydrophobicContact CB-CE1 4.27Å; F322-Y483 AromaticContact CD1-CD1 3.57Å; F322-Y483 HydrophobicContact CD1-CD1 3.57Å; F322-Y483 AromaticContact CD1-CD2 3.66Å; F322-Y483 HydrophobicContact CD1-CD2 3.66Å; F322-Y483 AromaticContact CD1-CE1 3.59Å; F322-Y483 HydrophobicContact CD1-CE1 3.59Å; F322-Y483 AromaticContact CD1-CE2 3.68Å; F322-Y483 HydrophobicContact CD1-CE2 3.68Å; F322-Y483 AromaticContact CD1-CG 3.6Å; F322-Y483 HydrophobicContact CD1-CG 3.6Å; F322-Y483 AromaticContact CD1-CZ 3.64Å; F322-Y483 HydrophobicContact CE1-CD1 4.04Å; F322-Y483 AromaticContact CE1-CD2 3.55Å; F322-Y483 HydrophobicContact CE1-CD2 3.55Å; F322-Y483 HydrophobicContact CE1-CE1 4.41Å; F322-Y483 AromaticContact CE1-CE2 3.98Å; F322-Y483 HydrophobicContact CE1-CE2 3.98Å; F322-Y483 AromaticContact CE1-CG 3.59Å; F322-Y483 HydrophobicContact CE1-CG 3.59Å; F322-Y483 HydrophobicContact CG-CE1 4.31Å; F322-Y483 HydrophobicContact CG-CE2 4.29Å; F322-Y483 HydrophobicContact CZ-CD2 4.47Å; F323-Y483 WeakPolarHBondContact O-CD1 3.21Å; F323-Y483 WeakPolarHBondContact O-CE1 3.47Å; Y464-Y483 HydrophobicContact CD2-CE1 4.48Å; Y464-Y483 HydrophobicContact CE1-CE1 4.28Å; Y464-Y483 AromaticContact CE2-CE1 3.85Å; Y464-Y483 HydrophobicContact CE2-CE1 3.85Å; Y464-Y483 AromaticContact CZ-CE1 3.76Å; L481-Y483 HydrophobicContact CB-CE2 3.74Å; L481-Y483 WeakPolarHBondContact CD1-OH 3.5Å
484R89.9Confident88.9Confident170 Ų17046.7 Ų46.764%0.64226%0.257SS*.EExtended strand (participates in β ladder)trans-109.6122.6169-77.3-172172.8-123.1-3.3109.5V282 A283V282-R484 HydrophobicContact CG1-CB 3.97Å; V282-R484 HydrophobicContact CG1-CG 4.35Å; A283-R484 WeakPolarHBondContact O-CA 3.32Å
485I90.3Very high89.6Confident8 Ų844.1 Ų44.14%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-130.6116.3-169.3-54.2168.1000109.5V282 A283 V285 F322 F323 L488 L491V282-I485 WeakPolarHBondContact CA-O 3.33Å; A283-I485 PolarHBondContact N-O 3.29Å; A283-I485 PolarHBondContact O-N 2.9Å; V285-I485 HydrophobicContact CG2-CD1 4.08Å; F322-I485 HydrophobicContact CE1-CD1 4.02Å; F323-I485 HydrophobicContact CB-CD1 3.81Å; F323-I485 HydrophobicContact CB-CG1 4.04Å; F323-I485 HydrophobicContact CD1-CG2 3.99Å; F323-I485 HydrophobicContact CD2-CD1 3.96Å; F323-I485 HydrophobicContact CE1-CG2 4.24Å; F323-I485 HydrophobicContact CG-CD1 3.89Å; F323-I485 HydrophobicContact CG-CG1 4.28Å; F323-I485 HydrophobicContact CG-CG2 4.28Å; I485-L488 WeakPolarHBondContact O-CD2 3.37Å; I485-L491 HydrophobicContact CB-CD2 4.3Å; I485-L491 HydrophobicContact CD1-CD1 3.71Å; I485-L491 HydrophobicContact CD1-CD2 4.07Å; I485-L491 HydrophobicContact CD1-CG 4.45Å; I485-L491 HydrophobicContact CG2-CB 4.17Å; I485-L491 HydrophobicContact CG2-CD2 4.27Å
486S88.2Confident90Very high64 Ų6446.8 Ų46.845%0.44825%0.254SS..  trans-90.3-25.9176.252.60000113.4L488S486-L488 PolarHBondContact O-N 3.29Å
487C89.1Confident90.5Very high44 Ų4447.2 Ų47.230%0.29725%0.253SS..  trans-78.467.2178.2-60.70000111.2G489 D490 L491C487-G489 VanDerWaalsContact C-N 3.28Å; C487-G489 PolarHBondContact O-N 2.88Å; C487-D490 HydrophobicContact CB-CB 4.37Å; C487-D490 PolarHBondContact O-N 2.84Å; C487-D490 VanDerWaalsContact O-N 3.14Å; C487-L491 PolarHBondContact O-N 3.47Å
488L91.8Very high91Very high2 Ų246.7 Ų46.71%0.0125%0.252CS..Hα-helixtrans-60.8-34.9-172.8-58.5-178.3000113.1P235 F236 M238 T239 D281 A283 I485 S486 D490 L491 K492P235-L488 HydrophobicContact CB-CB 3.67Å; F236-L488 HydrophobicContact CB-CD1 4.44Å; M238-L488 HydrophobicContact CE-CB 4.49Å; M238-L488 WeakPolarHBondContact CE-O 3.43Å; T239-L488 HydrophobicContact CG2-CD1 3.59Å; T239-L488 HydrophobicContact CG2-CD2 4.25Å; D281-L488 HydrophobicContact CB-CD1 4.06Å; D281-L488 WeakPolarHBondContact O-CD1 3.45Å; A283-L488 HydrophobicContact CB-CD2 3.63Å; I485-L488 WeakPolarHBondContact O-CD2 3.37Å; S486-L488 PolarHBondContact O-N 3.29Å; L488-D490 VanDerWaalsContact C-N 3.35Å; L488-D490 PolarHBondContact O-N 2.92Å; L488-L491 PolarHBondContact O-N 3.1Å; L488-K492 PolarHBondContact O-N 2.94Å
489G91.1Very high91.4Very high14 Ų1441 Ų4114%0.14422%0.221CC..Hα-helixtrans-61-42.317600000112.7C487 K493C487-G489 VanDerWaalsContact C-N 3.28Å; C487-G489 PolarHBondContact O-N 2.88Å; G489-K493 WeakPolarHBondContact O-CG 3.48Å; G489-K493 PolarHBondContact O-N 3.36Å
490D90.9Very high91.7Very high23 Ų2344.1 Ų44.112%0.12324%0.237CC..Hα-helixtrans-74.8-34.5176.7-74.3-35.8000111.9F323 T456 W457 C487 L488 K492 K493 F494F323-D490 HydrophobicContact CE1-CB 4.25Å; F323-D490 HydrophobicContact CZ-CB 4.08Å; T456-D490 PolarHBondContact OG1-OD1 2.9Å; W457-D490 HydrophobicContact CB-CB 3.9Å; C487-D490 HydrophobicContact CB-CB 4.37Å; C487-D490 PolarHBondContact O-N 2.84Å; C487-D490 VanDerWaalsContact O-N 3.14Å; L488-D490 VanDerWaalsContact C-N 3.35Å; L488-D490 PolarHBondContact O-N 2.92Å; D490-K492 VanDerWaalsContact C-N 3.33Å; D490-K492 PolarHBondContact O-N 2.85Å; D490-K493 WeakPolarHBondContact O-CB 3.29Å; D490-K493 PolarHBondContact O-N 2.78Å; D490-K493 IonicContact OD1-NZ 3.35Å; D490-K493 PolarHBondContact OD1-NZ 2.83Å; D490-F494 WeakPolarHBondContact O-CB 3.39Å; D490-F494 PolarHBondContact O-N 3.48Å
491L92.9Very high91.9Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-59.4-43.9171.6-178.358.9000111.7M238 A283 V285 F323 I485 C487 L488 K493 F494 F495M238-L491 HydrophobicContact CE-CB 3.94Å; M238-L491 HydrophobicContact CE-CD2 3.88Å; M238-L491 HydrophobicContact CE-CG 3.84Å; M238-L491 HydrophobicContact SD-CD2 3.98Å; M238-L491 HydrophobicContact SD-CG 3.91Å; A283-L491 HydrophobicContact CB-CD2 3.46Å; A283-L491 VanDerWaalsContact CB-CD2 3.46Å; V285-L491 HydrophobicContact CG2-CD2 4.42Å; F323-L491 HydrophobicContact CD2-CD1 4.05Å; F323-L491 HydrophobicContact CE2-CB 4.36Å; F323-L491 HydrophobicContact CE2-CD1 3.79Å; F323-L491 HydrophobicContact CZ-CB 4.33Å; I485-L491 HydrophobicContact CB-CD2 4.3Å; I485-L491 HydrophobicContact CD1-CD1 3.71Å; I485-L491 HydrophobicContact CD1-CD2 4.07Å; I485-L491 HydrophobicContact CD1-CG 4.45Å; I485-L491 HydrophobicContact CG2-CB 4.17Å; I485-L491 HydrophobicContact CG2-CD2 4.27Å; C487-L491 PolarHBondContact O-N 3.47Å; L488-L491 PolarHBondContact O-N 3.1Å; L491-K493 VanDerWaalsContact C-N 3.34Å; L491-K493 PolarHBondContact O-N 3.36Å; L491-F494 WeakPolarHBondContact O-CB 3.29Å; L491-F494 PolarHBondContact O-N 2.86Å; L491-F495 HydrophobicContact CD1-CD1 4.06Å; L491-F495 HydrophobicContact CD1-CD2 4.29Å; L491-F495 HydrophobicContact CD1-CE1 3.66Å; L491-F495 HydrophobicContact CD1-CE2 3.88Å; L491-F495 HydrophobicContact CD1-CG 4.38Å; L491-F495 HydrophobicContact CD1-CZ 3.57Å; L491-F495 HydrophobicContact CD2-CE2 4.24Å; L491-F495 HydrophobicContact CD2-CZ 4.47Å; L491-F495 HydrophobicContact CG-CD2 4.24Å; L491-F495 HydrophobicContact CG-CE2 3.96Å; L491-F495 HydrophobicContact CG-CZ 4.16Å; L491-F495 PolarHBondContact O-N 2.8Å
492K93.9Very high92Very high22 Ų2239.6 Ų39.610%0.09621%0.21CC..Hα-helixtrans-59.2-46.5175.8176.5-176.6172.2-168.70110.7N207 C208 N209 G233 P235 M238 L488 D490 F495 T496 V579N207-K492 PolarHBondContact O-NZ 2.88Å; N207-K492 VanDerWaalsContact O-NZ 3.16Å; C208-K492 PolarHBondContact O-NZ 2.84Å; N209-K492 PolarHBondContact OD1-NZ 2.92Å; G233-K492 WeakPolarHBondContact O-CE 3.14Å; G233-K492 PolarHBondContact O-NZ 3.38Å; G233-K492 VanDerWaalsContact O-NZ 3.09Å; P235-K492 HydrophobicContact CG-CB 4.46Å; P235-K492 HydrophobicContact CG-CD 3.97Å; M238-K492 HydrophobicContact CE-CB 3.93Å; L488-K492 PolarHBondContact O-N 2.94Å; D490-K492 VanDerWaalsContact C-N 3.33Å; D490-K492 PolarHBondContact O-N 2.85Å; K492-F495 PolarHBondContact O-N 2.78Å; K492-T496 WeakPolarHBondContact O-CB 3.47Å; K492-T496 PolarHBondContact O-N 2.82Å; K492-T496 PolarHBondContact O-OG1 2.87Å; K492-V579 HydrophobicContact CD-CG1 4.44Å; K492-V579 HydrophobicContact CG-CG1 3.95Å; K492-V579 HydrophobicContact CG-CG2 4.45Å
493K92.3Very high92.1Very high93 Ų9336.7 Ų36.740%0.40419%0.186SC..Hα-helixtrans-59.4-47.7176-66.7171.5-164.3158.10110.3T456 G489 D490 L491 F495 T496 H497T456-K493 PolarHBondContact OG1-NZ 3.39Å; G489-K493 WeakPolarHBondContact O-CG 3.48Å; G489-K493 PolarHBondContact O-N 3.36Å; D490-K493 WeakPolarHBondContact O-CB 3.29Å; D490-K493 PolarHBondContact O-N 2.78Å; D490-K493 IonicContact OD1-NZ 3.35Å; D490-K493 PolarHBondContact OD1-NZ 2.83Å; L491-K493 VanDerWaalsContact C-N 3.34Å; L491-K493 PolarHBondContact O-N 3.36Å; K493-F495 PolarHBondContact O-N 2.82Å; K493-T496 WeakPolarHBondContact O-CB 3.4Å; K493-T496 PolarHBondContact O-N 2.82Å; K493-T496 VanDerWaalsContact O-N 3.16Å; K493-H497 PolarHBondContact O-N 3.47Å; K493-H497 PolarHBondContact O-ND1 2.75Å
