A0A096NES2_PAPAN Loading...

Serine/threonine-protein kinase RIO2

AlphaFold DB , UniProt , Accession A0A096NES2, Species PAPAN (Papio anubis, Olive baboon), Gene RIOK2, Length 552 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
1M48.9Very low74.1Confident161 Ų16194.3 Ų94.379%0.79348%0.478SS*.  0127.50-124.4166179.200107.4N77M1-N77 HydrophobicContact CE-CB 4.06Å; M1-N77 WeakPolarHBondContact CE-ND2 3.22Å
2G55.4Low75.3Confident70 Ų7088.2 Ų88.272%0.72245%0.447SS*.  trans-84.4155.5-169.500000113.8
3K67.1Low76.4Confident170 Ų17085.6 Ų85.674%0.73944%0.442SS*.  trans-51.1146169.4-65.6-175.3175.3-177.10110.6N5K3-N5 PolarHBondContact O-N 3.47Å
4V70.2Confident77.3Confident19 Ų1995 Ų9512%0.11547%0.469CS..  trans-61.3111.4172.3-177.10000108.3V6 D81 L85 Y110 L124V4-V6 HydrophobicContact CG1-CG2 3.93Å; V4-D81 HydrophobicContact CG1-CB 4.34Å; V4-D81 HydrophobicContact CG2-CB 4.5Å; V4-D81 WeakPolarHBondContact CG2-OD2 3.26Å; V4-L85 HydrophobicContact CG1-CD1 4.36Å; V4-Y110 HydrophobicContact CB-CE1 4.41Å; V4-Y110 HydrophobicContact CB-CE2 4.38Å; V4-Y110 HydrophobicContact CG2-CE2 3.92Å; V4-Y110 WeakPolarHBondContact CG2-OH 3.46Å; V4-Y110 PolarHBondContact N-OH 3.11Å; V4-Y110 VanDerWaalsContact N-OH 3.16Å; V4-L124 HydrophobicContact CG2-CD1 3.9Å
5N77.8Confident78.2Confident105 Ų10593.1 Ų93.156%0.56146%0.462SS*.  trans-88.8107.6174.2-177-25.2000107.6K3 A7 Y82K3-N5 PolarHBondContact O-N 3.47Å; N5-A7 VanDerWaalsContact OD1-CB 3.3Å; N5-A7 WeakPolarHBondContact OD1-CB 3.42Å; N5-A7 PolarHBondContact OD1-N 3.4Å; N5-Y82 WeakPolarHBondContact O-CE2 3.4Å; N5-Y82 PolarHBondContact O-OH 3.19Å
6V79.8Confident79.1Confident39 Ų3988 Ų8824%0.23644%0.437CS..  trans-89.2-10.7-177.1-164.80000112V4 K8 L9 L85 V97V4-V6 HydrophobicContact CG1-CG2 3.93Å; V6-K8 VanDerWaalsContact C-N 3.25Å; V6-K8 PolarHBondContact O-N 3.39Å; V6-K8 VanDerWaalsContact O-N 3.13Å; V6-L9 HydrophobicContact CG1-CB 4.11Å; V6-L9 HydrophobicContact CG1-CD1 4.46Å; V6-L9 WeakPolarHBondContact O-CB 3.4Å; V6-L9 PolarHBondContact O-N 3.13Å; V6-L85 HydrophobicContact CG1-CD1 4.48Å; V6-L85 HydrophobicContact CG2-CD1 4.47Å; V6-V97 HydrophobicContact CG1-CB 4.38Å; V6-V97 HydrophobicContact CG1-CG2 4.04Å; V6-V97 HydrophobicContact CG2-CB 4.02Å; V6-V97 HydrophobicContact CG2-CG1 4.02Å; V6-V97 HydrophobicContact CG2-CG2 4.19Å
7A80.8Confident79.9Confident49 Ų4983.7 Ų83.741%0.40542%0.415SS..THydrogen-bonded Turntrans-59.6-34.7-171.200000113.3N5 Y11N5-A7 VanDerWaalsContact OD1-CB 3.3Å; N5-A7 WeakPolarHBondContact OD1-CB 3.42Å; N5-A7 PolarHBondContact OD1-N 3.4Å; A7-Y11 WeakPolarHBondContact O-CD2 3.49Å; A7-Y11 WeakPolarHBondContact O-CE2 3.35Å
8K81Confident80.5Confident47 Ų4784.9 Ų84.920%0.20441%0.414CS..THydrogen-bonded Turntrans-77.7-21.8180-175.963.7-176.1-173.10112.7V6 R10 Y11 M12 E55 H59V6-K8 VanDerWaalsContact C-N 3.25Å; V6-K8 PolarHBondContact O-N 3.39Å; V6-K8 VanDerWaalsContact O-N 3.13Å; K8-R10 PolarHBondContact O-N 3.34Å; K8-R10 VanDerWaalsContact O-N 3.14Å; K8-Y11 PolarHBondContact O-N 3.49Å; K8-M12 HydrophobicContact CG-CG 4.32Å; K8-M12 WeakPolarHBondContact O-CG 3.44Å; K8-M12 PolarHBondContact O-N 3.04Å; K8-E55 IonicContact NZ-OE1 3.61Å; K8-E55 PolarHBondContact NZ-OE1 3.05Å; K8-H59 VanDerWaalsContact CE-NE2 3.3Å; K8-H59 WeakPolarHBondContact CE-NE2 3.43Å
9L83.7Confident81.2Confident27 Ų2780.5 Ų80.514%0.14139%0.392CS..G310 helixtrans-56.6-33.1-179.9-165.4140.4000111.9V6 Y11 F17 Y82 L85V6-L9 HydrophobicContact CG1-CB 4.11Å; V6-L9 HydrophobicContact CG1-CD1 4.46Å; V6-L9 WeakPolarHBondContact O-CB 3.4Å; V6-L9 PolarHBondContact O-N 3.13Å; L9-Y11 VanDerWaalsContact C-N 3.32Å; L9-Y11 PolarHBondContact O-N 2.98Å; L9-F17 HydrophobicContact CG-CZ 4.32Å; L9-Y82 HydrophobicContact CB-CD1 4.2Å; L9-Y82 HydrophobicContact CB-CE1 3.8Å; L9-Y82 HydrophobicContact CD1-CD1 3.94Å; L9-Y82 HydrophobicContact CD1-CE1 4.31Å; L9-Y82 HydrophobicContact CD1-CG 4.1Å; L9-Y82 HydrophobicContact CG-CD1 4.23Å; L9-Y82 HydrophobicContact CG-CE1 4.34Å; L9-L85 HydrophobicContact CD1-CB 3.8Å; L9-L85 HydrophobicContact CD1-CD1 4.14Å
10R83.4Confident81.8Confident189 Ų18976.5 Ų76.571%0.71337%0.373SS*.G310 helixtrans-65.1-29.2175.6-63.5-171.8-66.1-161.90.5114.5K8K8-R10 PolarHBondContact O-N 3.34Å; K8-R10 VanDerWaalsContact O-N 3.14Å
11Y86.8Confident82.4Confident161 Ų16175.2 Ų75.263%0.63137%0.369SS*.G310 helixtrans-104.44.7-174.3-53.9-76.8000113.1A7 K8 L9A7-Y11 WeakPolarHBondContact O-CD2 3.49Å; A7-Y11 WeakPolarHBondContact O-CE2 3.35Å; K8-Y11 PolarHBondContact O-N 3.49Å; L9-Y11 VanDerWaalsContact C-N 3.32Å; L9-Y11 PolarHBondContact O-N 2.98Å
12M88.5Confident84.5Confident21 Ų2167.6 Ų67.610%0.10333%0.332CS..  trans-81.5134.2177.2-72.5-171.771.500111K8 D16 F17 L20 L56 L61 Y82K8-M12 HydrophobicContact CG-CG 4.32Å; K8-M12 WeakPolarHBondContact O-CG 3.44Å; K8-M12 PolarHBondContact O-N 3.04Å; M12-D16 HydrophobicContact CB-CB 4.41Å; M12-D16 HydrophobicContact CE-CB 3.44Å; M12-D16 VanDerWaalsContact CE-CB 3.44Å; M12-F17 HydrophobicContact CB-CD2 4.34Å; M12-F17 HydrophobicContact CB-CE2 3.58Å; M12-F17 HydrophobicContact CB-CZ 3.96Å; M12-F17 HydrophobicContact SD-CZ 4.28Å; M12-L20 HydrophobicContact CE-CD1 3.78Å; M12-L56 HydrophobicContact CE-CD2 3.54Å; M12-L61 HydrophobicContact CE-CD1 3.77Å; M12-L61 HydrophobicContact SD-CD1 3.73Å; M12-Y82 HydrophobicContact SD-CD1 3.47Å; M12-Y82 WeakPolarHBondContact SD-CD1 3.25Å; M12-Y82 HydrophobicContact SD-CE1 3.57Å; M12-Y82 VanDerWaalsContact SD-CE1 3.57Å
13S89.7Confident86.3Confident55 Ų5564.3 Ų64.339%0.38530%0.298SS..  trans-78.7164.2178.273.10000111.7D15 D16 F17S13-D15 PolarHBondContact O-N 3.29Å; S13-D15 PolarHBondContact OG-N 3.44Å; S13-D16 WeakPolarHBondContact CB-OD2 3.31Å; S13-D16 PolarHBondContact N-OD2 3.14Å; S13-D16 PolarHBondContact O-N 3.21Å; S13-D16 PolarHBondContact OG-N 3.42Å; S13-D16 PolarHBondContact OG-OD1 3.44Å; S13-D16 PolarHBondContact OG-OD2 3.4Å; S13-F17 WeakPolarHBondContact O-CD2 3.41Å; S13-F17 PolarHBondContact O-N 3.49Å
14R89.4Confident87.4Confident217 Ų21756.7 Ų56.782%0.81927%0.265SS*.Hα-helixtrans-59.2-33.2173.5-69.7-175.4177.2-170-1.6112.2R18R14-R18 WeakPolarHBondContact O-CG 3.4Å; R14-R18 PolarHBondContact O-N 3.32Å; R14-R18 VanDerWaalsContact O-N 3.12Å
15D91.1Very high88.3Confident67 Ų6759.4 Ų59.436%0.35828%0.278SS..Hα-helixtrans-72.6-30.8179.9-72.4-23000112S13 R18 V19 L44 I52S13-D15 PolarHBondContact O-N 3.29Å; S13-D15 PolarHBondContact OG-N 3.44Å; D15-R18 PolarHBondContact O-N 2.92Å; D15-R18 IonicContact OD1-CZ 3.97Å; D15-R18 IonicContact OD1-NH1 3.11Å; D15-R18 PolarHBondContact OD1-NH1 3.15Å; D15-R18 VanDerWaalsContact OD1-NH1 3.11Å; D15-V19 WeakPolarHBondContact O-CG2 3.29Å; D15-V19 PolarHBondContact O-N 3.01Å; D15-L44 HydrophobicContact CB-CD2 3.96Å; D15-L44 WeakPolarHBondContact OD1-CD2 3.45Å; D15-I52 HydrophobicContact CB-CD1 3.81Å
16D92.2Very high88.8Confident11 Ų1154.6 Ų54.66%0.05925%0.253CS..Hα-helixtrans-63.1-44.7174.7-55.7-39.6000111.4M12 S13 R18 V19 L20 I52 L56M12-D16 HydrophobicContact CB-CB 4.41Å; M12-D16 HydrophobicContact CE-CB 3.44Å; M12-D16 VanDerWaalsContact CE-CB 3.44Å; S13-D16 WeakPolarHBondContact CB-OD2 3.31Å; S13-D16 PolarHBondContact N-OD2 3.14Å; S13-D16 PolarHBondContact O-N 3.21Å; S13-D16 PolarHBondContact OG-N 3.42Å; S13-D16 PolarHBondContact OG-OD1 3.44Å; S13-D16 PolarHBondContact OG-OD2 3.4Å; D16-R18 VanDerWaalsContact C-N 3.35Å; D16-R18 PolarHBondContact O-N 3.25Å; D16-V19 PolarHBondContact O-N 3.29Å; D16-L20 PolarHBondContact O-N 3.24Å; D16-I52 HydrophobicContact CB-CG2 4.4Å; D16-I52 VanDerWaalsContact OD1-CG2 3.27Å; D16-I52 WeakPolarHBondContact OD1-CG2 3.33Å; D16-L56 HydrophobicContact CB-CD2 4.38Å
17F92.5Very high89.1Confident15 Ų1555 Ų557%0.06625%0.252CS..Hα-helixtrans-66.7-34.8175.4-72.2-71.8000112.6L9 M12 S13 V19 L20 T21 K86L9-F17 HydrophobicContact CG-CZ 4.32Å; M12-F17 HydrophobicContact CB-CD2 4.34Å; M12-F17 HydrophobicContact CB-CE2 3.58Å; M12-F17 HydrophobicContact CB-CZ 3.96Å; M12-F17 HydrophobicContact SD-CZ 4.28Å; S13-F17 WeakPolarHBondContact O-CD2 3.41Å; S13-F17 PolarHBondContact O-N 3.49Å; F17-V19 VanDerWaalsContact C-N 3.35Å; F17-L20 HydrophobicContact CD1-CD1 4.49Å; F17-L20 PolarHBondContact O-N 3.11Å; F17-T21 WeakPolarHBondContact O-CB 3.34Å; F17-T21 PolarHBondContact O-N 2.91Å; F17-T21 PolarHBondContact O-OG1 3.44Å; F17-K86 HydrophobicContact CD1-CB 3.84Å; F17-K86 HydrophobicContact CD1-CD 4.34Å; F17-K86 HydrophobicContact CD1-CG 3.65Å; F17-K86 HydrophobicContact CD2-CD 4.17Å; F17-K86 HydrophobicContact CD2-CG 4.22Å; F17-K86 HydrophobicContact CE1-CB 3.48Å; F17-K86 VanDerWaalsContact CE1-CB 3.48Å; F17-K86 HydrophobicContact CE1-CD 4Å; F17-K86 HydrophobicContact CE1-CG 3.61Å; F17-K86 HydrophobicContact CE2-CD 3.81Å; F17-K86 HydrophobicContact CE2-CG 4.19Å; F17-K86 HydrophobicContact CG-CD 4.42Å; F17-K86 HydrophobicContact CG-CG 3.97Å; F17-K86 HydrophobicContact CZ-CB 4.02Å; F17-K86 HydrophobicContact CZ-CD 3.71Å; F17-K86 HydrophobicContact CZ-CG 3.89Å
18R91.6Very high89.2Confident106 Ų10656 Ų5640%0.425%0.248SC..Hα-helixtrans-63.5-40.6173.3-73.5172.167-171.75.8111.9R14 D15 D16 A22 A42 S43R14-R18 WeakPolarHBondContact O-CG 3.4Å; R14-R18 PolarHBondContact O-N 3.32Å; R14-R18 VanDerWaalsContact O-N 3.12Å; D15-R18 PolarHBondContact O-N 2.92Å; D15-R18 IonicContact OD1-CZ 3.97Å; D15-R18 IonicContact OD1-NH1 3.11Å; D15-R18 PolarHBondContact OD1-NH1 3.15Å; D15-R18 VanDerWaalsContact OD1-NH1 3.11Å; D16-R18 VanDerWaalsContact C-N 3.35Å; D16-R18 PolarHBondContact O-N 3.25Å; R18-A22 WeakPolarHBondContact O-CB 3.43Å; R18-A22 PolarHBondContact O-N 3.43Å; R18-A42 PolarHBondContact NH2-O 2.95Å; R18-S43 PolarHBondContact NH2-O 3.02Å; R18-S43 VanDerWaalsContact NH2-O 3.12Å
19V93.3Very high89.2Confident0 Ų060.2 Ų60.20%027%0.273CS..Hα-helixtrans-67.3-44.8175.6174.50000111D15 D16 F17 T21 A22 V23 I38 A42 L44 I52 L53 L56D15-V19 WeakPolarHBondContact O-CG2 3.29Å; D15-V19 PolarHBondContact O-N 3.01Å; D16-V19 PolarHBondContact O-N 3.29Å; F17-V19 VanDerWaalsContact C-N 3.35Å; V19-T21 VanDerWaalsContact C-N 3.35Å; V19-T21 PolarHBondContact O-N 3.2Å; V19-A22 WeakPolarHBondContact O-CB 3.46Å; V19-A22 PolarHBondContact O-N 2.95Å; V19-A22 VanDerWaalsContact O-N 3.17Å; V19-V23 WeakPolarHBondContact O-CG2 3.3Å; V19-V23 PolarHBondContact O-N 3.43Å; V19-I38 HydrophobicContact CG1-CG2 3.93Å; V19-A42 HydrophobicContact CG2-CB 4.48Å; V19-L44 HydrophobicContact CG2-CD1 3.55Å; V19-I52 HydrophobicContact CB-CG2 3.89Å; V19-I52 HydrophobicContact CG1-CG2 4.12Å; V19-I52 HydrophobicContact CG2-CB 4.29Å; V19-I52 HydrophobicContact CG2-CD1 4.15Å; V19-I52 HydrophobicContact CG2-CG2 3.79Å; V19-L53 HydrophobicContact CG1-CD2 3.63Å; V19-L53 HydrophobicContact CG1-CG 4.06Å; V19-L56 HydrophobicContact CB-CD1 4.19Å; V19-L56 HydrophobicContact CG1-CD1 3.75Å
20L93.8Very high89.2Confident0 Ų063.2 Ų63.20%029%0.286CS..Hα-helixtrans-59.7-44.1176.3-76174.1000112.3M12 D16 F17 A22 V23 E24 L56 L61 I62 L75 L83M12-L20 HydrophobicContact CE-CD1 3.78Å; D16-L20 PolarHBondContact O-N 3.24Å; F17-L20 HydrophobicContact CD1-CD1 4.49Å; F17-L20 PolarHBondContact O-N 3.11Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.44Å; L20-V23 WeakPolarHBondContact O-CB 3.39Å; L20-V23 PolarHBondContact O-N 2.92Å; L20-E24 PolarHBondContact O-N 3.37Å; L20-L56 HydrophobicContact CD1-CD2 4.14Å; L20-L56 HydrophobicContact CD2-CD1 3.92Å; L20-L56 HydrophobicContact CD2-CD2 4.16Å; L20-L56 HydrophobicContact CG-CD1 3.94Å; L20-L56 HydrophobicContact CG-CD2 4.02Å; L20-L61 HydrophobicContact CD1-CD1 4.4Å; L20-L61 HydrophobicContact CD2-CB 4.19Å; L20-I62 HydrophobicContact CD2-CG2 3.63Å; L20-L75 HydrophobicContact CD2-CD1 3.86Å; L20-L83 HydrophobicContact CB-CD1 4.24Å; L20-L83 HydrophobicContact CB-CD2 3.78Å; L20-L83 HydrophobicContact CB-CG 4.11Å