494F93.4Very high92.1Very high4 Ų438 Ų382%0.01819%0.192CC..Hα-helixtrans-58.9-47.6178.9179.5-102.1000112.2F322 F323 W457 D490 L491 T496 H497 G498 L499 M575F322-F494 AromaticContact CD2-CE1 3.62Å; F322-F494 HydrophobicContact CD2-CE1 3.62Å; F322-F494 AromaticContact CD2-CZ 3.85Å; F322-F494 HydrophobicContact CD2-CZ 3.85Å; F322-F494 HydrophobicContact CE2-CD1 4.42Å; F322-F494 AromaticContact CE2-CE1 3.5Å; F322-F494 HydrophobicContact CE2-CE1 3.5Å; F322-F494 HydrophobicContact CE2-CZ 4.21Å; F322-F494 HydrophobicContact CZ-CE1 4.32Å; F323-F494 HydrophobicContact CD2-CD1 4.29Å; F323-F494 HydrophobicContact CD2-CG 4.41Å; F323-F494 HydrophobicContact CE2-CB 3.61Å; F323-F494 AromaticContact CE2-CD1 3.93Å; F323-F494 HydrophobicContact CE2-CD1 3.93Å; F323-F494 HydrophobicContact CE2-CD2 4.38Å; F323-F494 AromaticContact CE2-CG 3.73Å; F323-F494 HydrophobicContact CE2-CG 3.73Å; F323-F494 HydrophobicContact CZ-CB 4.19Å; W457-F494 HydrophobicContact CD2-CB 4.39Å; W457-F494 AromaticContact CD2-CD2 3.85Å; W457-F494 HydrophobicContact CD2-CD2 3.85Å; W457-F494 AromaticContact CE3-CD2 3.68Å; W457-F494 HydrophobicContact CE3-CD2 3.68Å; W457-F494 HydrophobicContact CE3-CE2 4.25Å; W457-F494 HydrophobicContact CG-CB 4.31Å; W457-F494 AromaticContact CH2-CD2 3.92Å; W457-F494 HydrophobicContact CH2-CD2 3.92Å; W457-F494 HydrophobicContact CH2-CE2 4.07Å; W457-F494 HydrophobicContact CZ2-CD2 4.06Å; W457-F494 AromaticContact CZ3-CD2 3.72Å; W457-F494 HydrophobicContact CZ3-CD2 3.72Å; W457-F494 AromaticContact CZ3-CE2 3.88Å; W457-F494 HydrophobicContact CZ3-CE2 3.88Å; D490-F494 WeakPolarHBondContact O-CB 3.39Å; D490-F494 PolarHBondContact O-N 3.48Å; L491-F494 WeakPolarHBondContact O-CB 3.29Å; L491-F494 PolarHBondContact O-N 2.86Å; F494-T496 VanDerWaalsContact C-N 3.28Å; F494-T496 PolarHBondContact O-N 2.8Å; F494-H497 PolarHBondContact O-N 2.74Å; F494-G498 PolarHBondContact O-N 2.9Å; F494-L499 HydrophobicContact CZ-CD1 4.03Å; F494-M575 HydrophobicContact CD1-CE 3.81Å; F494-M575 HydrophobicContact CE1-CE 3.46Å; F494-M575 VanDerWaalsContact CE1-CE 3.46Å; F494-M575 HydrophobicContact CZ-CE 4.18Å
495F94.6Very high92.2Very high0 Ų031.5 Ų31.50%017%0.169CC..Hα-helixtrans-64.6-30.6175.9-72.5-10.7000113.9M238 V285 F322 L491 K492 K493 H497 M575 Q576 L578 V579 L645M238-F495 HydrophobicContact SD-CD2 3.55Å; M238-F495 VanDerWaalsContact SD-CD2 3.55Å; M238-F495 HydrophobicContact SD-CE2 3.79Å; V285-F495 HydrophobicContact CG1-CZ 4.29Å; V285-F495 HydrophobicContact CG2-CZ 4.06Å; F322-F495 HydrophobicContact CE2-CE1 4.34Å; F322-F495 HydrophobicContact CZ-CE1 4.19Å; L491-F495 HydrophobicContact CD1-CD1 4.06Å; L491-F495 HydrophobicContact CD1-CD2 4.29Å; L491-F495 HydrophobicContact CD1-CE1 3.66Å; L491-F495 HydrophobicContact CD1-CE2 3.88Å; L491-F495 HydrophobicContact CD1-CG 4.38Å; L491-F495 HydrophobicContact CD1-CZ 3.57Å; L491-F495 HydrophobicContact CD2-CE2 4.24Å; L491-F495 HydrophobicContact CD2-CZ 4.47Å; L491-F495 HydrophobicContact CG-CD2 4.24Å; L491-F495 HydrophobicContact CG-CE2 3.96Å; L491-F495 HydrophobicContact CG-CZ 4.16Å; L491-F495 PolarHBondContact O-N 2.8Å; K492-F495 PolarHBondContact O-N 2.78Å; K493-F495 PolarHBondContact O-N 2.82Å; F495-H497 VanDerWaalsContact C-N 3.32Å; F495-M575 HydrophobicContact CB-CB 4.18Å; F495-M575 HydrophobicContact CD1-CB 4.21Å; F495-M575 HydrophobicContact CD1-CE 3.47Å; F495-M575 VanDerWaalsContact CD1-CE 3.47Å; F495-M575 HydrophobicContact CD1-SD 3.88Å; F495-M575 HydrophobicContact CE1-CE 4Å; F495-M575 HydrophobicContact CE1-SD 4.01Å; F495-M575 HydrophobicContact CG-CB 4.36Å; F495-M575 CarbonylContact O-C 3.49Å; F495-M575 VanDerWaalsContact O-C 3.31Å; F495-Q576 PolarHBondContact O-N 2.81Å; F495-L578 HydrophobicContact CD2-CB 3.93Å; F495-L578 HydrophobicContact CD2-CD1 4.27Å; F495-L578 HydrophobicContact CE1-CD1 4.31Å; F495-L578 HydrophobicContact CE2-CB 4.11Å; F495-L578 HydrophobicContact CE2-CD1 3.95Å; F495-L578 HydrophobicContact CZ-CD1 3.95Å; F495-V579 HydrophobicContact CB-CG2 3.49Å; F495-V579 VanDerWaalsContact CB-CG2 3.49Å; F495-V579 HydrophobicContact CD2-CG2 4.27Å; F495-V579 HydrophobicContact CG-CG2 4.42Å; F495-L645 HydrophobicContact CE2-CD1 4.39Å; F495-L645 HydrophobicContact CE2-CD2 4.19Å
496T92.6Very high92.1Very high69 Ų6931.3 Ų31.342%0.42317%0.168SC..Hα-helixtrans-67.1-34.1172.4-55.80000111.5K492 K493 F494K492-T496 WeakPolarHBondContact O-CB 3.47Å; K492-T496 PolarHBondContact O-N 2.82Å; K492-T496 PolarHBondContact O-OG1 2.87Å; K493-T496 WeakPolarHBondContact O-CB 3.4Å; K493-T496 PolarHBondContact O-N 2.82Å; K493-T496 VanDerWaalsContact O-N 3.16Å; F494-T496 VanDerWaalsContact C-N 3.28Å; F494-T496 PolarHBondContact O-N 2.8Å
497H92.1Very high92.2Very high108 Ų10831.5 Ų31.550%0.516%0.161SC..Hα-helixtrans-79.3-36.5176.6-71.173000112.5W457 K493 F494 F495 H572W457-H497 AromaticContact NE1-ND1 3.89Å; K493-H497 PolarHBondContact O-N 3.47Å; K493-H497 PolarHBondContact O-ND1 2.75Å; F494-H497 PolarHBondContact O-N 2.74Å; F495-H497 VanDerWaalsContact C-N 3.32Å; H497-H572 PolarHBondContact O-CE1 2.99Å; H497-H572 PolarHBondContact O-NE2 2.77Å
498G92.9Very high92Very high6 Ų630.5 Ų30.56%0.06215%0.152CC..  trans95.3173.5-177.100000113.9F494 I573F494-G498 PolarHBondContact O-N 2.9Å; G498-I573 CarbonylContact C-O 3.58Å; G498-I573 VanDerWaalsContact CA-O 3.24Å; G498-I573 WeakPolarHBondContact CA-O 3.24Å
499L93.9Very high91.8Very high1 Ų132.2 Ų32.21%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-106.4138-175.1176.565.9000109.5L287 Y320 Q321 F322 F494 L501 I573 M575 L641L287-L499 HydrophobicContact CD1-CD2 3.87Å; Y320-L499 HydrophobicContact CD2-CD1 4.35Å; Q321-L499 WeakPolarHBondContact O-CD1 3.23Å; F322-L499 HydrophobicContact CD2-CD1 4.23Å; F494-L499 HydrophobicContact CZ-CD1 4.03Å; L499-L501 HydrophobicContact CD2-CD2 4.12Å; L499-L501 HydrophobicContact CG-CD2 4.48Å; L499-I573 HydrophobicContact CB-CB 4.47Å; L499-I573 HydrophobicContact CD2-CD1 4.47Å; L499-I573 HydrophobicContact CG-CD1 4.49Å; L499-I573 PolarHBondContact N-O 3.05Å; L499-I573 PolarHBondContact O-N 2.68Å; L499-M575 HydrophobicContact CB-CE 3.67Å; L499-M575 HydrophobicContact CB-SD 3.88Å; L499-L641 HydrophobicContact CD2-CD2 3.98Å
500H93Very high91.5Very high101 Ų10131.6 Ų31.647%0.46816%0.155SC..EExtended strand (participates in β ladder)trans-102.3126.6167.7-73.5-80.8000110.6V571 H572H500-V571 WeakPolarHBondContact CA-O 3.32Å; H500-H572 AromaticContact CE1-CD2 3.48Å; H500-H572 PolarHBondContact CE1-CD2 2.96Å; H500-H572 VanDerWaalsContact CE1-CD2 3.48Å; H500-H572 AromaticContact CE1-CG 3.89Å; H500-H572 AromaticContact NE2-CD2 3.46Å; H500-H572 PolarHBondContact NE2-CD2 3.12Å
501L94.4Very high91.2Very high0 Ų035.4 Ų35.40%017%0.167CC..EExtended strand (participates in β ladder)trans-103135.1167.6-69.7-173.4000109.6L289 V318 Y320 L499 S570 V571 I573 C589 F591 L641L289-L501 HydrophobicContact CD2-CD1 3.97Å; V318-L501 HydrophobicContact CG1-CB 4.4Å; V318-L501 HydrophobicContact CG1-CD2 4.18Å; Y320-L501 VanDerWaalsContact CB-CD2 3.48Å; Y320-L501 HydrophobicContact CD1-CD2 4.2Å; Y320-L501 HydrophobicContact CG-CD2 3.99Å; L499-L501 HydrophobicContact CD2-CD2 4.12Å; L499-L501 HydrophobicContact CG-CD2 4.48Å; L501-S570 CarbonylContact O-C 3.57Å; L501-S570 VanDerWaalsContact O-CA 3.29Å; L501-S570 WeakPolarHBondContact O-CA 3.35Å; L501-S570 PolarHBondContact O-OG 2.72Å; L501-V571 PolarHBondContact N-O 3.39Å; L501-V571 PolarHBondContact O-N 3.4Å; L501-I573 HydrophobicContact CB-CD1 4.2Å; L501-I573 HydrophobicContact CD1-CD1 3.75Å; L501-I573 HydrophobicContact CG-CD1 3.51Å; L501-C589 HydrophobicContact CD1-CB 4.35Å; L501-F591 HydrophobicContact CB-CZ 4.11Å; L501-L641 HydrophobicContact CD1-CB 4.1Å; L501-L641 HydrophobicContact CD1-CD1 4.36Å; L501-L641 HydrophobicContact CD1-CD2 3.99Å; L501-L641 HydrophobicContact CD1-CG 4.36Å; L501-L641 HydrophobicContact CG-CD2 4.45Å
502N93.8Very high90.8Very high38 Ų3838.1 Ų38.120%0.20319%0.185CC..EExtended strand (participates in β ladder)trans-120.1124.3-178.8-64.3-27.5000109.6V318 S319 M504 L567 S570V318-N502 CarbonylContact C-O 3.35Å; V318-N502 WeakPolarHBondContact CA-O 3.47Å; S319-N502 PolarHBondContact N-O 3.32Å; S319-N502 WeakPolarHBondContact O-CB 3.42Å; S319-N502 PolarHBondContact O-N 3.08Å; S319-N502 WeakPolarHBondContact OG-CB 3.3Å; N502-M504 HydrophobicContact CB-SD 4.45Å; N502-L567 HydrophobicContact CB-CD1 3.66Å; N502-S570 VanDerWaalsContact OD1-CB 3.24Å; N502-S570 WeakPolarHBondContact OD1-CB 3.41Å; N502-S570 PolarHBondContact OD1-OG 2.78Å