21T93.4Very high89.1Confident50 Ų5061 Ų6131%0.30728%0.284SS..Hα-helixtrans-63.6-38.4176.3-50.50000110.9F17 V19 V23 E24 M25F17-T21 WeakPolarHBondContact O-CB 3.34Å; F17-T21 PolarHBondContact O-N 2.91Å; F17-T21 PolarHBondContact O-OG1 3.44Å; V19-T21 VanDerWaalsContact C-N 3.35Å; V19-T21 PolarHBondContact O-N 3.2Å; T21-V23 VanDerWaalsContact C-N 3.33Å; T21-V23 PolarHBondContact O-N 3.38Å; T21-E24 PolarHBondContact O-N 2.97Å; T21-M25 HydrophobicContact CG2-SD 4.49Å; T21-M25 VanDerWaalsContact O-CG 3.32Å; T21-M25 WeakPolarHBondContact O-CG 3.46Å; T21-M25 PolarHBondContact O-N 2.97Å
22A92.7Very high89.2Confident2 Ų254.1 Ų54.12%0.01726%0.258CS..Hα-helixtrans-64.6-35.4175.400000113R18 V19 L20 G26 I38 I41 A42R18-A22 WeakPolarHBondContact O-CB 3.43Å; R18-A22 PolarHBondContact O-N 3.43Å; V19-A22 WeakPolarHBondContact O-CB 3.46Å; V19-A22 PolarHBondContact O-N 2.95Å; V19-A22 VanDerWaalsContact O-N 3.17Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.44Å; A22-G26 PolarHBondContact O-N 3.22Å; A22-I38 HydrophobicContact CB-CG2 4.05Å; A22-I41 HydrophobicContact CB-CB 3.89Å; A22-I41 HydrophobicContact CB-CG2 3.71Å; A22-A42 HydrophobicContact CB-CB 3.87Å
23V92.9Very high89.2Confident0 Ų053.1 Ų53.10%025%0.253CS..Hα-helixtrans-65.5-47.7172.2176.30000110.2V19 L20 T21 M25 G26 M27 I38 L75V19-V23 WeakPolarHBondContact O-CG2 3.3Å; V19-V23 PolarHBondContact O-N 3.43Å; L20-V23 WeakPolarHBondContact O-CB 3.39Å; L20-V23 PolarHBondContact O-N 2.92Å; T21-V23 VanDerWaalsContact C-N 3.33Å; T21-V23 PolarHBondContact O-N 3.38Å; V23-M25 PolarHBondContact O-N 3.23Å; V23-G26 PolarHBondContact O-N 3.5Å; V23-G26 VanDerWaalsContact O-N 3.15Å; V23-M27 HydrophobicContact CG1-CG 4.43Å; V23-M27 HydrophobicContact CG1-SD 4.24Å; V23-M27 WeakPolarHBondContact O-CG 3.45Å; V23-M27 PolarHBondContact O-N 3.03Å; V23-I38 HydrophobicContact CG2-CD1 3.67Å; V23-I38 HydrophobicContact CG2-CG1 3.97Å; V23-I38 HydrophobicContact CG2-CG2 4.18Å; V23-L75 HydrophobicContact CG1-CB 4.22Å
24E91.4Very high89.2Confident10 Ų1051.8 Ų51.85%0.04724%0.242CC..Hα-helixtrans-57.3-46.6177-177.8-172-166.600112.1L20 T21 G26 M27 L75 L83 R183 Y317L20-E24 PolarHBondContact O-N 3.37Å; T21-E24 PolarHBondContact O-N 2.97Å; E24-G26 VanDerWaalsContact C-N 3.31Å; E24-G26 PolarHBondContact O-N 3.03Å; E24-M27 WeakPolarHBondContact O-CB 3.32Å; E24-M27 PolarHBondContact O-N 3.49Å; E24-M27 VanDerWaalsContact O-N 3.12Å; E24-L75 HydrophobicContact CB-CD2 4.4Å; E24-L83 HydrophobicContact CB-CD1 4.14Å; E24-R183 VanDerWaalsContact CD-NE 3.32Å; E24-R183 IonicContact OE1-CZ 3.02Å; E24-R183 IonicContact OE1-NE 3.65Å; E24-R183 PolarHBondContact OE1-NE 2.96Å; E24-R183 IonicContact OE1-NH2 2.9Å; E24-R183 IonicContact OE2-CZ 3.87Å; E24-R183 IonicContact OE2-NE 3.35Å; E24-R183 PolarHBondContact OE2-NE 2.82Å; E24-R183 VanDerWaalsContact OE2-NE 3.15Å; E24-R183 IonicContact OE2-NH2 2.85Å; E24-R183 PolarHBondContact OE2-NH2 2.87Å; E24-Y317 HydrophobicContact CG-CE1 4.47Å; E24-Y317 PolarHBondContact OE1-OH 3.18Å
25M88.9Confident89.1Confident77 Ų7743 Ų4338%0.37921%0.214SC..Hα-helixtrans-60.9-41176.1-70.7178.57500111.9T21 V23 M27 K28 I41 Y317T21-M25 HydrophobicContact CG2-SD 4.49Å; T21-M25 VanDerWaalsContact O-CG 3.32Å; T21-M25 WeakPolarHBondContact O-CG 3.46Å; T21-M25 PolarHBondContact O-N 2.97Å; V23-M25 PolarHBondContact O-N 3.23Å; M25-M27 VanDerWaalsContact C-N 3.27Å; M25-M27 PolarHBondContact O-N 2.97Å; M25-K28 PolarHBondContact O-N 2.79Å; M25-I41 HydrophobicContact CB-CG2 4.38Å; M25-I41 HydrophobicContact CE-CG2 4.27Å; M25-I41 HydrophobicContact SD-CG2 3.76Å; M25-Y317 HydrophobicContact CG-CD1 4.34Å
26G87.9Confident88.8Confident4 Ų440.3 Ų40.34%0.04120%0.201CC..Hα-helixtrans-64-32.9175.400000112.9A22 V23 E24 K28 N29 H30 V33A22-G26 PolarHBondContact O-N 3.22Å; V23-G26 PolarHBondContact O-N 3.5Å; V23-G26 VanDerWaalsContact O-N 3.15Å; E24-G26 VanDerWaalsContact C-N 3.31Å; E24-G26 PolarHBondContact O-N 3.03Å; G26-K28 PolarHBondContact O-N 3.43Å; G26-N29 PolarHBondContact O-N 2.97Å; G26-H30 PolarHBondContact O-N 3.34Å; G26-V33 VanDerWaalsContact C-CG2 3.47Å
27M87.1Confident88.6Confident46 Ų4641.3 Ų41.323%0.22721%0.206CC..THydrogen-bonded Turntrans-70.3-11.4-179.3-76.6-175.972.500114.7V23 E24 M25 N29 H30 V33 R74 L75 L151V23-M27 HydrophobicContact CG1-CG 4.43Å; V23-M27 HydrophobicContact CG1-SD 4.24Å; V23-M27 WeakPolarHBondContact O-CG 3.45Å; V23-M27 PolarHBondContact O-N 3.03Å; E24-M27 WeakPolarHBondContact O-CB 3.32Å; E24-M27 PolarHBondContact O-N 3.49Å; E24-M27 VanDerWaalsContact O-N 3.12Å; M25-M27 VanDerWaalsContact C-N 3.27Å; M25-M27 PolarHBondContact O-N 2.97Å; M27-N29 VanDerWaalsContact C-N 3.3Å; M27-H30 VanDerWaalsContact CA-O 3.28Å; M27-H30 WeakPolarHBondContact CA-O 3.34Å; M27-V33 HydrophobicContact CB-CG2 4.45Å; M27-V33 HydrophobicContact CG-CG2 3.64Å; M27-R74 HydrophobicContact CE-CB 4.49Å; M27-L75 HydrophobicContact CE-CB 4.3Å; M27-L75 HydrophobicContact SD-CB 3.29Å; M27-L75 WeakPolarHBondContact SD-CB 3.27Å; M27-L75 PolarHBondContact SD-N 3.27Å; M27-L151 HydrophobicContact CE-CD1 4.19Å
28K81.8Confident88.4Confident72 Ų7240.6 Ų40.631%0.31320%0.203SC..THydrogen-bonded Turntrans-64-37.6172.8-73.3-166.5158.5-156.80112.6M25 G26 D313 Y317M25-K28 PolarHBondContact O-N 2.79Å; G26-K28 PolarHBondContact O-N 3.43Å; K28-D313 IonicContact NZ-OD1 3.12Å; K28-Y317 HydrophobicContact CD-CD1 4.06Å; K28-Y317 HydrophobicContact CD-CE1 4.36Å; K28-Y317 HydrophobicContact CD-CG 4.24Å; K28-Y317 VanDerWaalsContact CE-CE1 3.44Å
29N82Confident88.3Confident135 Ų13536.6 Ų36.672%0.72219%0.192SC*.THydrogen-bonded Turntrans-114.4-18.3-171.6-60.3-11.4000112.4G26 M27G26-N29 PolarHBondContact O-N 2.97Å; M27-N29 VanDerWaalsContact C-N 3.3Å
30H82.4Confident87.9Confident89 Ų8937 Ų3741%0.41220%0.195SC..  trans-130.2132.6-177.2-58.2-76.8000111.3G26 M27 I32G26-H30 PolarHBondContact O-N 3.34Å; M27-H30 VanDerWaalsContact CA-O 3.28Å; M27-H30 WeakPolarHBondContact CA-O 3.34Å; H30-I32 VanDerWaalsContact C-N 3.34Å
31E81.8Confident87.6Confident143 Ų14339 Ų3967%0.66821%0.205SC*.SBendtrans-64.2-41.1173.5-175.1175.9-171.400111.9
32I88Confident87.3Confident17 Ų1737 Ų379%0.08719%0.194CC..SBendtrans-120.5123.7176-58.9171.7000108.1H30 E65 V70H30-I32 VanDerWaalsContact C-N 3.34Å; I32-E65 HydrophobicContact CD1-CB 4.05Å; I32-V70 HydrophobicContact CB-CG1 4Å; I32-V70 HydrophobicContact CG2-CG1 4.1Å
33V89.4Confident86.8Confident0 Ų039.6 Ų39.60%021%0.212CC..BIsolated β-bridgetrans-96.3119.1-173.6-168.20000110.6G26 M27 L37 I38 G72 Y73G26-V33 VanDerWaalsContact C-CG2 3.47Å; M27-V33 HydrophobicContact CB-CG2 4.45Å; M27-V33 HydrophobicContact CG-CG2 3.64Å; V33-L37 HydrophobicContact CG1-CB 4.41Å; V33-L37 HydrophobicContact CG1-CD2 4Å; V33-L37 HydrophobicContact CG1-CG 4.32Å; V33-I38 HydrophobicContact CB-CD1 4.32Å; V33-I38 HydrophobicContact CB-CG1 4.26Å; V33-I38 HydrophobicContact CG1-CD1 4.18Å; V33-I38 HydrophobicContact CG1-CG1 3.59Å; V33-G72 CarbonylContact O-C 3.22Å; V33-G72 WeakPolarHBondContact O-CA 3.44Å; V33-Y73 WeakPolarHBondContact CB-O 3.49Å; V33-Y73 PolarHBondContact N-O 3.13Å; V33-Y73 PolarHBondContact O-N 3.38Å
34P89.1Confident86.2Confident26 Ų2641 Ų4117%0.16922%0.22CC..  trans-69.7149-179.125.5-31.1000112.2S36 L37 I38 E525P34-S36 PolarHBondContact O-N 3.21Å; P34-L37 HydrophobicContact CG-CB 3.78Å; P34-L37 HydrophobicContact CG-CD2 4.46Å; P34-L37 PolarHBondContact O-N 2.99Å; P34-L37 VanDerWaalsContact O-N 3.1Å; P34-I38 WeakPolarHBondContact O-CG1 3.23Å; P34-I38 PolarHBondContact O-N 3.07Å; P34-I38 VanDerWaalsContact O-N 3.11Å; P34-E525 WeakPolarHBondContact CB-OE1 3.26Å
35S87.6Confident85.1Confident32 Ų3250.2 Ų50.222%0.22426%0.259CS..Hα-helixtrans-58.8-34.3-178.766.60000113.2I38 A39S35-I38 PolarHBondContact O-N 3.41Å; S35-A39 WeakPolarHBondContact O-CB 3.38Å; S35-A39 PolarHBondContact O-N 2.92Å
36S85.4Confident83.7Confident11 Ų1154.8 Ų54.88%0.07728%0.279CS..Hα-helixtrans-61.9-43.7176.760.90000111.6P34 S40 E525P34-S36 PolarHBondContact O-N 3.21Å; S36-S40 PolarHBondContact O-N 3.04Å; S36-S40 VanDerWaalsContact O-N 3.13Å; S36-E525 VanDerWaalsContact CB-OE1 3.31Å; S36-E525 WeakPolarHBondContact CB-OE1 3.46Å; S36-E525 PolarHBondContact OG-OE1 3.06Å
37L86.9Confident82.7Confident32 Ų3257.9 Ų57.917%0.16831%0.311CS..Hα-helixtrans-67.5-46.8177.9-178.158.9000110.8V33 P34 A39 S40 I41V33-L37 HydrophobicContact CG1-CB 4.41Å; V33-L37 HydrophobicContact CG1-CD2 4Å; V33-L37 HydrophobicContact CG1-CG 4.32Å; P34-L37 HydrophobicContact CG-CB 3.78Å; P34-L37 HydrophobicContact CG-CD2 4.46Å; P34-L37 PolarHBondContact O-N 2.99Å; P34-L37 VanDerWaalsContact O-N 3.1Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 2.96Å; L37-S40 WeakPolarHBondContact O-CB 3.36Å; L37-S40 PolarHBondContact O-N 2.97Å; L37-S40 PolarHBondContact O-OG 3.47Å; L37-I41 HydrophobicContact CD1-CD1 3.88Å; L37-I41 HydrophobicContact CD1-CG1 4.13Å; L37-I41 HydrophobicContact CD2-CD1 4.48Å; L37-I41 HydrophobicContact CG-CD1 3.76Å; L37-I41 HydrophobicContact CG-CG1 4.42Å; L37-I41 WeakPolarHBondContact O-CG1 3.48Å; L37-I41 PolarHBondContact O-N 3.44Å
38I89.8Confident82.4Confident0 Ų057.2 Ų57.20%032%0.316CS..Hα-helixtrans-56.4-48.3178.3-62.2163.9000110.6V19 A22 V23 V33 P34 S35 S40 I41 A42 L53 Y73V19-I38 HydrophobicContact CG1-CG2 3.93Å; A22-I38 HydrophobicContact CB-CG2 4.05Å; V23-I38 HydrophobicContact CG2-CD1 3.67Å; V23-I38 HydrophobicContact CG2-CG1 3.97Å; V23-I38 HydrophobicContact CG2-CG2 4.18Å; V33-I38 HydrophobicContact CB-CD1 4.32Å; V33-I38 HydrophobicContact CB-CG1 4.26Å; V33-I38 HydrophobicContact CG1-CD1 4.18Å; V33-I38 HydrophobicContact CG1-CG1 3.59Å; P34-I38 WeakPolarHBondContact O-CG1 3.23Å; P34-I38 PolarHBondContact O-N 3.07Å; P34-I38 VanDerWaalsContact O-N 3.11Å; S35-I38 PolarHBondContact O-N 3.41Å; I38-S40 VanDerWaalsContact C-N 3.28Å; I38-S40 PolarHBondContact O-N 3.49Å; I38-I41 PolarHBondContact O-N 3.4Å; I38-A42 VanDerWaalsContact O-CB 3.26Å; I38-A42 WeakPolarHBondContact O-CB 3.47Å; I38-A42 PolarHBondContact O-N 3.38Å; I38-L53 HydrophobicContact CD1-CD2 4.13Å; I38-L53 HydrophobicContact CG2-CD2 4.42Å; I38-Y73 HydrophobicContact CD1-CD2 3.71Å; I38-Y73 HydrophobicContact CD1-CG 4.3Å
39A87.9Confident82.6Confident22 Ų2254.1 Ų54.118%0.18230%0.304CS..Hα-helixtrans-61.9-36.7178.200000112.3S35 L37 S43 C49 L521S35-A39 WeakPolarHBondContact O-CB 3.38Å; S35-A39 PolarHBondContact O-N 2.92Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 2.96Å; A39-S43 PolarHBondContact O-N 3.2Å; A39-S43 VanDerWaalsContact O-N 3.17Å; A39-C49 HydrophobicContact CB-CB 4.19Å; A39-L521 HydrophobicContact CB-CD1 3.85Å
40S85.4Confident82.8Confident8 Ų851.2 Ų51.26%0.05629%0.288CS..Hα-helixtrans-69.3-37.9177.683.50000113.2S36 L37 I38 S43 R518S36-S40 PolarHBondContact O-N 3.04Å; S36-S40 VanDerWaalsContact O-N 3.13Å; L37-S40 WeakPolarHBondContact O-CB 3.36Å; L37-S40 PolarHBondContact O-N 2.97Å; L37-S40 PolarHBondContact O-OG 3.47Å; I38-S40 VanDerWaalsContact C-N 3.28Å; I38-S40 PolarHBondContact O-N 3.49Å; S40-S43 PolarHBondContact O-OG 3.39Å; S40-R518 PolarHBondContact OG-NE 3.35Å
41I87.6Confident83.2Confident43 Ų4354 Ų5422%0.22130%0.299CS..Hα-helixtrans-73.4-51.1178.9-63.5167.6000109.3A22 M25 L37 I38 S43A22-I41 HydrophobicContact CB-CB 3.89Å; A22-I41 HydrophobicContact CB-CG2 3.71Å; M25-I41 HydrophobicContact CB-CG2 4.38Å; M25-I41 HydrophobicContact CE-CG2 4.27Å; M25-I41 HydrophobicContact SD-CG2 3.76Å; L37-I41 HydrophobicContact CD1-CD1 3.88Å; L37-I41 HydrophobicContact CD1-CG1 4.13Å; L37-I41 HydrophobicContact CD2-CD1 4.48Å; L37-I41 HydrophobicContact CG-CD1 3.76Å; L37-I41 HydrophobicContact CG-CG1 4.42Å; L37-I41 WeakPolarHBondContact O-CG1 3.48Å; L37-I41 PolarHBondContact O-N 3.44Å; I38-I41 PolarHBondContact O-N 3.4Å; I41-S43 PolarHBondContact O-N 3.24Å; I41-S43 VanDerWaalsContact O-N 3.09Å; I41-S43 PolarHBondContact O-OG 3.26Å