503L92.5Very high89.9Confident0 Ų038.6 Ų38.60%019%0.193CC..EExtended strand (participates in β ladder)trans-88.8123.5172.2-179.366.7000109.6L292 V318 L568 N569 F591 L594 V637L292-L503 HydrophobicContact CD1-CD1 4.18Å; V318-L503 HydrophobicContact CG2-CD1 4.22Å; L503-L568 HydrophobicContact CB-CB 4.42Å; L503-L568 HydrophobicContact CD2-CB 4.24Å; L503-L568 HydrophobicContact CD2-CD1 3.85Å; L503-L568 HydrophobicContact CG-CB 4.25Å; L503-L568 HydrophobicContact CG-CD1 3.86Å; L503-L568 WeakPolarHBondContact O-CB 3.46Å; L503-L568 PolarHBondContact O-N 3.42Å; L503-N569 PolarHBondContact N-O 3.17Å; L503-F591 HydrophobicContact CB-CD1 3.83Å; L503-F591 HydrophobicContact CB-CE1 3.78Å; L503-F591 HydrophobicContact CB-CG 4.23Å; L503-F591 HydrophobicContact CB-CZ 4.16Å; L503-F591 HydrophobicContact CD2-CG 4.41Å; L503-L594 HydrophobicContact CD2-CD1 4.08Å; L503-V637 HydrophobicContact CD2-CB 4.39Å; L503-V637 HydrophobicContact CD2-CG1 3.56Å
504M91.4Very high88.8Confident32 Ų3239.7 Ų39.716%0.15821%0.21CC..EExtended strand (participates in β ladder)trans-115.3140.9-175.8-57.1-63.8-65.500110.9Y316 F317 S319 N502 L567Y316-M504 WeakPolarHBondContact CA-O 3.35Å; F317-M504 HydrophobicContact CD1-CB 3.91Å; F317-M504 HydrophobicContact CD2-CB 3.95Å; F317-M504 HydrophobicContact CD2-CG 4.2Å; F317-M504 HydrophobicContact CE1-CB 3.5Å; F317-M504 HydrophobicContact CE1-CG 4.43Å; F317-M504 HydrophobicContact CE2-CB 3.57Å; F317-M504 HydrophobicContact CE2-CG 3.63Å; F317-M504 HydrophobicContact CG-CB 4.12Å; F317-M504 HydrophobicContact CZ-CB 3.33Å; F317-M504 HydrophobicContact CZ-CG 3.77Å; F317-M504 PolarHBondContact N-O 3.38Å; F317-M504 WeakPolarHBondContact O-CB 3.34Å; F317-M504 PolarHBondContact O-N 3.4Å; S319-M504 WeakPolarHBondContact OG-CG 3.32Å; N502-M504 HydrophobicContact CB-SD 4.45Å; M504-L567 HydrophobicContact CE-CB 4.36Å; M504-L567 HydrophobicContact SD-CB 3.94Å; M504-L567 HydrophobicContact SD-CD1 3.53Å; M504-L567 VanDerWaalsContact SD-CD1 3.53Å; M504-L567 HydrophobicContact SD-CG 4.36Å
505E90.6Very high86.9Confident33 Ų3344.4 Ų44.415%0.15424%0.243CC..EExtended strand (participates in β ladder)trans-108.6135.1168.8-179.2178.583.600109.5Y314 K315 Y316 R565 K566 L568Y314-E505 HydrophobicContact CD1-CG 3.92Å; K315-E505 CarbonylContact O-C 3.49Å; Y316-E505 HydrophobicContact CD1-CB 4.18Å; Y316-E505 HydrophobicContact CD1-CG 4.29Å; Y316-E505 HydrophobicContact CE1-CB 3.97Å; Y316-E505 HydrophobicContact CE1-CG 3.73Å; Y316-E505 VanDerWaalsContact CE1-OE2 3.28Å; Y316-E505 WeakPolarHBondContact CE1-OE2 3.07Å; Y316-E505 PolarHBondContact OH-OE2 3.4Å; E505-R565 CarbonylContact O-C 3.55Å; E505-R565 VanDerWaalsContact O-CA 3.29Å; E505-R565 WeakPolarHBondContact O-CA 3.3Å; E505-K566 PolarHBondContact N-O 3.07Å; E505-K566 PolarHBondContact O-N 3.12Å; E505-L568 HydrophobicContact CB-CD1 3.84Å; E505-L568 HydrophobicContact CB-CD2 4.02Å; E505-L568 HydrophobicContact CB-CG 3.88Å
506E89.4Confident84.8Confident4 Ų453.8 Ų53.82%0.01929%0.287CS..EExtended strand (participates in β ladder)trans-118.3117.9170.7-174.2171.787.800109.5Y314 K315 F317 K468 I508 P563 I564 R565Y314-E506 CarbonylContact C-O 3.55Å; Y314-E506 WeakPolarHBondContact CA-O 3.49Å; K315-E506 HydrophobicContact CB-CB 4.39Å; K315-E506 PolarHBondContact N-O 2.87Å; K315-E506 PolarHBondContact O-N 3.15Å; F317-E506 HydrophobicContact CE1-CB 4.22Å; K468-E506 VanDerWaalsContact CD-OE1 3.3Å; K468-E506 WeakPolarHBondContact CD-OE1 3.3Å; K468-E506 WeakPolarHBondContact CE-OE1 3.4Å; K468-E506 WeakPolarHBondContact CE-OE2 3.42Å; K468-E506 IonicContact NZ-OE1 3.74Å; K468-E506 PolarHBondContact NZ-OE1 3.17Å; K468-E506 IonicContact NZ-OE2 3.25Å; K468-E506 PolarHBondContact NZ-OE2 3.03Å; E506-I508 HydrophobicContact CG-CG1 4.37Å; E506-P563 VanDerWaalsContact CD-CB 3.43Å; E506-P563 HydrophobicContact CG-CB 3.48Å; E506-P563 VanDerWaalsContact CG-CB 3.48Å; E506-I564 CarbonylContact C-O 3.4Å; E506-I564 WeakPolarHBondContact CA-O 3.3Å; E506-R565 HydrophobicContact CB-CG 4.44Å; E506-R565 HydrophobicContact CG-CG 4.23Å; E506-R565 IonicContact OE2-CZ 2.83Å; E506-R565 IonicContact OE2-NE 3.17Å; E506-R565 PolarHBondContact OE2-NE 3.22Å; E506-R565 IonicContact OE2-NH2 3.17Å
507K88.9Confident82.5Confident68 Ų6859.6 Ų59.630%0.29631%0.31SS..EExtended strand (participates in β ladder)trans-103.7127.3177.7-179178177.1173.70109.7V312 Y314 I564V312-K507 HydrophobicContact CG1-CD 4.26Å; V312-K507 HydrophobicContact CG1-CG 3.9Å; Y314-K507 HydrophobicContact CD1-CB 4.31Å; Y314-K507 HydrophobicContact CD1-CG 4.45Å; Y314-K507 HydrophobicContact CE1-CB 4.18Å; Y314-K507 HydrophobicContact CE1-CD 3.96Å; Y314-K507 HydrophobicContact CE1-CG 4.03Å; K507-I564 PolarHBondContact N-O 3.22Å; K507-I564 PolarHBondContact O-N 3.46Å
508I86.5Confident80Confident22 Ų2258.7 Ų58.711%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-122.1128.7178-56.9173.2000108.4T313 K315 E506 H560 P563T313-I508 PolarHBondContact N-O 3.26Å; T313-I508 PolarHBondContact O-N 3.05Å; K315-I508 HydrophobicContact CD-CD1 4.46Å; E506-I508 HydrophobicContact CG-CG1 4.37Å; I508-H560 HydrophobicContact CG2-CB 4Å; I508-P563 HydrophobicContact CG1-CB 4Å
509L85.8Confident77.4Confident39 Ų3967.2 Ų67.220%0.20436%0.359CS..EExtended strand (participates in β ladder)trans-97.5135.3172.6-57.3178.9000108.9P310 V312 H560 D561P310-L509 HydrophobicContact CB-CB 4.13Å; P310-L509 HydrophobicContact CG-CB 4.49Å; P310-L509 HydrophobicContact CG-CD2 4.19Å; V312-L509 HydrophobicContact CB-CD2 4.36Å; V312-L509 HydrophobicContact CG1-CD2 4.15Å; V312-L509 HydrophobicContact CG2-CD2 3.75Å; L509-H560 WeakPolarHBondContact O-CA 3.31Å; L509-D561 HydrophobicContact CB-CB 4.15Å; L509-D561 PolarHBondContact O-N 3.17Å
510S85.6Confident74.6Confident1 Ų175.7 Ų75.71%0.00740%0.398CS..EExtended strand (participates in β ladder)trans-127.3131.6-177.6-37.50000111.3P310 V311 V559 H560P310-S510 CarbonylContact C-O 3.58Å; P310-S510 VanDerWaalsContact CA-O 3.31Å; P310-S510 WeakPolarHBondContact CA-O 3.35Å; V311-S510 PolarHBondContact N-O 3.2Å; V311-S510 PolarHBondContact O-N 3.39Å; V311-S510 PolarHBondContact O-OG 3.13Å; S510-V559 CarbonylContact C-O 3.53Å; S510-V559 WeakPolarHBondContact CA-O 3.26Å; S510-H560 VanDerWaalsContact CB-ND1 3.32Å; S510-H560 WeakPolarHBondContact CB-ND1 3.41Å; S510-H560 PolarHBondContact OG-CE1 2.99Å; S510-H560 PolarHBondContact OG-ND1 2.7Å
511W85.1Confident71.8Confident102 Ų10277.8 Ų77.839%0.38642%0.417SS..EExtended strand (participates in β ladder)trans-116.8153.2-175.4-58.497000110.4F309 P310 L558 V559 D561F309-W511 HydrophobicContact CB-CE3 4.35Å; P310-W511 HydrophobicContact CB-CD2 3.84Å; P310-W511 HydrophobicContact CB-CE3 3.99Å; P310-W511 HydrophobicContact CB-CH2 3.84Å; P310-W511 HydrophobicContact CB-CZ2 3.66Å; P310-W511 HydrophobicContact CB-CZ3 3.99Å; P310-W511 VanDerWaalsContact CD-CH2 3.49Å; P310-W511 HydrophobicContact CG-CH2 3.65Å; P310-W511 HydrophobicContact CG-CZ2 3.66Å; P310-W511 HydrophobicContact CG-CZ3 4.16Å; W511-L558 CarbonylContact O-C 3.56Å; W511-L558 VanDerWaalsContact O-CA 3.26Å; W511-L558 WeakPolarHBondContact O-CA 3.32Å; W511-V559 PolarHBondContact N-O 3.47Å; W511-V559 PolarHBondContact O-N 2.61Å; W511-D561 PolarHBondContact NE1-OD2 2.91Å
512P83.3Confident68.7Low57 Ų5785.8 Ų85.837%0.3745%0.452SS..EExtended strand (participates in β ladder)trans-67.8137.9173.628.9-30.4000110.1F309F309-P512 HydrophobicContact CD1-CG 4.33Å; F309-P512 HydrophobicContact CD2-CG 4.28Å; F309-P512 HydrophobicContact CE1-CB 4.29Å; F309-P512 HydrophobicContact CE1-CG 4.32Å; F309-P512 HydrophobicContact CE2-CG 4.28Å; F309-P512 HydrophobicContact CG-CG 4.3Å; F309-P512 HydrophobicContact CZ-CB 4.15Å; F309-P512 HydrophobicContact CZ-CG 4.29Å
513A76.2Confident65.6Low32 Ų3290.3 Ų90.326%0.26448%0.484SS..PPolyproline II helixtrans-59.5137.317500000110.5S515 E557 V559A513-S515 PolarHBondContact O-N 2.86Å; A513-S515 VanDerWaalsContact O-N 3.14Å; A513-E557 HydrophobicContact CB-CB 4.16Å; A513-E557 WeakPolarHBondContact CB-O 3.37Å; A513-E557 PolarHBondContact N-O 2.9Å; A513-V559 HydrophobicContact CB-CG2 4.1Å
514P68.6Low62.5Low117 Ų11794.9 Ų94.976%0.7652%0.516SS*.PPolyproline II helixtrans-58.5119.4174-17.928.9000109.7
515S54.7Low60.1Low102 Ų10298.8 Ų98.871%0.71354%0.544SS*.PPolyproline II helixtrans-70.6130.4173.4-51.30000109.6A513 E517A513-S515 PolarHBondContact O-N 2.86Å; A513-S515 VanDerWaalsContact O-N 3.14Å; S515-E517 PolarHBondContact O-N 3.02Å
516E50.2Low57.1Low197 Ų197104.3 Ų104.392%0.92158%0.58SS**SBendtrans-68.29-179.9-72.2-168.1152.800114.7A518E516-A518 PolarHBondContact O-N 3.33Å
517E43.7Very low54Low192 Ų192113.3 Ų113.390%0.89762%0.619SS**  trans-95.253.7-177.5-67.1-178.4166.200112.7S515S515-E517 PolarHBondContact O-N 3.02Å
518A39.5Very low51.1Low88 Ų88116.3 Ų116.373%0.72764%0.638SS**  trans-149.742.5170.400000113.8E516E516-A518 PolarHBondContact O-N 3.33Å
519Q38.8Very low48.3Very low186 Ų186123.9 Ų123.987%0.86967%0.67SS**  trans-139.876.3162.5-68.2-168.23.800111.9
520H35.2Very low45.4Very low178 Ų178132 Ų13282%0.82470%0.704SS**  trans-125.289.9156.2-100.8-55000109.8
521V33.3Very low42.6Very low145 Ų145135.2 Ų135.288%0.87974%0.737SS**  trans-123.8108.8150.9-178.60000107.1
522K30.3Very low39.7Very low168 Ų168140.4 Ų140.473%0.7376%0.762SS**  trans-62.8159.4173.5-71.4176.9175.4173.30110.8
523P29.1Very low37Very low133 Ų133143 Ų14386%0.86478%0.781SS**  -135149.6105.431.2-16.7000113.9
524S27Very low34.6Very low97 Ų97151 Ų15168%0.67881%0.81SS**  trans-109.2177.9172.853.20000109.5
525P41.2Very low32.6Very low114 Ų114155 Ų15574%0.7482%0.819SS**  cis-135.7168.5-30.730.4-10.9000113.3
526T26.1Very low31.2Very low148 Ų148160 Ų16091%0.90883%0.828SS**  trans-144.7140.3146.6330000112.4
527K25.8Very low30.1Very low193 Ų193155.1 Ų155.184%0.83982%0.822SS**  trans-61.9147.1-174.6-67.4165.9172170.80113.3
528D27.9Very low29.2Very low132 Ų132154.3 Ų154.371%0.70682%0.823SS**  -176.5130.2104.2-100.3-36.3000115.1
529K27.3Very low28.5Very low181 Ų181153.2 Ų153.279%0.78782%0.821SS**  trans49114.5137.7-76172.7-177.31630123.1
530K23.6Very low27.9Very low209 Ų209154.8 Ų154.891%0.90983%0.825SS**  103.5123.5106.1-161.5178.8-171.8-175.10119.4
531G27.2Very low27.4Very low68 Ų68155 Ų15570%0.70183%0.826SS**  trans12096.8160.400000112.5
532K24.8Very low27Very low211 Ų211153.1 Ų153.192%0.91782%0.819SS**  52.4101.167.1-134.4-175.6-171.7-178.20111.5
533S27.2Very low27.1Very low111 Ų111150.5 Ų150.578%0.77682%0.819SS**  -163.8123.781.242.60000111
534K25.5Very low27Very low200 Ų200151.5 Ų151.587%0.8782%0.817SS**  41.6110.596.5-88.6-169.4178.3-177.20116.3
535E27Very low27Very low201 Ų201152.1 Ų152.194%0.93982%0.821SS**  -157.9147.8115.4-127.6171.9-175.800112.4
536K24.9Very low26.3Very low207 Ų207158.1 Ų158.190%0.983%0.829SS**  trans-114.4147.6-171.5-81.6179.3168.4-174.60109.4
537A26.8Very low26.5Very low96 Ų96159.5 Ų159.579%0.79383%0.825SS**  trans-170.2108.813400000108.2
538N24Very low26.6Very low175 Ų175160 Ų16094%0.93683%0.827SS**  45.3122.787.3-107.817.1000113.5
539G24.8Very low26.3Very low65 Ų65160.8 Ų160.867%0.6783%0.831SS**  cis166.9164.33.500000109.7
540K26.1Very low26.5Very low218 Ų218157.2 Ų157.295%0.94883%0.829SS**  trans169.6128135.2-97.1176.7178.9-179.90111.9
541E24.8Very low26.9Very low184 Ų184155 Ų15586%0.8682%0.822SS**  trans-71.6133.9172.8-67.2172.6148.700111.3
542S24.9Very low27.2Very low104 Ų104160.9 Ų160.973%0.72783%0.828SS**  80153.610894.60000115.4
543P34.1Very low27.8Very low113 Ų113158 Ų15873%0.73482%0.822SS**  cis-135.1162.234.536.4-15.7000118.1
544L25.3Very low28.1Very low155 Ų155158.1 Ų158.181%0.81282%0.821SS**  trans-27.2130.8164.2-71.199.9000116.6
545S27.1Very low29.1Very low109 Ų109154 Ų15476%0.76282%0.815SS**  trans-126.1124.3137.9620000109Q547S545-Q547 PolarHBondContact O-N 2.96Å
546R28Very low30.7Very low240 Ų240148.2 Ų148.291%0.90680%0.795SS**  trans-64.5114.3177.7-76.9169.4167.4158.6-5109.4
547Q30.1Very low32.9Very low177 Ų177146 Ų14683%0.82779%0.788SS**  trans-121.4122.1155.4-99.2174.5-4200109S545 N549S545-Q547 PolarHBondContact O-N 2.96Å; Q547-N549 PolarHBondContact O-N 2.97Å
548K26.7Very low35.5Very low204 Ų204144.4 Ų144.489%0.88777%0.765SS**  trans-46.8119174.9-78.9169.3167.5175.80109.7S550K548-S550 PolarHBondContact O-N 3.37Å
549N23.1Very low38.2Very low149 Ų149139.6 Ų139.680%0.79774%0.742SS**  trans-60.7101.8157.8-85.9-4.7000107.5Q547 E551Q547-N549 PolarHBondContact O-N 2.97Å; N549-E551 VanDerWaalsContact C-N 3.27Å; N549-E551 PolarHBondContact O-N 3.1Å
550S29.8Very low41.1Very low105 Ų105142.1 Ų142.173%0.73474%0.737SS**  trans-76.194.4142.8570000105.2K548 K552K548-S550 PolarHBondContact O-N 3.37Å; S550-K552 VanDerWaalsContact C-N 3.26Å; S550-K552 PolarHBondContact O-N 3.46Å
551E31.9Very low43.9Very low162 Ų162134.5 Ų134.576%0.75771%0.706SS**  trans-54.4101.8159.7-84.2175.9161.200106.4N549 L553N549-E551 VanDerWaalsContact C-N 3.27Å; N549-E551 PolarHBondContact O-N 3.1Å; E551-L553 PolarHBondContact O-N 3.15Å
552K34.8Very low46.8Very low192 Ų192130.9 Ų130.984%0.83570%0.699SS**  trans-60.899.8154-85.4179.4173.5178.80104.1S550 C554S550-K552 VanDerWaalsContact C-N 3.26Å; S550-K552 PolarHBondContact O-N 3.46Å; K552-C554 PolarHBondContact O-N 3Å
553L36.7Very low49.7Very low152 Ų152128.9 Ų128.980%0.79668%0.683SS**  trans-50.7108.8160.1-89106.8000106.1E551E551-L553 PolarHBondContact O-N 3.15Å
554C32.7Very low52.3Low112 Ų112128.4 Ų128.476%0.75767%0.673SS**PPolyproline II helixtrans-56.1125156.9-76.50000105.6K552K552-C554 PolarHBondContact O-N 3Å
555P48.5Very low55.3Low115 Ų115128.3 Ų128.375%0.74766%0.662SS**PPolyproline II helixtrans-55.4137.4177.420-29000108.8E557P555-E557 PolarHBondContact O-N 2.82Å
556P58.8Low58.3Low78 Ų78127.8 Ų127.851%0.50665%0.646SS.*PPolyproline II helixtrans-56135-179.122.5-31.9000109.2L558P556-L558 PolarHBondContact O-N 3.17Å
557E71.1Confident61.2Low161 Ų161120.7 Ų120.775%0.75263%0.626SS**PPolyproline II helixtrans-61.1124.3173.4-168.3168.6-174.600107.8A513 P555A513-E557 HydrophobicContact CB-CB 4.16Å; A513-E557 WeakPolarHBondContact CB-O 3.37Å; A513-E557 PolarHBondContact N-O 2.9Å; P555-E557 PolarHBondContact O-N 2.82Å
558L81.3Confident63.9Low62 Ų62114.3 Ų114.333%0.32560%0.597SS.*EExtended strand (participates in β ladder)trans-97.5133.4-176.3-63.8177.3000109.9F309 W511 P556F309-L558 HydrophobicContact CE1-CD2 3.74Å; F309-L558 HydrophobicContact CZ-CD2 4.46Å; W511-L558 CarbonylContact O-C 3.56Å; W511-L558 VanDerWaalsContact O-CA 3.26Å; W511-L558 WeakPolarHBondContact O-CA 3.32Å; P556-L558 PolarHBondContact O-N 3.17Å
559V81.8Confident66.9Low75 Ų75108 Ų10846%0.45557%0.573SS.*EExtended strand (participates in β ladder)trans-93.3126.7170-178.80000108.4S510 W511 A513S510-V559 CarbonylContact C-O 3.53Å; S510-V559 WeakPolarHBondContact CA-O 3.26Å; W511-V559 PolarHBondContact N-O 3.47Å; W511-V559 PolarHBondContact O-N 2.61Å; A513-V559 HydrophobicContact CB-CG2 4.1Å
560H85.7Confident70.2Confident118 Ų118103.2 Ų103.255%0.54655%0.551SS.*EExtended strand (participates in β ladder)trans-102.9131.6-175.8-57.9-66.3000111.7I508 L509 S510I508-H560 HydrophobicContact CG2-CB 4Å; L509-H560 WeakPolarHBondContact O-CA 3.31Å; S510-H560 VanDerWaalsContact CB-ND1 3.32Å; S510-H560 WeakPolarHBondContact CB-ND1 3.41Å; S510-H560 PolarHBondContact OG-CE1 2.99Å; S510-H560 PolarHBondContact OG-ND1 2.7Å
561D85Confident73.3Confident58 Ų5899.4 Ų99.431%0.3152%0.523SS..PPolyproline II helixtrans-70.5159.1171-72.4-18000111.3L509 W511L509-D561 HydrophobicContact CB-CB 4.15Å; L509-D561 PolarHBondContact O-N 3.17Å; W511-D561 PolarHBondContact NE1-OD2 2.91Å
562P84.8Confident76.3Confident108 Ų10896 Ų9670%0.70151%0.507SS*.PPolyproline II helixtrans-53.7135173.1-2634.7000112.1I564P562-I564 PolarHBondContact O-N 3.23Å
563P87Confident79.1Confident61 Ų6186.9 Ų86.940%0.39647%0.468SS..PPolyproline II helixtrans-65.2129.1-177.722.5-31.1000112E506 I508E506-P563 VanDerWaalsContact CD-CB 3.43Å; E506-P563 HydrophobicContact CG-CB 3.48Å; E506-P563 VanDerWaalsContact CG-CB 3.48Å; I508-P563 HydrophobicContact CG1-CB 4Å
564I87.9Confident81.9Confident104 Ų10483.8 Ų83.853%0.53346%0.457SS..EExtended strand (participates in β ladder)trans-92.2124173.8-56.5172.6000108.4E506 K507 P562E506-I564 CarbonylContact C-O 3.4Å; E506-I564 WeakPolarHBondContact CA-O 3.3Å; K507-I564 PolarHBondContact N-O 3.22Å; K507-I564 PolarHBondContact O-N 3.46Å; P562-I564 PolarHBondContact O-N 3.23Å
565R89.1Confident84.8Confident153 Ų15378.5 Ų78.558%0.57742%0.421SS*.EExtended strand (participates in β ladder)trans-107.9132.9-178.7-63.1-179.8-176.5160.610.2111.6E505 E506E505-R565 CarbonylContact O-C 3.55Å; E505-R565 VanDerWaalsContact O-CA 3.29Å; E505-R565 WeakPolarHBondContact O-CA 3.3Å; E506-R565 HydrophobicContact CB-CG 4.44Å; E506-R565 HydrophobicContact CG-CG 4.23Å; E506-R565 IonicContact OE2-CZ 2.83Å; E506-R565 IonicContact OE2-NE 3.17Å; E506-R565 PolarHBondContact OE2-NE 3.22Å; E506-R565 IonicContact OE2-NH2 3.17Å
566K89.1Confident86.8Confident97 Ų9776 Ų7642%0.42240%0.399SS..EExtended strand (participates in β ladder)trans-125.7130.7176.8-172.3175.7-178.4177.20109.5E505 L568 E597E505-K566 PolarHBondContact N-O 3.07Å; E505-K566 PolarHBondContact O-N 3.12Å; K566-L568 PolarHBondContact O-N 2.83Å; K566-E597 IonicContact NZ-OE1 2.92Å; K566-E597 PolarHBondContact NZ-OE1 2.93Å; K566-E597 VanDerWaalsContact NZ-OE1 3.1Å
567L90.1Very high88.5Confident92 Ų9275 Ų7548%0.48239%0.394SS..EExtended strand (participates in β ladder)trans-74.4119.4166.3174.666.7000107.5N502 M504N502-L567 HydrophobicContact CB-CD1 3.66Å; M504-L567 HydrophobicContact CE-CB 4.36Å; M504-L567 HydrophobicContact SD-CB 3.94Å; M504-L567 HydrophobicContact SD-CD1 3.53Å; M504-L567 VanDerWaalsContact SD-CD1 3.53Å; M504-L567 HydrophobicContact SD-CG 4.36Å