42A86.8Confident83.6Confident8 Ų848.2 Ų48.27%0.06627%0.272CS..Hα-helixtrans-61.2-24.3-178.500000112.8R18 V19 A22 I38 L44R18-A42 PolarHBondContact NH2-O 2.95Å; V19-A42 HydrophobicContact CG2-CB 4.48Å; A22-A42 HydrophobicContact CB-CB 3.87Å; I38-A42 VanDerWaalsContact O-CB 3.26Å; I38-A42 WeakPolarHBondContact O-CB 3.47Å; I38-A42 PolarHBondContact O-N 3.38Å; A42-L44 HydrophobicContact CB-CD1 4.29Å; A42-L44 HydrophobicContact CB-CG 4Å; A42-L44 PolarHBondContact O-N 3.43Å
43S82.9Confident83.8Confident56 Ų5647.4 Ų47.439%0.39227%0.268SS..THydrogen-bonded Turntrans50.244.2177.7-58.10000112R18 A39 S40 I41R18-S43 PolarHBondContact NH2-O 3.02Å; R18-S43 VanDerWaalsContact NH2-O 3.12Å; A39-S43 PolarHBondContact O-N 3.2Å; A39-S43 VanDerWaalsContact O-N 3.17Å; S40-S43 PolarHBondContact O-OG 3.39Å; I41-S43 PolarHBondContact O-N 3.24Å; I41-S43 VanDerWaalsContact O-N 3.09Å; I41-S43 PolarHBondContact O-OG 3.26Å
44L79.8Confident83.9Confident31 Ų3155.1 Ų55.116%0.16230%0.297CS..  trans-78.1152.3178.9-68.4175.4000111.3D15 V19 A42 C49 I52D15-L44 HydrophobicContact CB-CD2 3.96Å; D15-L44 WeakPolarHBondContact OD1-CD2 3.45Å; V19-L44 HydrophobicContact CG2-CD1 3.55Å; A42-L44 HydrophobicContact CB-CD1 4.29Å; A42-L44 HydrophobicContact CB-CG 4Å; A42-L44 PolarHBondContact O-N 3.43Å; L44-C49 HydrophobicContact CD1-CB 4.18Å; L44-I52 HydrophobicContact CD1-CD1 4.04Å
45K68.9Low84Confident202 Ų20257.3 Ų57.388%0.87831%0.305SS*.SBendtrans-63.2136.8171.1-67.8-177179.2-179.70108.7
46H58.8Low84.2Confident174 Ų17455.9 Ų55.981%0.80630%0.295SS*.THydrogen-bonded Turntrans-30.5124.4-162.1-99.542000116.8G48H46-G48 PolarHBondContact O-N 2.73Å
47G68Low84.5Confident68 Ų6857.7 Ų57.770%0.70131%0.306SS*.THydrogen-bonded Turntrans86.3-18.3159.200000117.8C49G47-C49 VanDerWaalsContact C-N 3.28Å; G47-C49 PolarHBondContact O-N 3.29Å
48G80.8Confident84.7Confident33 Ų3364.4 Ų64.434%0.3433%0.333SS..THydrogen-bonded Turntrans-66.5-21.8-175.700000115.7H46 N50 K51 I52H46-G48 PolarHBondContact O-N 2.73Å; G48-N50 VanDerWaalsContact C-N 3.34Å; G48-N50 PolarHBondContact O-N 2.76Å; G48-K51 PolarHBondContact O-N 3.12Å; G48-K51 VanDerWaalsContact O-N 3.15Å; G48-I52 PolarHBondContact O-N 3.26Å
49C85.6Confident84.7Confident7 Ų767.8 Ų67.85%0.04735%0.349CS..Hα-helixtrans-56.8-43.1-175.4-170.20000112.7A39 L44 G47 K51 I52 L53A39-C49 HydrophobicContact CB-CB 4.19Å; L44-C49 HydrophobicContact CD1-CB 4.18Å; G47-C49 VanDerWaalsContact C-N 3.28Å; G47-C49 PolarHBondContact O-N 3.29Å; C49-K51 VanDerWaalsContact C-N 3.3Å; C49-K51 PolarHBondContact O-N 3.21Å; C49-I52 PolarHBondContact O-N 3.43Å; C49-L53 WeakPolarHBondContact O-CB 3.31Å; C49-L53 VanDerWaalsContact O-CG 3.26Å; C49-L53 WeakPolarHBondContact O-CG 3.1Å; C49-L53 PolarHBondContact O-N 3.24Å
50N86.8Confident84.8Confident73 Ų7374.5 Ų74.539%0.3937%0.374SS..Hα-helixtrans-67.3-30.1-177.9-69.1-23.9000113.1G48 R54G48-N50 VanDerWaalsContact C-N 3.34Å; G48-N50 PolarHBondContact O-N 2.76Å; N50-R54 WeakPolarHBondContact O-CG 3.49Å; N50-R54 PolarHBondContact O-N 3.27Å
51K89.6Confident85Confident149 Ų14974.3 Ų74.365%0.64837%0.372SS*.Hα-helixtrans-68.7-47.2174.7-175.3-176.9176.1-175.10110G48 C49 R54 E55G48-K51 PolarHBondContact O-N 3.12Å; G48-K51 VanDerWaalsContact O-N 3.15Å; C49-K51 VanDerWaalsContact C-N 3.3Å; C49-K51 PolarHBondContact O-N 3.21Å; K51-R54 PolarHBondContact O-N 3.09Å; K51-E55 PolarHBondContact O-N 3.46Å; K51-E55 VanDerWaalsContact O-N 3.12Å
52I91.3Very high85.3Confident20 Ų2072.3 Ų72.310%0.10336%0.362CS..Hα-helixtrans-60.7-46.9177.4-65.8169.7000110.4D15 D16 V19 L44 G48 C49 R54 E55 L56D15-I52 HydrophobicContact CB-CD1 3.81Å; D16-I52 HydrophobicContact CB-CG2 4.4Å; D16-I52 VanDerWaalsContact OD1-CG2 3.27Å; D16-I52 WeakPolarHBondContact OD1-CG2 3.33Å; V19-I52 HydrophobicContact CB-CG2 3.89Å; V19-I52 HydrophobicContact CG1-CG2 4.12Å; V19-I52 HydrophobicContact CG2-CB 4.29Å; V19-I52 HydrophobicContact CG2-CD1 4.15Å; V19-I52 HydrophobicContact CG2-CG2 3.79Å; L44-I52 HydrophobicContact CD1-CD1 4.04Å; G48-I52 PolarHBondContact O-N 3.26Å; C49-I52 PolarHBondContact O-N 3.43Å; I52-R54 VanDerWaalsContact C-N 3.3Å; I52-R54 PolarHBondContact O-N 3Å; I52-E55 CarbonylContact O-C 3Å; I52-E55 WeakPolarHBondContact O-CA 3.36Å; I52-E55 WeakPolarHBondContact O-CB 3.4Å; I52-E55 PolarHBondContact O-N 3.19Å; I52-L56 HydrophobicContact CG2-CD1 3.79Å; I52-L56 HydrophobicContact CG2-CG 4.01Å; I52-L56 WeakPolarHBondContact O-CG 3.39Å; I52-L56 PolarHBondContact O-N 3.19Å
53L91.5Very high85.5Confident0 Ų072.9 Ų72.90%037%0.367CS..Hα-helixtrans-56.3-42.8177.8-72.8166000112.1V19 I38 C49 E55 L56 V57 I62 Y73V19-L53 HydrophobicContact CG1-CD2 3.63Å; V19-L53 HydrophobicContact CG1-CG 4.06Å; I38-L53 HydrophobicContact CD1-CD2 4.13Å; I38-L53 HydrophobicContact CG2-CD2 4.42Å; C49-L53 WeakPolarHBondContact O-CB 3.31Å; C49-L53 VanDerWaalsContact O-CG 3.26Å; C49-L53 WeakPolarHBondContact O-CG 3.1Å; C49-L53 PolarHBondContact O-N 3.24Å; L53-E55 VanDerWaalsContact C-N 3.35Å; L53-E55 PolarHBondContact O-N 3.33Å; L53-L56 PolarHBondContact O-N 2.83Å; L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 3.05Å; L53-I62 HydrophobicContact CB-CD1 4.33Å; L53-I62 HydrophobicContact CD2-CD1 3.44Å; L53-I62 VanDerWaalsContact CD2-CD1 3.44Å; L53-Y73 HydrophobicContact CB-CE1 4.13Å; L53-Y73 HydrophobicContact CB-CE2 4.23Å; L53-Y73 HydrophobicContact CD1-CD2 4.16Å; L53-Y73 HydrophobicContact CD1-CE2 3.62Å; L53-Y73 HydrophobicContact CD2-CD1 4.36Å; L53-Y73 HydrophobicContact CD2-CD2 3.96Å; L53-Y73 HydrophobicContact CD2-CE1 4.47Å; L53-Y73 HydrophobicContact CD2-CE2 4.08Å; L53-Y73 HydrophobicContact CD2-CG 4.1Å; L53-Y73 HydrophobicContact CG-CE2 4.19Å