568L86.5Confident89.6Confident42 Ų4267.3 Ų67.322%0.2236%0.358CS..EExtended strand (participates in β ladder)trans-81.2-55.2179-68.2173.4000110.5Y316 L503 E505 K566 L594Y316-L568 HydrophobicContact CD1-CD1 3.91Å; Y316-L568 HydrophobicContact CE1-CD1 3.95Å; L503-L568 HydrophobicContact CB-CB 4.42Å; L503-L568 HydrophobicContact CD2-CB 4.24Å; L503-L568 HydrophobicContact CD2-CD1 3.85Å; L503-L568 HydrophobicContact CG-CB 4.25Å; L503-L568 HydrophobicContact CG-CD1 3.86Å; L503-L568 WeakPolarHBondContact O-CB 3.46Å; L503-L568 PolarHBondContact O-N 3.42Å; E505-L568 HydrophobicContact CB-CD1 3.84Å; E505-L568 HydrophobicContact CB-CD2 4.02Å; E505-L568 HydrophobicContact CB-CG 3.88Å; K566-L568 PolarHBondContact O-N 2.83Å; L568-L594 HydrophobicContact CB-CD1 4.45Å; L568-L594 HydrophobicContact CB-CD2 3.84Å; L568-L594 HydrophobicContact CD1-CD1 3.67Å; L568-L594 HydrophobicContact CD2-CD2 4.47Å; L568-L594 HydrophobicContact CG-CD1 4.43Å
569N89.2Confident90.1Very high71 Ų7164.5 Ų64.538%0.3834%0.343SS..EExtended strand (participates in β ladder)trans-161.5168174.4-156-5.4000111.6L503 F591L503-N569 PolarHBondContact N-O 3.17Å; N569-F591 HydrophobicContact CB-CB 4.12Å; N569-F591 HydrophobicContact CB-CD1 3.98Å; N569-F591 PolarHBondContact ND2-O 3.11Å
570S92.1Very high90.4Very high49 Ų4966.1 Ų66.134%0.34335%0.346SS..EExtended strand (participates in β ladder)trans-130.4140.9179.4-172.10000111.4L501 N502L501-S570 CarbonylContact O-C 3.57Å; L501-S570 VanDerWaalsContact O-CA 3.29Å; L501-S570 WeakPolarHBondContact O-CA 3.35Å; L501-S570 PolarHBondContact O-OG 2.72Å; N502-S570 VanDerWaalsContact OD1-CB 3.24Å; N502-S570 WeakPolarHBondContact OD1-CB 3.41Å; N502-S570 PolarHBondContact OD1-OG 2.78Å
571V94.7Very high90.3Very high25 Ų2562.9 Ų62.915%0.15235%0.345CS..EExtended strand (participates in β ladder)trans-125.2134.6178.5175.50000109.7H500 L501 C589 D590 F591H500-V571 WeakPolarHBondContact CA-O 3.32Å; L501-V571 PolarHBondContact N-O 3.39Å; L501-V571 PolarHBondContact O-N 3.4Å; V571-C589 HydrophobicContact CB-CB 4.3Å; V571-C589 HydrophobicContact CG1-CB 4.02Å; V571-C589 HydrophobicContact CG2-CB 4.5Å; V571-D590 WeakPolarHBondContact CG2-O 3.24Å; V571-F591 HydrophobicContact CB-CE1 4.25Å; V571-F591 HydrophobicContact CB-CZ 4.48Å; V571-F591 HydrophobicContact CG2-CD1 3.64Å; V571-F591 HydrophobicContact CG2-CD2 4.35Å; V571-F591 HydrophobicContact CG2-CE1 3.77Å; V571-F591 HydrophobicContact CG2-CE2 4.43Å; V571-F591 HydrophobicContact CG2-CG 3.97Å; V571-F591 HydrophobicContact CG2-CZ 4.17Å
572H94.6Very high90.4Very high90 Ų9061.4 Ų61.442%0.41734%0.343SS..EExtended strand (participates in β ladder)trans-91.8132.8172.4-179.6-108.3000111H497 H500H497-H572 PolarHBondContact O-CE1 2.99Å; H497-H572 PolarHBondContact O-NE2 2.77Å; H500-H572 AromaticContact CE1-CD2 3.48Å; H500-H572 PolarHBondContact CE1-CD2 2.96Å; H500-H572 VanDerWaalsContact CE1-CD2 3.48Å; H500-H572 AromaticContact CE1-CG 3.89Å; H500-H572 AromaticContact NE2-CD2 3.46Å; H500-H572 PolarHBondContact NE2-CD2 3.12Å
573I95Very high90.8Very high1 Ų159.7 Ų59.71%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-116.1115.3176.3-61.4120.5000109G498 L499 L501 M575 V585 L641G498-I573 CarbonylContact C-O 3.58Å; G498-I573 VanDerWaalsContact CA-O 3.24Å; G498-I573 WeakPolarHBondContact CA-O 3.24Å; L499-I573 HydrophobicContact CB-CB 4.47Å; L499-I573 HydrophobicContact CD2-CD1 4.47Å; L499-I573 HydrophobicContact CG-CD1 4.49Å; L499-I573 PolarHBondContact N-O 3.05Å; L499-I573 PolarHBondContact O-N 2.68Å; L501-I573 HydrophobicContact CB-CD1 4.2Å; L501-I573 HydrophobicContact CD1-CD1 3.75Å; L501-I573 HydrophobicContact CG-CD1 3.51Å; I573-M575 HydrophobicContact CG2-CG 4.47Å; I573-V585 HydrophobicContact CG2-CG1 4.1Å; I573-L641 HydrophobicContact CB-CD2 4.43Å; I573-L641 HydrophobicContact CD1-CD2 3.43Å; I573-L641 VanDerWaalsContact CD1-CD2 3.43Å; I573-L641 HydrophobicContact CG1-CD2 3.95Å; I573-L641 HydrophobicContact CG2-CD2 4.2Å
574P94.3Very high91.1Very high88 Ų8863.8 Ų63.857%0.57133%0.334SS*.  trans-70.2132.4174.128.6-33.2000110.5
575M94.3Very high91.5Very high1 Ų159.7 Ų59.71%0.00531%0.313CS..  trans-118.712.1-179.5-61.6-170.1-68.400113.3F494 F495 L499 I573 S577 L578F494-M575 HydrophobicContact CD1-CE 3.81Å; F494-M575 HydrophobicContact CE1-CE 3.46Å; F494-M575 VanDerWaalsContact CE1-CE 3.46Å; F494-M575 HydrophobicContact CZ-CE 4.18Å; F495-M575 HydrophobicContact CB-CB 4.18Å; F495-M575 HydrophobicContact CD1-CB 4.21Å; F495-M575 HydrophobicContact CD1-CE 3.47Å; F495-M575 VanDerWaalsContact CD1-CE 3.47Å; F495-M575 HydrophobicContact CD1-SD 3.88Å; F495-M575 HydrophobicContact CE1-CE 4Å; F495-M575 HydrophobicContact CE1-SD 4.01Å; F495-M575 HydrophobicContact CG-CB 4.36Å; F495-M575 CarbonylContact O-C 3.49Å; F495-M575 VanDerWaalsContact O-C 3.31Å; L499-M575 HydrophobicContact CB-CE 3.67Å; L499-M575 HydrophobicContact CB-SD 3.88Å; I573-M575 HydrophobicContact CG2-CG 4.47Å; M575-S577 PolarHBondContact O-N 2.82Å; M575-S577 VanDerWaalsContact O-N 3.1Å; M575-L578 HydrophobicContact CB-CD1 4.36Å; M575-L578 WeakPolarHBondContact O-CB 3.03Å; M575-L578 PolarHBondContact O-N 3.28Å
576Q91.2Very high91.7Very high62 Ų6257 Ų5729%0.2932%0.318SS..Hα-helixtrans-57.2-29.9-176.9-171.664.553.700113.3F495 L578 V579 Q580F495-Q576 PolarHBondContact O-N 2.81Å; Q576-L578 VanDerWaalsContact C-N 3.28Å; Q576-L578 PolarHBondContact O-N 3.22Å; Q576-V579 WeakPolarHBondContact O-CB 3.36Å; Q576-V579 PolarHBondContact O-N 3.34Å; Q576-Q580 WeakPolarHBondContact O-CG 3.38Å; Q576-Q580 PolarHBondContact O-N 2.86Å
577S93.1Very high91.9Very high56 Ų5654.3 Ų54.339%0.39231%0.311SS..Hα-helixtrans-62.6-32.8178.3550000112.7M575 V579 Q580 G581 G582 V585M575-S577 PolarHBondContact O-N 2.82Å; M575-S577 VanDerWaalsContact O-N 3.1Å; S577-V579 VanDerWaalsContact C-N 3.31Å; S577-V579 PolarHBondContact O-N 3.48Å; S577-Q580 PolarHBondContact O-N 3.26Å; S577-Q580 VanDerWaalsContact O-N 3.17Å; S577-G581 PolarHBondContact O-N 3.43Å; S577-G582 WeakPolarHBondContact O-CA 3.37Å; S577-G582 PolarHBondContact O-N 2.8Å; S577-V585 WeakPolarHBondContact OG-CG2 3.47Å
578L94Very high92Very high1 Ų154.4 Ų54.41%0.00532%0.316CS..Hα-helixtrans-64.5-37.8175.7-63.6178.8000111.5F495 M575 Q576 Q580 G581 G582 V585 V643 L645F495-L578 HydrophobicContact CD2-CB 3.93Å; F495-L578 HydrophobicContact CD2-CD1 4.27Å; F495-L578 HydrophobicContact CE1-CD1 4.31Å; F495-L578 HydrophobicContact CE2-CB 4.11Å; F495-L578 HydrophobicContact CE2-CD1 3.95Å; F495-L578 HydrophobicContact CZ-CD1 3.95Å; M575-L578 HydrophobicContact CB-CD1 4.36Å; M575-L578 WeakPolarHBondContact O-CB 3.03Å; M575-L578 PolarHBondContact O-N 3.28Å; Q576-L578 VanDerWaalsContact C-N 3.28Å; Q576-L578 PolarHBondContact O-N 3.22Å; L578-Q580 VanDerWaalsContact C-N 3.31Å; L578-Q580 PolarHBondContact O-N 3.22Å; L578-G581 PolarHBondContact O-N 3.38Å; L578-G582 WeakPolarHBondContact CD2-O 3.42Å; L578-V585 HydrophobicContact CD1-CG2 4.15Å; L578-V585 HydrophobicContact CD2-CG2 3.88Å; L578-V585 HydrophobicContact CG-CG2 3.67Å; L578-V643 HydrophobicContact CD1-CG1 3.95Å; L578-L645 HydrophobicContact CB-CD1 3.92Å; L578-L645 HydrophobicContact CD2-CD1 4.16Å; L578-L645 HydrophobicContact CD2-CG 4.39Å; L578-L645 HydrophobicContact CG-CD1 4.48Å
579V92.3Very high92.2Very high2 Ų252.5 Ų52.51%0.01231%0.305CS..Hα-helixtrans-67.4-35.5174.8-177.90000110.8G233 K492 F495 Q576 S577 G581G233-V579 WeakPolarHBondContact CA-O 3.44Å; G233-V579 PolarHBondContact N-O 3.43Å; K492-V579 HydrophobicContact CD-CG1 4.44Å; K492-V579 HydrophobicContact CG-CG1 3.95Å; K492-V579 HydrophobicContact CG-CG2 4.45Å; F495-V579 HydrophobicContact CB-CG2 3.49Å; F495-V579 VanDerWaalsContact CB-CG2 3.49Å; F495-V579 HydrophobicContact CD2-CG2 4.27Å; F495-V579 HydrophobicContact CG-CG2 4.42Å; Q576-V579 WeakPolarHBondContact O-CB 3.36Å; Q576-V579 PolarHBondContact O-N 3.34Å; S577-V579 VanDerWaalsContact C-N 3.31Å; S577-V579 PolarHBondContact O-N 3.48Å; V579-G581 PolarHBondContact O-N 3.35Å
580Q87.9Confident92.2Very high109 Ų10953.3 Ų53.351%0.50931%0.31SS..THydrogen-bonded Turntrans-79.911.6-178.4-66177.50.300114.1Q576 S577 L578Q576-Q580 WeakPolarHBondContact O-CG 3.38Å; Q576-Q580 PolarHBondContact O-N 2.86Å; S577-Q580 PolarHBondContact O-N 3.26Å; S577-Q580 VanDerWaalsContact O-N 3.17Å; L578-Q580 VanDerWaalsContact C-N 3.31Å; L578-Q580 PolarHBondContact O-N 3.22Å
581G83.5Confident92Very high50 Ų5051 Ų5152%0.51529%0.294SS..THydrogen-bonded Turntrans95.58.6178.600000114.6S577 L578 V579S577-G581 PolarHBondContact O-N 3.43Å; L578-G581 PolarHBondContact O-N 3.38Å; V579-G581 PolarHBondContact O-N 3.35Å