54R90.6Very high85.9Confident162 Ų16275.3 Ų75.361%0.61137%0.367SS*.Hα-helixtrans-63.4-39.4174.6-74.3-174.9-68.7-106.43.8112.6N50 K51 I52 K58N50-R54 WeakPolarHBondContact O-CG 3.49Å; N50-R54 PolarHBondContact O-N 3.27Å; K51-R54 PolarHBondContact O-N 3.09Å; I52-R54 VanDerWaalsContact C-N 3.3Å; I52-R54 PolarHBondContact O-N 3Å; R54-K58 PolarHBondContact O-N 3.15Å; R54-K58 VanDerWaalsContact O-N 3.1Å
55E91.3Very high86.3Confident72 Ų7276.7 Ų76.734%0.33637%0.373SS..Hα-helixtrans-66.8-43.4176-174.4166.7177.400111.8K8 K51 I52 L53 V57 K58 H59K8-E55 IonicContact NZ-OE1 3.61Å; K8-E55 PolarHBondContact NZ-OE1 3.05Å; K51-E55 PolarHBondContact O-N 3.46Å; K51-E55 VanDerWaalsContact O-N 3.12Å; I52-E55 CarbonylContact O-C 3Å; I52-E55 WeakPolarHBondContact O-CA 3.36Å; I52-E55 WeakPolarHBondContact O-CB 3.4Å; I52-E55 PolarHBondContact O-N 3.19Å; L53-E55 VanDerWaalsContact C-N 3.35Å; L53-E55 PolarHBondContact O-N 3.33Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-V57 PolarHBondContact O-N 3.15Å; E55-K58 WeakPolarHBondContact O-CB 3.27Å; E55-K58 PolarHBondContact O-N 3.15Å; E55-K58 VanDerWaalsContact O-N 3.14Å; E55-H59 PolarHBondContact O-CD2 2.78Å; E55-H59 PolarHBondContact O-N 3.11Å
56L92.1Very high87Confident3 Ų374.4 Ų74.42%0.01636%0.359CS..Hα-helixtrans-62.3-38.7176.7-66.8176.4000112.2M12 D16 V19 L20 I52 L53 H59 K60 L61 I62M12-L56 HydrophobicContact CE-CD2 3.54Å; D16-L56 HydrophobicContact CB-CD2 4.38Å; V19-L56 HydrophobicContact CB-CD1 4.19Å; V19-L56 HydrophobicContact CG1-CD1 3.75Å; L20-L56 HydrophobicContact CD1-CD2 4.14Å; L20-L56 HydrophobicContact CD2-CD1 3.92Å; L20-L56 HydrophobicContact CD2-CD2 4.16Å; L20-L56 HydrophobicContact CG-CD1 3.94Å; L20-L56 HydrophobicContact CG-CD2 4.02Å; I52-L56 HydrophobicContact CG2-CD1 3.79Å; I52-L56 HydrophobicContact CG2-CG 4.01Å; I52-L56 WeakPolarHBondContact O-CG 3.39Å; I52-L56 PolarHBondContact O-N 3.19Å; L53-L56 PolarHBondContact O-N 2.83Å; L56-H59 PolarHBondContact O-N 3.09Å; L56-K60 PolarHBondContact O-N 3.37Å; L56-L61 HydrophobicContact CD2-CB 4.42Å; L56-L61 HydrophobicContact CD2-CD1 3.77Å; L56-L61 PolarHBondContact O-N 3.36Å; L56-I62 HydrophobicContact CB-CD1 3.63Å; L56-I62 HydrophobicContact CB-CG1 3.71Å; L56-I62 HydrophobicContact CD1-CD1 4.14Å
57V92.8Very high87.9Confident49 Ų4969.9 Ų69.930%0.29734%0.344SS..Hα-helixtrans-63.7-42.6173.21720000111.1L53 E55 H59 K60 I62 W64 Y73L53-V57 VanDerWaalsContact O-CG2 3.3Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 3.05Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-V57 PolarHBondContact O-N 3.15Å; V57-H59 PolarHBondContact O-N 3.17Å; V57-K60 WeakPolarHBondContact O-CA 3.43Å; V57-K60 PolarHBondContact O-N 3.24Å; V57-I62 HydrophobicContact CB-CG1 4.46Å; V57-I62 HydrophobicContact CG2-CD1 4Å; V57-I62 HydrophobicContact CG2-CG1 3.59Å; V57-W64 HydrophobicContact CG2-CB 4.33Å; V57-Y73 HydrophobicContact CG2-CD1 3.95Å; V57-Y73 HydrophobicContact CG2-CE1 3.73Å
58K90.6Very high88.1Confident172 Ų17276.7 Ų76.775%0.74835%0.354SS*.Hα-helixtrans-57.3-36.7178.1-174.6179.6179.9179.60111.8R54 E55 K60R54-K58 PolarHBondContact O-N 3.15Å; R54-K58 VanDerWaalsContact O-N 3.1Å; E55-K58 WeakPolarHBondContact O-CB 3.27Å; E55-K58 PolarHBondContact O-N 3.15Å; E55-K58 VanDerWaalsContact O-N 3.14Å; K58-K60 VanDerWaalsContact C-N 3.31Å
59H88.9Confident87.7Confident71 Ų7181.2 Ų81.233%0.32938%0.375SS..THydrogen-bonded Turntrans-86.95176.9-67.1-64.1000114.2K8 E55 L56 V57 L61K8-H59 VanDerWaalsContact CE-NE2 3.3Å; K8-H59 WeakPolarHBondContact CE-NE2 3.43Å; E55-H59 PolarHBondContact O-CD2 2.78Å; E55-H59 PolarHBondContact O-N 3.11Å; L56-H59 PolarHBondContact O-N 3.09Å; V57-H59 PolarHBondContact O-N 3.17Å; H59-L61 HydrophobicContact CB-CD1 4.25Å; H59-L61 HydrophobicContact CB-CG 4.01Å; H59-L61 PolarHBondContact O-N 3.24Å
60K90.1Very high87.3Confident164 Ų16484 Ų8471%0.71339%0.392SS*.THydrogen-bonded Turntrans58.125-178.3-53.1-179.9179.2179.70113.6L56 V57 K58 T76L56-K60 PolarHBondContact O-N 3.37Å; V57-K60 WeakPolarHBondContact O-CA 3.43Å; V57-K60 PolarHBondContact O-N 3.24Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K60-T76 WeakPolarHBondContact O-CB 3.23Å; K60-T76 WeakPolarHBondContact O-CG2 3.36Å; K60-T76 PolarHBondContact O-OG1 3.13Å
61L91.5Very high87.2Confident3 Ų383 Ų832%0.01639%0.385CS..SBendtrans-79.2-30.4175.4-59.9178.8000111.4M12 L20 L56 H59 T76 A78 G79 Y82M12-L61 HydrophobicContact CE-CD1 3.77Å; M12-L61 HydrophobicContact SD-CD1 3.73Å; L20-L61 HydrophobicContact CD1-CD1 4.4Å; L20-L61 HydrophobicContact CD2-CB 4.19Å; L56-L61 HydrophobicContact CD2-CB 4.42Å; L56-L61 HydrophobicContact CD2-CD1 3.77Å; L56-L61 PolarHBondContact O-N 3.36Å; H59-L61 HydrophobicContact CB-CD1 4.25Å; H59-L61 HydrophobicContact CB-CG 4.01Å; H59-L61 PolarHBondContact O-N 3.24Å; L61-T76 VanDerWaalsContact C-OG1 3.31Å; L61-T76 PolarHBondContact O-N 2.87Å; L61-T76 PolarHBondContact O-OG1 3.29Å; L61-A78 HydrophobicContact CD2-CB 4.28Å; L61-G79 WeakPolarHBondContact O-CA 3.48Å; L61-Y82 HydrophobicContact CD1-CD1 4.12Å; L61-Y82 HydrophobicContact CD1-CE1 4.25Å; L61-Y82 HydrophobicContact CD2-CD1 4.09Å; L61-Y82 HydrophobicContact CD2-CD2 3.82Å; L61-Y82 HydrophobicContact CD2-CE1 4.2Å; L61-Y82 HydrophobicContact CD2-CE2 3.96Å; L61-Y82 HydrophobicContact CD2-CG 3.88Å
62I93.4Very high87.2Confident1 Ų175.9 Ų75.91%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-128149.4169.465.3-177.5000109L20 L53 L56 V57 Y73 R74 L75L20-I62 HydrophobicContact CD2-CG2 3.63Å; L53-I62 HydrophobicContact CB-CD1 4.33Å; L53-I62 HydrophobicContact CD2-CD1 3.44Å; L53-I62 VanDerWaalsContact CD2-CD1 3.44Å; L56-I62 HydrophobicContact CB-CD1 3.63Å; L56-I62 HydrophobicContact CB-CG1 3.71Å; L56-I62 HydrophobicContact CD1-CD1 4.14Å; V57-I62 HydrophobicContact CB-CG1 4.46Å; V57-I62 HydrophobicContact CG2-CD1 4Å; V57-I62 HydrophobicContact CG2-CG1 3.59Å; I62-Y73 HydrophobicContact CD1-CD1 3.58Å; I62-Y73 HydrophobicContact CD1-CE1 4.16Å; I62-Y73 HydrophobicContact CD1-CG 4.05Å; I62-Y73 HydrophobicContact CG1-CD1 4.09Å; I62-R74 CarbonylContact C-O 3.58Å; I62-R74 VanDerWaalsContact CA-O 3.31Å; I62-R74 WeakPolarHBondContact CA-O 3.26Å; I62-R74 WeakPolarHBondContact CB-O 3.47Å; I62-L75 HydrophobicContact CG2-CD1 4.11Å