582G88.3Confident91.3Very high27 Ų2750.7 Ų50.728%0.27830%0.295SS..  trans-70.3145.1169.900000111.9S577 L578S577-G582 WeakPolarHBondContact O-CA 3.37Å; S577-G582 PolarHBondContact O-N 2.8Å; L578-G582 WeakPolarHBondContact CD2-O 3.42Å
583Q92.4Very high90.5Very high73 Ų7350.3 Ų50.334%0.34130%0.301SS..SBendtrans-89.6-34.9179.7-171.5-179.7-9.500112.9E644 L645 K647Q583-E644 HydrophobicContact CG-CG 4.48Å; Q583-E644 CarbonylContact O-C 3.51Å; Q583-E644 WeakPolarHBondContact O-CA 3.03Å; Q583-L645 VanDerWaalsContact CG-O 3.32Å; Q583-L645 WeakPolarHBondContact CG-O 3.24Å; Q583-L645 PolarHBondContact O-N 3.31Å; Q583-K647 HydrophobicContact CG-CG 4.11Å
584R94.7Very high89.4Confident147 Ų14751.8 Ų51.856%0.55531%0.308SS*.EExtended strand (participates in β ladder)trans-140.8142-173-173.5-176.2-70.9168.12.3111.9V643 E644R584-V643 CarbonylContact C-O 3.57Å; R584-V643 VanDerWaalsContact CA-O 3.31Å; R584-V643 WeakPolarHBondContact CA-O 3.4Å; R584-E644 HydrophobicContact CB-CB 4.47Å; R584-E644 HydrophobicContact CB-CG 4.42Å; R584-E644 HydrophobicContact CG-CB 4.25Å; R584-E644 IonicContact CZ-OE1 3Å; R584-E644 IonicContact CZ-OE2 2.8Å; R584-E644 IonicContact NE-OE1 2.68Å; R584-E644 IonicContact NE-OE2 2.83Å; R584-E644 PolarHBondContact NE-OE2 3.4Å; R584-E644 IonicContact NH2-OE1 2.79Å; R584-E644 PolarHBondContact NH2-OE1 3.24Å; R584-E644 IonicContact NH2-OE2 2.76Å; R584-E644 PolarHBondContact NH2-OE2 2.97Å
585V95.3Very high87.8Confident17 Ų1756.6 Ų56.610%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-116.9114.8167.8172.20000107.8I573 S577 L578 S642 V643I573-V585 HydrophobicContact CG2-CG1 4.1Å; S577-V585 WeakPolarHBondContact OG-CG2 3.47Å; L578-V585 HydrophobicContact CD1-CG2 4.15Å; L578-V585 HydrophobicContact CD2-CG2 3.88Å; L578-V585 HydrophobicContact CG-CG2 3.67Å; V585-S642 CarbonylContact O-C 3.6Å; V585-S642 WeakPolarHBondContact O-CA 3.38Å; V585-V643 PolarHBondContact N-O 3.14Å; V585-V643 PolarHBondContact O-N 3.28Å
586S93.8Very high86Confident97 Ų9759 Ų5968%0.67834%0.338SS*.EExtended strand (participates in β ladder)trans-110.3126.5171.759.70000109.5L641S586-L641 CarbonylContact C-O 3.51Å; S586-L641 WeakPolarHBondContact CA-O 3.13Å
587S92.2Very high83.8Confident41 Ų4163 Ų6329%0.28736%0.356SS..EExtended strand (participates in β ladder)trans-135.4138.6179.7-167.80000111.2L641S587-L641 PolarHBondContact N-O 2.62Å; S587-L641 PolarHBondContact O-N 3.08Å
588V92.8Very high81.2Confident94 Ų9465.2 Ų65.257%0.5737%0.369SS*.EExtended strand (participates in β ladder)trans-93.9104.4165.7-176.40000106.6D590 T638 E640V588-D590 PolarHBondContact O-N 3.05Å; V588-T638 HydrophobicContact CG1-CG2 4.15Å; V588-E640 HydrophobicContact CG2-CG 4.37Å
589C90.5Very high78.5Confident1 Ų169.1 Ų69.11%0.00740%0.395CS..EExtended strand (participates in β ladder)trans-82.2105.6-174.3-54.70000108.9L501 V571 F591 T638 V639L501-C589 HydrophobicContact CD1-CB 4.35Å; V571-C589 HydrophobicContact CB-CB 4.3Å; V571-C589 HydrophobicContact CG1-CB 4.02Å; V571-C589 HydrophobicContact CG2-CB 4.5Å; C589-F591 HydrophobicContact CB-CE2 4.01Å; C589-F591 HydrophobicContact CB-CZ 4.44Å; C589-F591 WeakPolarHBondContact O-CD2 3.26Å; C589-T638 CarbonylContact O-C 3.44Å; C589-T638 VanDerWaalsContact O-CA 3.27Å; C589-T638 WeakPolarHBondContact O-CA 3.31Å; C589-V639 HydrophobicContact CB-CB 4.46Å; C589-V639 WeakPolarHBondContact CB-O 3.42Å; C589-V639 PolarHBondContact N-O 3.42Å; C589-V639 PolarHBondContact O-N 3.21Å
590D90.1Very high75.7Confident88 Ų8874.9 Ų74.947%0.47143%0.432SS..EExtended strand (participates in β ladder)trans-89.1112.7178.6-172-8.9000110.5V571 V588 G592 P636 T638V571-D590 WeakPolarHBondContact CG2-O 3.24Å; V588-D590 PolarHBondContact O-N 3.05Å; D590-G592 VanDerWaalsContact C-N 3.29Å; D590-G592 WeakPolarHBondContact OD1-CA 3.29Å; D590-G592 PolarHBondContact OD1-N 2.8Å; D590-P636 VanDerWaalsContact OD1-CB 3.31Å; D590-P636 WeakPolarHBondContact OD1-CB 3.3Å; D590-T638 HydrophobicContact CB-CG2 4.28Å
591F86.7Confident73.1Confident2 Ų279.2 Ų79.21%0.00945%0.449CS..  trans-88.95.9176.7-65.8-88.6000112.2L501 L503 N569 V571 C589 V637 V639L501-F591 HydrophobicContact CB-CZ 4.11Å; L503-F591 HydrophobicContact CB-CD1 3.83Å; L503-F591 HydrophobicContact CB-CE1 3.78Å; L503-F591 HydrophobicContact CB-CG 4.23Å; L503-F591 HydrophobicContact CB-CZ 4.16Å; L503-F591 HydrophobicContact CD2-CG 4.41Å; N569-F591 HydrophobicContact CB-CB 4.12Å; N569-F591 HydrophobicContact CB-CD1 3.98Å; N569-F591 PolarHBondContact ND2-O 3.11Å; V571-F591 HydrophobicContact CB-CE1 4.25Å; V571-F591 HydrophobicContact CB-CZ 4.48Å; V571-F591 HydrophobicContact CG2-CD1 3.64Å; V571-F591 HydrophobicContact CG2-CD2 4.35Å; V571-F591 HydrophobicContact CG2-CE1 3.77Å; V571-F591 HydrophobicContact CG2-CE2 4.43Å; V571-F591 HydrophobicContact CG2-CG 3.97Å; V571-F591 HydrophobicContact CG2-CZ 4.17Å; C589-F591 HydrophobicContact CB-CE2 4.01Å; C589-F591 HydrophobicContact CB-CZ 4.44Å; C589-F591 WeakPolarHBondContact O-CD2 3.26Å; F591-V637 HydrophobicContact CB-CB 4.18Å; F591-V637 HydrophobicContact CB-CG1 4.48Å; F591-V637 HydrophobicContact CD2-CG1 4.45Å; F591-V637 PolarHBondContact N-O 2.97Å; F591-V639 HydrophobicContact CD2-CG2 4.28Å; F591-V639 HydrophobicContact CE2-CB 3.9Å; F591-V639 HydrophobicContact CE2-CG2 3.59Å; F591-V639 HydrophobicContact CZ-CG2 4.47Å
592G81.4Confident70.6Confident17 Ų1784.7 Ų84.718%0.17546%0.461CS..  trans68.9-175.4-17700000113.3D590 V637D590-G592 VanDerWaalsContact C-N 3.29Å; D590-G592 WeakPolarHBondContact OD1-CA 3.29Å; D590-G592 PolarHBondContact OD1-N 2.8Å; G592-V637 PolarHBondContact O-N 3.11Å
593P76.1Confident67.9Low82 Ų8292.3 Ų92.353%0.53249%0.49SS..PPolyproline II helixtrans-73.5129.6177.130-33.3000110.8P634P593-P634 HydrophobicContact CB-CB 3.56Å; P593-P634 HydrophobicContact CB-CG 3.48Å; P593-P634 VanDerWaalsContact CB-CG 3.48Å; P593-P634 HydrophobicContact CG-CG 4.11Å
594L72.6Confident64.9Low33 Ų3397.7 Ų97.717%0.17352%0.515CS..PPolyproline II helixtrans-84.8131.8172.8-65.3-177.9000110.6P296 L503 L568 V637P296-L594 HydrophobicContact CG-CB 3.93Å; L503-L594 HydrophobicContact CD2-CD1 4.08Å; L568-L594 HydrophobicContact CB-CD1 4.45Å; L568-L594 HydrophobicContact CB-CD2 3.84Å; L568-L594 HydrophobicContact CD1-CD1 3.67Å; L568-L594 HydrophobicContact CD2-CD2 4.47Å; L568-L594 HydrophobicContact CG-CD1 4.43Å; L594-V637 HydrophobicContact CB-CG2 4.41Å; L594-V637 HydrophobicContact CD1-CB 4.48Å; L594-V637 HydrophobicContact CD1-CG2 3.57Å; L594-V637 HydrophobicContact CG-CB 4.43Å; L594-V637 HydrophobicContact CG-CG2 3.57Å
595H60.7Low61.7Low188 Ų18899.6 Ų99.687%0.8753%0.53SS*.PPolyproline II helixtrans-87.4118.4174.2-131.8-2.8000109.7E597H595-E597 PolarHBondContact O-N 3.01Å
596V56.7Low58.4Low52 Ų52105.4 Ų105.432%0.31557%0.566SS.*  trans-80113.8170.6-176.10000107.7P296P296-V596 HydrophobicContact CB-CG2 3.57Å; P296-V596 HydrophobicContact CG-CG2 3.56Å
597E45.9Very low55.3Low146 Ų146110.1 Ų110.168%0.68258%0.577SS**PPolyproline II helixtrans-66.5124.5167.8-79.2169.5-148.100108.3K566 H595K566-E597 IonicContact NZ-OE1 2.92Å; K566-E597 PolarHBondContact NZ-OE1 2.93Å; K566-E597 VanDerWaalsContact NZ-OE1 3.1Å; H595-E597 PolarHBondContact O-N 3.01Å
598P37.9Very low52.3Low102 Ų102117.6 Ų117.666%0.66260%0.604SS**PPolyproline II helixtrans-62.4147.2174.824.6-31.2000110
599P36.5Very low49.2Very low83 Ų83122.5 Ų122.554%0.53962%0.618SS.*PPolyproline II helixtrans-58147.317823.1-31.7000110.8K601P599-K601 PolarHBondContact O-N 3.25Å
600P34Very low46.2Very low123 Ų123128.4 Ų128.480%0.79966%0.657SS**PPolyproline II helixtrans-59.2124.3178.724-31.8000109.3Q602P600-Q602 PolarHBondContact O-N 3.1Å
601K32.2Very low43.1Very low201 Ų201134.6 Ų134.687%0.87468%0.679SS**PPolyproline II helixtrans-60.4119.3167.6-69.2-178.9178.2-177.80107P599 E603P599-K601 PolarHBondContact O-N 3.25Å; K601-E603 PolarHBondContact O-N 3.13Å
602Q33.1Very low40.2Very low164 Ų164138.2 Ų138.277%0.76672%0.717SS**PPolyproline II helixtrans-55.8132.2168.3-73179-7.700108.1P600 E604P600-Q602 PolarHBondContact O-N 3.1Å; Q602-E604 PolarHBondContact O-N 3.2Å
603E30.2Very low37.6Very low188 Ų188148 Ų14888%0.87976%0.755SS**  trans-60.8108.4172.2-69177.4159.300107.9K601 E605K601-E603 PolarHBondContact O-N 3.13Å; E603-E605 PolarHBondContact O-N 3.06Å
604E29.1Very low35.3Very low186 Ų186147.9 Ų147.987%0.86977%0.768SS**  trans-62.9106.1163.8-85.5-177.7155.500107.6Q602 T606Q602-E604 PolarHBondContact O-N 3.2Å; E604-T606 PolarHBondContact O-N 3.35Å; E604-T606 VanDerWaalsContact O-N 3.11Å
605E28Very low33.2Very low186 Ų186155.6 Ų155.687%0.86980%0.801SS**  trans-52.8116.3164.5-82.4-172.9143.200109E603 E607E603-E605 PolarHBondContact O-N 3.06Å; E605-E607 PolarHBondContact O-N 2.88Å