63A91.3Very high87.2Confident20 Ų2076 Ų7617%0.16535%0.353CS..EExtended strand (participates in β ladder)trans-104.6134.9172.200000108.9Y73 R74 T76A63-Y73 CarbonylContact O-C 3.54Å; A63-Y73 VanDerWaalsContact O-CA 3.29Å; A63-Y73 WeakPolarHBondContact O-CA 3.23Å; A63-R74 HydrophobicContact CB-CG 3.88Å; A63-R74 PolarHBondContact N-O 3.15Å; A63-R74 PolarHBondContact O-N 3.02Å; A63-T76 HydrophobicContact CB-CG2 3.94Å
64W91.3Very high87.1Confident107 Ų10780.2 Ų80.241%0.40537%0.369SS..EExtended strand (participates in β ladder)trans-87.1125.1170.9172-108.9000109.1V57 Q71 Y73V57-W64 HydrophobicContact CG2-CB 4.33Å; W64-Q71 HydrophobicContact CH2-CG 3.24Å; W64-Q71 VanDerWaalsContact CH2-NE2 3.29Å; W64-Q71 HydrophobicContact CZ2-CG 3.57Å; W64-Q71 HydrophobicContact CZ3-CG 3.8Å; W64-Y73 HydrophobicContact CB-CD1 4.26Å; W64-Y73 HydrophobicContact CB-CE1 4.18Å; W64-Y73 HydrophobicContact CD2-CE1 4.1Å; W64-Y73 AromaticContact CE3-CD1 3.66Å; W64-Y73 HydrophobicContact CE3-CD1 3.66Å; W64-Y73 AromaticContact CE3-CD2 3.95Å; W64-Y73 HydrophobicContact CE3-CD2 3.95Å; W64-Y73 AromaticContact CE3-CE1 3.29Å; W64-Y73 HydrophobicContact CE3-CE1 3.29Å; W64-Y73 AromaticContact CE3-CE2 3.61Å; W64-Y73 HydrophobicContact CE3-CE2 3.61Å; W64-Y73 AromaticContact CE3-CG 3.98Å; W64-Y73 HydrophobicContact CE3-CG 3.98Å; W64-Y73 AromaticContact CE3-CZ 3.26Å; W64-Y73 HydrophobicContact CH2-CE2 4.47Å; W64-Y73 HydrophobicContact CZ3-CD1 4.41Å; W64-Y73 AromaticContact CZ3-CD2 3.93Å; W64-Y73 HydrophobicContact CZ3-CD2 3.93Å; W64-Y73 AromaticContact CZ3-CE1 3.9Å; W64-Y73 HydrophobicContact CZ3-CE1 3.9Å; W64-Y73 AromaticContact CZ3-CE2 3.35Å; W64-Y73 HydrophobicContact CZ3-CE2 3.35Å; W64-Y73 HydrophobicContact CZ3-CG 4.43Å; W64-Y73 AromaticContact CZ3-CZ 3.33Å
65E86.9Confident87.2Confident60 Ų6072.7 Ų72.728%0.2834%0.341SS..EExtended strand (participates in β ladder)trans-127.2140.5177.7-72.4-171.5172.300111I32 G72 R74I32-E65 HydrophobicContact CD1-CB 4.05Å; E65-G72 PolarHBondContact N-O 3.05Å; E65-G72 PolarHBondContact O-N 2.76Å; E65-G72 VanDerWaalsContact O-O 3.11Å; E65-R74 IonicContact OE1-CZ 3.56Å; E65-R74 IonicContact OE1-NE 2.86Å; E65-R74 PolarHBondContact OE1-NE 3.1Å; E65-R74 IonicContact OE1-NH2 2.68Å; E65-R74 PolarHBondContact OE1-NH2 2.58Å; E65-R74 IonicContact OE2-NE 2.8Å
66R83.3Confident87.2Confident155 Ų15570.3 Ų70.359%0.58533%0.331SS*.EExtended strand (participates in β ladder)trans-130.9104.6177.9-177-178.7175.3-169.4-5108.4
67T77.4Confident87Confident78 Ų7872 Ų7248%0.47934%0.34SS..  trans-90170.6167.6-50.70000108.8T69 V70T67-T69 PolarHBondContact O-N 2.94Å; T67-V70 PolarHBondContact N-O 3.36Å
68K73.1Confident86.9Confident211 Ų21171.4 Ų71.492%0.91734%0.34SS*.SBendtrans-53-37.4-178.6-169.1175.9-179.3-179.90113.1
69T72.1Confident87Confident128 Ų12863.2 Ų63.279%0.78531%0.305SS*.SBendtrans-114-30.3-176.5500000113.8T67T67-T69 PolarHBondContact O-N 2.94Å
70V77.1Confident87.2Confident65 Ų6560.2 Ų60.239%0.39429%0.291SS..  trans-112.6130.9-173.6-175.20000110.3I32 T67I32-V70 HydrophobicContact CB-CG1 4Å; I32-V70 HydrophobicContact CG2-CG1 4.1Å; T67-V70 PolarHBondContact N-O 3.36Å
71Q84.1Confident87.3Confident52 Ų5252.5 Ų52.524%0.24326%0.257CS..EExtended strand (participates in β ladder)trans-124.6134.7173.6176.1179.660.200109.8W64W64-Q71 HydrophobicContact CH2-CG 3.24Å; W64-Q71 VanDerWaalsContact CH2-NE2 3.29Å; W64-Q71 HydrophobicContact CZ2-CG 3.57Å; W64-Q71 HydrophobicContact CZ3-CG 3.8Å
72G89.7Confident87.4Confident0 Ų052.9 Ų52.90%026%0.259CS..EExtended strand (participates in β ladder)trans174.7-158.1175.400000113.5V33 E65V33-G72 CarbonylContact O-C 3.22Å; V33-G72 WeakPolarHBondContact O-CA 3.44Å; E65-G72 PolarHBondContact N-O 3.05Å; E65-G72 PolarHBondContact O-N 2.76Å; E65-G72 VanDerWaalsContact O-O 3.11Å
73Y91.8Very high87.5Confident22 Ų2253.1 Ų53.19%0.08626%0.26CS..EExtended strand (participates in β ladder)trans-118.5146.5-177.6-57.9-90000109.5V33 I38 L53 V57 I62 A63 W64V33-Y73 WeakPolarHBondContact CB-O 3.49Å; V33-Y73 PolarHBondContact N-O 3.13Å; V33-Y73 PolarHBondContact O-N 3.38Å; I38-Y73 HydrophobicContact CD1-CD2 3.71Å; I38-Y73 HydrophobicContact CD1-CG 4.3Å; L53-Y73 HydrophobicContact CB-CE1 4.13Å; L53-Y73 HydrophobicContact CB-CE2 4.23Å; L53-Y73 HydrophobicContact CD1-CD2 4.16Å; L53-Y73 HydrophobicContact CD1-CE2 3.62Å; L53-Y73 HydrophobicContact CD2-CD1 4.36Å; L53-Y73 HydrophobicContact CD2-CD2 3.96Å; L53-Y73 HydrophobicContact CD2-CE1 4.47Å; L53-Y73 HydrophobicContact CD2-CE2 4.08Å; L53-Y73 HydrophobicContact CD2-CG 4.1Å; L53-Y73 HydrophobicContact CG-CE2 4.19Å; V57-Y73 HydrophobicContact CG2-CD1 3.95Å; V57-Y73 HydrophobicContact CG2-CE1 3.73Å; I62-Y73 HydrophobicContact CD1-CD1 3.58Å; I62-Y73 HydrophobicContact CD1-CE1 4.16Å; I62-Y73 HydrophobicContact CD1-CG 4.05Å; I62-Y73 HydrophobicContact CG1-CD1 4.09Å; A63-Y73 CarbonylContact O-C 3.54Å; A63-Y73 VanDerWaalsContact O-CA 3.29Å; A63-Y73 WeakPolarHBondContact O-CA 3.23Å; W64-Y73 HydrophobicContact CB-CD1 4.26Å; W64-Y73 HydrophobicContact CB-CE1 4.18Å; W64-Y73 HydrophobicContact CD2-CE1 4.1Å; W64-Y73 AromaticContact CE3-CD1 3.66Å; W64-Y73 HydrophobicContact CE3-CD1 3.66Å; W64-Y73 AromaticContact CE3-CD2 3.95Å; W64-Y73 HydrophobicContact CE3-CD2 3.95Å; W64-Y73 AromaticContact CE3-CE1 3.29Å; W64-Y73 HydrophobicContact CE3-CE1 3.29Å; W64-Y73 AromaticContact CE3-CE2 3.61Å; W64-Y73 HydrophobicContact CE3-CE2 3.61Å; W64-Y73 AromaticContact CE3-CG 3.98Å; W64-Y73 HydrophobicContact CE3-CG 3.98Å; W64-Y73 AromaticContact CE3-CZ 3.26Å; W64-Y73 HydrophobicContact CH2-CE2 4.47Å; W64-Y73 HydrophobicContact CZ3-CD1 4.41Å; W64-Y73 AromaticContact CZ3-CD2 3.93Å; W64-Y73 HydrophobicContact CZ3-CD2 3.93Å; W64-Y73 AromaticContact CZ3-CE1 3.9Å; W64-Y73 HydrophobicContact CZ3-CE1 3.9Å; W64-Y73 AromaticContact CZ3-CE2 3.35Å; W64-Y73 HydrophobicContact CZ3-CE2 3.35Å; W64-Y73 HydrophobicContact CZ3-CG 4.43Å; W64-Y73 AromaticContact CZ3-CZ 3.33Å