606T26.1Very low31.7Very low140 Ų140154.2 Ų154.286%0.85980%0.8SS**  trans-62.696.2172.6470000110.3E604E604-T606 PolarHBondContact O-N 3.35Å; E604-T606 VanDerWaalsContact O-N 3.11Å
607E29.4Very low30.5Very low195 Ų195156.4 Ų156.491%0.91182%0.823SS**  trans-74.9131.7167.6-111.1-168.116500111.3E605E605-E607 PolarHBondContact O-N 2.88Å
608K29.4Very low29.7Very low198 Ų198158 Ų15886%0.86183%0.828SS**  trans-70.5135-174.3-71.2169.5177.6167.70111.5
609K25.8Very low29.3Very low198 Ų198161.4 Ų161.486%0.86183%0.832SS**  trans-35151.3164.5-70179.2173.4174.90114.4
610P27.8Very low29Very low125 Ų125167.5 Ų167.581%0.81284%0.844SS**  -114.9143.8129.529.6-18.2000112.2
611K26Very low28.6Very low217 Ų217167.4 Ų167.494%0.94384%0.837SS**  trans-68.8133.2175.1-80.8172.7170.2172.50110.7
612G26.4Very low28.4Very low79 Ų79165.9 Ų165.981%0.81484%0.835SS**  trans-160.1127.2164.200000111.1
613K25.5Very low28.1Very low223 Ų223163 Ų16397%0.9783%0.825SS**  trans-73.2150.6-168.9-68.2162.1168.6173.70113.5
614G27.8Very low28Very low78 Ų78162.8 Ų162.880%0.80482%0.824SS**  trans162116.9155.400000114.8
615K27.7Very low28.3Very low196 Ų196161.5 Ų161.585%0.85282%0.818SS**  trans-65.2141.8178.3-62.6162.7170.8178.50112.2
616D29.6Very low28.5Very low159 Ų159158.8 Ų158.885%0.8581%0.814SS**  172.7143.1100.3-93-38.5000112.4
617A31.3Very low28.8Very low98 Ų98158 Ų15881%0.8181%0.808SS**  trans-79.1137-178.400000111.7
618K30.6Very low29Very low179 Ų179153.5 Ų153.578%0.77880%0.796SS**  trans-148.6102.6148.4-147.7166.8-175.41670112
619K29.6Very low29.5Very low174 Ų174149.8 Ų149.876%0.75779%0.792SS**  trans-61.4129.9165.3-158.5-178.8-173.5-171.70109.3
620R29.3Very low29.9Very low210 Ų210146.3 Ų146.379%0.79279%0.788SS**  trans-142126.2149.9-71.6-164.9-161.2175.38109.3
621D27Very low30.5Very low122 Ų122145.9 Ų145.965%0.65279%0.785SS**  trans-74.9158.6178.3-63.4-57.1000112.2
622M27.1Very low31.4Very low169 Ų169141.6 Ų141.683%0.83378%0.776SS**  trans66.4141.5142.2-79-166.9101.500118.5
623D27.4Very low32.5Very low103 Ų103142.7 Ų142.755%0.55177%0.77SS**  cis-175.1134.91.9-171.44.7000103.9H625D623-H625 IonicContact OD1-CE1 3.94Å; D623-H625 PolarHBondContact OD1-CE1 3.39Å; D623-H625 IonicContact OD1-ND1 2.85Å; D623-H625 PolarHBondContact OD1-ND1 2.73Å; D623-H625 VanDerWaalsContact OD1-ND1 3.1Å; D623-H625 IonicContact OD2-CE1 3.04Å; D623-H625 IonicContact OD2-ND1 2.94Å
624E27.8Very low34.2Very low184 Ų184136.3 Ų136.386%0.8675%0.751SS**  trans-149109.4158.8-152.9169.5-163.700109.3T626E624-T626 PolarHBondContact O-N 3.05Å
625H34.1Very low36.2Very low159 Ų159137.3 Ų137.374%0.73674%0.741SS**  trans-66.995.5178.4-77.739000110.5D623 V627D623-H625 IonicContact OD1-CE1 3.94Å; D623-H625 PolarHBondContact OD1-CE1 3.39Å; D623-H625 IonicContact OD1-ND1 2.85Å; D623-H625 PolarHBondContact OD1-ND1 2.73Å; D623-H625 VanDerWaalsContact OD1-ND1 3.1Å; D623-H625 IonicContact OD2-CE1 3.04Å; D623-H625 IonicContact OD2-ND1 2.94Å; H625-V627 PolarHBondContact O-N 3.35Å
626T32.1Very low38.7Very low129 Ų129130.4 Ų130.479%0.79172%0.716SS**  trans-80.3104.7161.9-41.60000108.2E624E624-T626 PolarHBondContact O-N 3.05Å
627V33.8Very low41.4Very low122 Ų122122.9 Ų122.974%0.73968%0.676SS**PPolyproline II helixtrans-51.3123.8166.4178.20000107.9H625H625-V627 PolarHBondContact O-N 3.35Å
628P33.7Very low44.2Very low101 Ų101119.5 Ų119.566%0.65665%0.645SS**PPolyproline II helixtrans-63.3136.1177.224.7-30.9000108.8V630P628-V630 PolarHBondContact O-N 3.39Å
629P38.8Very low47.1Very low120 Ų120111 Ų11178%0.77961%0.608SS**PPolyproline II helixtrans-60.4128.5177.125-30.4000108.3
630V34.6Very low50.1Low126 Ų126104.8 Ų104.876%0.76458%0.582SS**PPolyproline II helixtrans-51126.1170.9178.10000107.4P628 V632P628-V630 PolarHBondContact O-N 3.39Å; V630-V632 PolarHBondContact O-N 2.93Å
631P39.7Very low53.2Low116 Ų11695 Ų9575%0.75355%0.545SS*.  trans-60.6111.5178.2-18.129000108.5P633P631-P633 WeakPolarHBondContact O-CD 3.42Å
632V46Very low56.5Low126 Ų12690.4 Ų90.476%0.76452%0.523SS*.PPolyproline II helixtrans-60.6121.6168.2-179.70000105.8V630V630-V632 PolarHBondContact O-N 2.93Å
633P49Very low59.7Low103 Ų10382.4 Ų82.467%0.66948%0.483SS*.PPolyproline II helixtrans-58.8134.7179.821.6-30.1000108.8P631 V635P631-P633 WeakPolarHBondContact O-CD 3.42Å; P633-V635 PolarHBondContact O-N 3.37Å
634P62Low63Low89 Ų8979.9 Ų79.958%0.57847%0.468SS*.PPolyproline II helixtrans-61.7128.3-176.524.6-33.1000109.6P593P593-P634 HydrophobicContact CB-CB 3.56Å; P593-P634 HydrophobicContact CB-CG 3.48Å; P593-P634 VanDerWaalsContact CB-CG 3.48Å; P593-P634 HydrophobicContact CG-CG 4.11Å
635V70Confident66.2Low99 Ų9971.1 Ų71.160%0.643%0.428SS*.PPolyproline II helixtrans-64.4124.2177.5-1800000107.9P633P633-V635 PolarHBondContact O-N 3.37Å
636P79.8Confident69Low51 Ų5167.3 Ų67.333%0.33141%0.41SS..PPolyproline II helixtrans-67.8143.6179.425.4-32000111D590 T638D590-P636 VanDerWaalsContact OD1-CB 3.31Å; D590-P636 WeakPolarHBondContact OD1-CB 3.3Å; P636-T638 PolarHBondContact O-N 2.9Å
637V85.4Confident71.8Confident0 Ų063 Ų630%038%0.381CS..PPolyproline II helixtrans-78.5124.4173.8-179.50000109.4L292 R293 G294 I295 L503 F591 G592 L594L292-V637 HydrophobicContact CD1-CG1 3.87Å; R293-V637 CarbonylContact O-C 3.34Å; R293-V637 VanDerWaalsContact O-CA 3.26Å; R293-V637 WeakPolarHBondContact O-CA 3.1Å; R293-V637 WeakPolarHBondContact O-CG1 3.47Å; G294-V637 VanDerWaalsContact O-CG2 3.25Å; G294-V637 WeakPolarHBondContact O-CG2 3.49Å; I295-V637 HydrophobicContact CG1-CG1 4.36Å; L503-V637 HydrophobicContact CD2-CB 4.39Å; L503-V637 HydrophobicContact CD2-CG1 3.56Å; F591-V637 HydrophobicContact CB-CB 4.18Å; F591-V637 HydrophobicContact CB-CG1 4.48Å; F591-V637 HydrophobicContact CD2-CG1 4.45Å; F591-V637 PolarHBondContact N-O 2.97Å; G592-V637 PolarHBondContact O-N 3.11Å; L594-V637 HydrophobicContact CB-CG2 4.41Å; L594-V637 HydrophobicContact CD1-CB 4.48Å; L594-V637 HydrophobicContact CD1-CG2 3.57Å; L594-V637 HydrophobicContact CG-CB 4.43Å; L594-V637 HydrophobicContact CG-CG2 3.57Å
638T90.3Very high74.6Confident28 Ų2858.6 Ų58.617%0.17235%0.35CS..EExtended strand (participates in β ladder)trans-127.7142.6-176.753.60000112.1L292 R293 V588 C589 D590 P636L292-T638 WeakPolarHBondContact CA-O 3.47Å; R293-T638 PolarHBondContact N-O 3.27Å; R293-T638 PolarHBondContact O-N 2.95Å; V588-T638 HydrophobicContact CG1-CG2 4.15Å; C589-T638 CarbonylContact O-C 3.44Å; C589-T638 VanDerWaalsContact O-CA 3.27Å; C589-T638 WeakPolarHBondContact O-CA 3.31Å; D590-T638 HydrophobicContact CB-CG2 4.28Å; P636-T638 PolarHBondContact O-N 2.9Å
639V92Very high77.2Confident0 Ų060.6 Ų60.60%035%0.349CS..EExtended strand (participates in β ladder)trans-126.2127.1171.8178.90000110.5L289 R291 L292 V318 L477 C589 F591L289-V639 HydrophobicContact CD2-CG1 3.76Å; R291-V639 VanDerWaalsContact O-CA 3.31Å; R291-V639 WeakPolarHBondContact O-CA 3.43Å; L292-V639 HydrophobicContact CB-CG2 4.3Å; L292-V639 HydrophobicContact CD1-CG2 3.33Å; L292-V639 HydrophobicContact CG-CG2 4.35Å; V318-V639 HydrophobicContact CG2-CG1 4.46Å; V318-V639 HydrophobicContact CG2-CG2 4Å; L477-V639 HydrophobicContact CD1-CG1 4.22Å; C589-V639 HydrophobicContact CB-CB 4.46Å; C589-V639 WeakPolarHBondContact CB-O 3.42Å; C589-V639 PolarHBondContact N-O 3.42Å; C589-V639 PolarHBondContact O-N 3.21Å; F591-V639 HydrophobicContact CD2-CG2 4.28Å; F591-V639 HydrophobicContact CE2-CB 3.9Å; F591-V639 HydrophobicContact CE2-CG2 3.59Å; F591-V639 HydrophobicContact CZ-CG2 4.47Å
640E93.3Very high79.6Confident43 Ų4356 Ų5620%0.20132%0.32CS..EExtended strand (participates in β ladder)trans-81.2118.1172.3-70.5176.5-163.300110.7L289 T290 R291 V588L289-E640 WeakPolarHBondContact CA-O 3.47Å; T290-E640 PolarHBondContact N-O 3.29Å; T290-E640 VanDerWaalsContact N-O 3.1Å; T290-E640 WeakPolarHBondContact OG1-CB 3.32Å; T290-E640 PolarHBondContact OG1-OE2 3.15Å; R291-E640 HydrophobicContact CB-CG 4.4Å; R291-E640 IonicContact CZ-OE1 3.8Å; R291-E640 IonicContact CZ-OE2 3.45Å; R291-E640 VanDerWaalsContact CZ-OE2 3.25Å; R291-E640 VanDerWaalsContact NE-CD 3.34Å; R291-E640 IonicContact NE-OE1 3.05Å; R291-E640 PolarHBondContact NE-OE1 3.26Å; R291-E640 IonicContact NE-OE2 3.34Å; R291-E640 PolarHBondContact NE-OE2 3.34Å; R291-E640 VanDerWaalsContact NE-OE2 3.17Å; R291-E640 VanDerWaalsContact NH2-CD 3.31Å; R291-E640 IonicContact NH2-OE1 2.68Å; R291-E640 PolarHBondContact NH2-OE1 2.9Å; R291-E640 IonicContact NH2-OE2 3.87Å; R291-E640 PolarHBondContact NH2-OE2 2.92Å; R291-E640 PolarHBondContact O-N 3.13Å; V588-E640 HydrophobicContact CG2-CG 4.37Å
641L94.4Very high82Confident5 Ų551.8 Ų51.83%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-114.1138.3175.6172.875000110.3L287 S288 L289 L499 L501 I573 S586 S587 V643L287-L641 HydrophobicContact CD1-CD1 4.17Å; L287-L641 HydrophobicContact CD2-CD1 3.82Å; L287-L641 HydrophobicContact CG-CD1 3.78Å; S288-L641 CarbonylContact O-C 3.48Å; S288-L641 WeakPolarHBondContact O-CA 3.41Å; L289-L641 HydrophobicContact CD2-CB 4.02Å; L289-L641 HydrophobicContact CD2-CD1 3.55Å; L289-L641 HydrophobicContact CD2-CG 4.39Å; L289-L641 HydrophobicContact CG-CD1 4.24Å; L499-L641 HydrophobicContact CD2-CD2 3.98Å; L501-L641 HydrophobicContact CD1-CB 4.1Å; L501-L641 HydrophobicContact CD1-CD1 4.36Å; L501-L641 HydrophobicContact CD1-CD2 3.99Å; L501-L641 HydrophobicContact CD1-CG 4.36Å; L501-L641 HydrophobicContact CG-CD2 4.45Å; I573-L641 HydrophobicContact CB-CD2 4.43Å; I573-L641 HydrophobicContact CD1-CD2 3.43Å; I573-L641 VanDerWaalsContact CD1-CD2 3.43Å; I573-L641 HydrophobicContact CG1-CD2 3.95Å; I573-L641 HydrophobicContact CG2-CD2 4.2Å; S586-L641 CarbonylContact C-O 3.51Å; S586-L641 WeakPolarHBondContact CA-O 3.13Å; S587-L641 PolarHBondContact N-O 2.62Å; S587-L641 PolarHBondContact O-N 3.08Å; L641-V643 HydrophobicContact CD1-CG2 4.13Å; L641-V643 HydrophobicContact CD2-CG2 4.15Å; L641-V643 HydrophobicContact CG-CG2 4.18Å
642S94.6Very high84.2Confident26 Ų2651.6 Ų51.618%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-129.5130.6165.1-178.50000110.4L287 S288 V585L287-S642 CarbonylContact C-O 3.37Å; L287-S642 WeakPolarHBondContact CA-O 3.06Å; S288-S642 PolarHBondContact N-O 3.08Å; S288-S642 PolarHBondContact O-N 3.21Å; V585-S642 CarbonylContact O-C 3.6Å; V585-S642 WeakPolarHBondContact O-CA 3.38Å
643V95.3Very high86Confident0 Ų049.4 Ų49.40%028%0.28CS..EExtended strand (participates in β ladder)trans-119.2126.6171.1-176.60000108.3V285 T286 L287 L578 R584 V585 L641V285-V643 HydrophobicContact CG1-CG1 3.7Å; T286-V643 CarbonylContact O-C 3.53Å; T286-V643 WeakPolarHBondContact O-CA 3.45Å; L287-V643 HydrophobicContact CD1-CG2 4.2Å; L287-V643 HydrophobicContact CG-CG2 4.19Å; L578-V643 HydrophobicContact CD1-CG1 3.95Å; R584-V643 CarbonylContact C-O 3.57Å; R584-V643 VanDerWaalsContact CA-O 3.31Å; R584-V643 WeakPolarHBondContact CA-O 3.4Å; V585-V643 PolarHBondContact N-O 3.14Å; V585-V643 PolarHBondContact O-N 3.28Å; L641-V643 HydrophobicContact CD1-CG2 4.13Å; L641-V643 HydrophobicContact CD2-CG2 4.15Å; L641-V643 HydrophobicContact CG-CG2 4.18Å
644E95.9Very high87.3Confident50 Ų5047 Ų4723%0.23427%0.268CS..EExtended strand (participates in β ladder)trans-131.7134.8-174.3-177.4166.3-169.600111.9V285 T286 Q583 R584V285-E644 CarbonylContact C-O 3.29Å; V285-E644 WeakPolarHBondContact CA-O 3.44Å; T286-E644 PolarHBondContact N-O 3.47Å; T286-E644 PolarHBondContact O-N 2.75Å; Q583-E644 HydrophobicContact CG-CG 4.48Å; Q583-E644 CarbonylContact O-C 3.51Å; Q583-E644 WeakPolarHBondContact O-CA 3.03Å; R584-E644 HydrophobicContact CB-CB 4.47Å; R584-E644 HydrophobicContact CB-CG 4.42Å; R584-E644 HydrophobicContact CG-CB 4.25Å; R584-E644 IonicContact CZ-OE1 3Å; R584-E644 IonicContact CZ-OE2 2.8Å; R584-E644 IonicContact NE-OE1 2.68Å; R584-E644 IonicContact NE-OE2 2.83Å; R584-E644 PolarHBondContact NE-OE2 3.4Å; R584-E644 IonicContact NH2-OE1 2.79Å; R584-E644 PolarHBondContact NH2-OE1 3.24Å; R584-E644 IonicContact NH2-OE2 2.76Å; R584-E644 PolarHBondContact NH2-OE2 2.97Å
645L95Very high88.6Confident1 Ų144.9 Ų44.91%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-90130.8168.1-74.3169.5000109.5M238 V285 F495 L578 Q583M238-L645 HydrophobicContact CB-CD1 4.35Å; M238-L645 HydrophobicContact CB-CD2 4.31Å; M238-L645 HydrophobicContact CG-CD1 4.29Å; V285-L645 HydrophobicContact CG2-CD2 3.73Å; F495-L645 HydrophobicContact CE2-CD1 4.39Å; F495-L645 HydrophobicContact CE2-CD2 4.19Å; L578-L645 HydrophobicContact CB-CD1 3.92Å; L578-L645 HydrophobicContact CD2-CD1 4.16Å; L578-L645 HydrophobicContact CD2-CG 4.39Å; L578-L645 HydrophobicContact CG-CD1 4.48Å; Q583-L645 VanDerWaalsContact CG-O 3.32Å; Q583-L645 WeakPolarHBondContact CG-O 3.24Å; Q583-L645 PolarHBondContact O-N 3.31Å
646E93Very high89.6Confident79 Ų7942.1 Ų42.137%0.36924%0.235SC..  trans-68133.6169.1-173.8176.3-169.200109.9P240 S284P240-E646 WeakPolarHBondContact CA-O 3.42Å; P240-E646 HydrophobicContact CB-CG 4.28Å; P240-E646 HydrophobicContact CG-CB 4.15Å; P240-E646 HydrophobicContact CG-CG 4.22Å; S284-E646 WeakPolarHBondContact CB-OE2 3.34Å; S284-E646 PolarHBondContact O-N 3.42Å; S284-E646 PolarHBondContact OG-OE2 3.31Å
647K91.8Very high90.1Very high39 Ų3941.6 Ų41.617%0.1723%0.229CC..  trans-141.4122.8-177.9-69.9-63.2-178.9-177.80110.1T237 T239 Y242 Q583T237-K647 PolarHBondContact O-NZ 2.94Å; T239-K647 PolarHBondContact O-NZ 2.98Å; Y242-K647 WeakPolarHBondContact O-CD 3.19Å; Y242-K647 PolarHBondContact O-NZ 3.09Å; Y242-K647 VanDerWaalsContact O-NZ 3.12Å; Q583-K647 HydrophobicContact CG-CG 4.11Å
648W91.1Very high90.4Very high28 Ų2844 Ų4411%0.10624%0.243CC..  trans-77.4130.9175.2-58.8-24.8000109.8P240 F269 L272 L278 D653 A654P240-W648 HydrophobicContact CB-CD2 3.88Å; P240-W648 HydrophobicContact CB-CG 4.08Å; P240-W648 HydrophobicContact CB-CZ2 4.03Å; P240-W648 PolarHBondContact O-N 3.24Å; P240-W648 VanDerWaalsContact O-N 3.08Å; F269-W648 WeakPolarHBondContact CE1-O 3.35Å; L272-W648 HydrophobicContact CD1-CE3 4.16Å; L272-W648 HydrophobicContact CD1-CZ3 4.2Å; L272-W648 HydrophobicContact CD2-CE3 4.44Å; L278-W648 HydrophobicContact CB-CH2 4.15Å; W648-D653 HydrophobicContact CB-CB 4.02Å; W648-D653 HydrophobicContact CG-CB 4.09Å; W648-D653 PolarHBondContact NE1-O 3.19Å; W648-A654 HydrophobicContact CD2-CB 3.74Å; W648-A654 HydrophobicContact CE3-CB 3.52Å; W648-A654 HydrophobicContact CG-CB 4.48Å; W648-A654 HydrophobicContact CH2-CB 3.83Å; W648-A654 HydrophobicContact CZ2-CB 4.02Å; W648-A654 HydrophobicContact CZ3-CB 3.58Å
649K89.4Confident90.4Very high143 Ų14345 Ų4562%0.62225%0.247SC*.SBendtrans-101.2-19.1174.9-64-179.4-179.71770111.5F269 D653F269-K649 VanDerWaalsContact CE1-C 3.42Å; F269-K649 VanDerWaalsContact CE1-O 3.32Å; F269-K649 WeakPolarHBondContact CE1-O 3.2Å; F269-K649 WeakPolarHBondContact CZ-O 3.46Å; K649-D653 WeakPolarHBondContact CA-OD2 3.45Å; K649-D653 WeakPolarHBondContact CB-OD2 3.48Å; K649-D653 PolarHBondContact N-OD2 2.96Å
650S88.3Confident90.3Very high25 Ų2548 Ų4818%0.17526%0.264CS..SBendtrans-147.8167.7176.570.60000111.5N268 S652 D653N268-S650 CarbonylContact O-C 3.48Å; N268-S650 WeakPolarHBondContact O-CA 3.3Å; S650-S652 PolarHBondContact O-N 3.38Å; S650-S652 PolarHBondContact OG-N 3.25Å; S650-D653 PolarHBondContact N-OD2 3.22Å; S650-D653 WeakPolarHBondContact O-CB 3.4Å; S650-D653 PolarHBondContact O-N 3.36Å; S650-D653 VanDerWaalsContact O-N 3.13Å; S650-D653 PolarHBondContact OG-OD2 2.98Å
651V85.8Confident90.1Very high37 Ų3748.4 Ų48.422%0.22427%0.268CS..G310 helixtrans-60.7-24.8171-178.50000112.5N268 F270 L272 I275 D653 A654N268-V651 WeakPolarHBondContact O-CG2 3.18Å; N268-V651 PolarHBondContact O-N 2.92Å; F270-V651 WeakPolarHBondContact O-CG2 3.44Å; L272-V651 HydrophobicContact CB-CG2 4Å; L272-V651 HydrophobicContact CD1-CG2 4.39Å; I275-V651 HydrophobicContact CD1-CG1 3.62Å; V651-D653 VanDerWaalsContact C-N 3.25Å; V651-D653 PolarHBondContact O-N 2.85Å; V651-A654 PolarHBondContact O-N 3.27Å
652S85.3Confident89.7Confident112 Ų11251.7 Ų51.778%0.78329%0.287SS*.G310 helixtrans-73-17.5177.1-590000113.8S650S650-S652 PolarHBondContact O-N 3.38Å; S650-S652 PolarHBondContact OG-N 3.25Å
653D84.3Confident89.3Confident80 Ų8053.8 Ų53.843%0.42830%0.295SS..G310 helixtrans-82.2-19.4174.7-56.8-39.3000112.2W648 K649 S650 V651W648-D653 HydrophobicContact CB-CB 4.02Å; W648-D653 HydrophobicContact CG-CB 4.09Å; W648-D653 PolarHBondContact NE1-O 3.19Å; K649-D653 WeakPolarHBondContact CA-OD2 3.45Å; K649-D653 WeakPolarHBondContact CB-OD2 3.48Å; K649-D653 PolarHBondContact N-OD2 2.96Å; S650-D653 PolarHBondContact N-OD2 3.22Å; S650-D653 WeakPolarHBondContact O-CB 3.4Å; S650-D653 PolarHBondContact O-N 3.36Å; S650-D653 VanDerWaalsContact O-N 3.13Å; S650-D653 PolarHBondContact OG-OD2 2.98Å; V651-D653 VanDerWaalsContact C-N 3.25Å; V651-D653 PolarHBondContact O-N 2.85Å
654A76.7Confident88.8Confident52 Ų5258.7 Ų58.743%0.4332%0.322SS..  trans-84.20175.300000110.5L272 L278 W648 V651L272-A654 HydrophobicContact CD1-CB 3.84Å; L278-A654 HydrophobicContact CD1-CB 4.09Å; W648-A654 HydrophobicContact CD2-CB 3.74Å; W648-A654 HydrophobicContact CE3-CB 3.52Å; W648-A654 HydrophobicContact CG-CB 4.48Å; W648-A654 HydrophobicContact CH2-CB 3.83Å; W648-A654 HydrophobicContact CZ2-CB 4.02Å; W648-A654 HydrophobicContact CZ3-CB 3.58Å; V651-A654 PolarHBondContact O-N 3.27Å

Retrieved 654 of 654 residues in 683.1 ms (Link to these results)

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