74R90.6Very high87.7Confident90 Ų9052.1 Ų52.134%0.3425%0.252SS..EExtended strand (participates in β ladder)trans-122.8153.416667.9171.1-179.295.7-6.3110.1M27 I62 A63 E65M27-R74 HydrophobicContact CE-CB 4.49Å; I62-R74 CarbonylContact C-O 3.58Å; I62-R74 VanDerWaalsContact CA-O 3.31Å; I62-R74 WeakPolarHBondContact CA-O 3.26Å; I62-R74 WeakPolarHBondContact CB-O 3.47Å; A63-R74 HydrophobicContact CB-CG 3.88Å; A63-R74 PolarHBondContact N-O 3.15Å; A63-R74 PolarHBondContact O-N 3.02Å; E65-R74 IonicContact OE1-CZ 3.56Å; E65-R74 IonicContact OE1-NE 2.86Å; E65-R74 PolarHBondContact OE1-NE 3.1Å; E65-R74 IonicContact OE1-NH2 2.68Å; E65-R74 PolarHBondContact OE1-NH2 2.58Å; E65-R74 IonicContact OE2-NE 2.8Å
75L91.9Very high87.8Confident4 Ų447.4 Ų47.42%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-73.8140.2175-161.465.3000110L20 V23 E24 M27 I62 Y80 L83 L151L20-L75 HydrophobicContact CD2-CD1 3.86Å; V23-L75 HydrophobicContact CG1-CB 4.22Å; E24-L75 HydrophobicContact CB-CD2 4.4Å; M27-L75 HydrophobicContact CE-CB 4.3Å; M27-L75 HydrophobicContact SD-CB 3.29Å; M27-L75 WeakPolarHBondContact SD-CB 3.27Å; M27-L75 PolarHBondContact SD-N 3.27Å; I62-L75 HydrophobicContact CG2-CD1 4.11Å; L75-Y80 HydrophobicContact CD2-CD2 3.52Å; L75-Y80 HydrophobicContact CD2-CE2 4.44Å; L75-Y80 HydrophobicContact CD2-CG 4.18Å; L75-L83 HydrophobicContact CD1-CD1 4.45Å; L75-L83 HydrophobicContact CD2-CD1 3.98Å; L75-L151 HydrophobicContact CB-CD1 4.21Å; L75-L151 HydrophobicContact CD2-CD1 4.41Å
76T90.9Very high88.1Confident21 Ų2148.3 Ų48.313%0.12924%0.237CC..  trans-95167.417071.10000110.1K60 L61 A63 A78 G79 Y80K60-T76 WeakPolarHBondContact O-CB 3.23Å; K60-T76 WeakPolarHBondContact O-CG2 3.36Å; K60-T76 PolarHBondContact O-OG1 3.13Å; L61-T76 VanDerWaalsContact C-OG1 3.31Å; L61-T76 PolarHBondContact O-N 2.87Å; L61-T76 PolarHBondContact O-OG1 3.29Å; A63-T76 HydrophobicContact CB-CG2 3.94Å; T76-A78 VanDerWaalsContact C-N 3.27Å; T76-A78 PolarHBondContact O-N 3Å; T76-A78 PolarHBondContact OG1-N 3.19Å; T76-G79 PolarHBondContact O-N 3.34Å; T76-G79 VanDerWaalsContact O-N 3.17Å; T76-G79 PolarHBondContact OG1-N 2.98Å; T76-Y80 PolarHBondContact O-N 2.69Å
77N88.9Confident88.7Confident39 Ų3942.4 Ų42.421%0.20922%0.218CC..Hα-helixtrans-55.8-41.7173-73.6-68000112.5M1 Y80 D81 L151M1-N77 HydrophobicContact CE-CB 4.06Å; M1-N77 WeakPolarHBondContact CE-ND2 3.22Å; N77-Y80 WeakPolarHBondContact O-CB 3.32Å; N77-Y80 PolarHBondContact O-N 3.44Å; N77-D81 PolarHBondContact O-N 2.74Å; N77-D81 VanDerWaalsContact O-OD2 3.09Å; N77-L151 WeakPolarHBondContact OD1-CD2 3.49Å
78A89.9Confident89.5Confident36 Ų3638.7 Ų38.730%0.29820%0.195SC..Hα-helixtrans-64.7-40.8176.600000112.6L61 T76 Y80 D81 Y82L61-A78 HydrophobicContact CD2-CB 4.28Å; T76-A78 VanDerWaalsContact C-N 3.27Å; T76-A78 PolarHBondContact O-N 3Å; T76-A78 PolarHBondContact OG1-N 3.19Å; A78-Y80 VanDerWaalsContact C-N 3.27Å; A78-Y80 PolarHBondContact O-N 3.18Å; A78-D81 WeakPolarHBondContact CA-OD2 3.47Å; A78-D81 PolarHBondContact O-N 3.29Å; A78-Y82 WeakPolarHBondContact O-CD2 3.5Å; A78-Y82 PolarHBondContact O-N 3.49Å; A78-Y82 VanDerWaalsContact O-N 3.1Å
79G92.1Very high90.5Very high0 Ų030.3 Ų30.30%016%0.164CC..Hα-helixtrans-62.7-36.717400000112.6L61 T76 Y82 L83L61-G79 WeakPolarHBondContact O-CA 3.48Å; T76-G79 PolarHBondContact O-N 3.34Å; T76-G79 VanDerWaalsContact O-N 3.17Å; T76-G79 PolarHBondContact OG1-N 2.98Å; G79-Y82 PolarHBondContact O-N 3.39Å; G79-L83 PolarHBondContact O-N 3.28Å; G79-L83 VanDerWaalsContact O-N 3.17Å
80Y93.2Very high91.4Very high9 Ų928.3 Ų28.34%0.03516%0.155CC..Hα-helixtrans-67.8-40.9176.4-157-129.4000112L75 T76 N77 A78 Y82 L83 A84 L151 R183 H184L75-Y80 HydrophobicContact CD2-CD2 3.52Å; L75-Y80 HydrophobicContact CD2-CE2 4.44Å; L75-Y80 HydrophobicContact CD2-CG 4.18Å; T76-Y80 PolarHBondContact O-N 2.69Å; N77-Y80 WeakPolarHBondContact O-CB 3.32Å; N77-Y80 PolarHBondContact O-N 3.44Å; A78-Y80 VanDerWaalsContact C-N 3.27Å; A78-Y80 PolarHBondContact O-N 3.18Å; Y80-Y82 VanDerWaalsContact C-N 3.31Å; Y80-Y82 PolarHBondContact O-N 3.45Å; Y80-L83 PolarHBondContact O-N 2.75Å; Y80-A84 PolarHBondContact O-N 3.26Å; Y80-L151 HydrophobicContact CD1-CB 4.32Å; Y80-L151 HydrophobicContact CD1-CD2 3.77Å; Y80-L151 HydrophobicContact CE1-CB 4.28Å; Y80-L151 HydrophobicContact CG-CD1 4.5Å; Y80-L151 HydrophobicContact CG-CD2 3.98Å; Y80-R183 HydrophobicContact CE1-CB 3.98Å; Y80-R183 HydrophobicContact CE2-CB 4.2Å; Y80-R183 HydrophobicContact CE2-CG 4.02Å; Y80-R183 WeakPolarHBondContact OH-CB 3.42Å; Y80-H184 HydrophobicContact CD1-CB 4.31Å; Y80-H184 AromaticContact CD1-CE1 3.3Å; Y80-H184 WeakPolarHBondContact CD1-CE1 3.45Å; Y80-H184 AromaticContact CD1-CG 3.58Å; Y80-H184 AromaticContact CD1-ND1 3.03Å; Y80-H184 WeakPolarHBondContact CD1-ND1 3.15Å; Y80-H184 AromaticContact CD1-NE2 3.94Å; Y80-H184 HydrophobicContact CE1-CB 3.87Å; Y80-H184 AromaticContact CE1-CE1 3.91Å; Y80-H184 AromaticContact CE1-CG 3.6Å; Y80-H184 AromaticContact CE1-ND1 3.15Å; Y80-H184 WeakPolarHBondContact CE1-ND1 3.03Å; Y80-H184 AromaticContact CG-CE1 3.89Å; Y80-H184 AromaticContact CG-ND1 3.94Å
81D93.4Very high92.3Very high2 Ų230.8 Ų30.81%0.01116%0.157CC..Hα-helixtrans-58.4-43.6173.3-54.2-34.3000112V4 N77 A78 L83 A84 L85 R126 H184V4-D81 HydrophobicContact CG1-CB 4.34Å; V4-D81 HydrophobicContact CG2-CB 4.5Å; V4-D81 WeakPolarHBondContact CG2-OD2 3.26Å; N77-D81 PolarHBondContact O-N 2.74Å; N77-D81 VanDerWaalsContact O-OD2 3.09Å; A78-D81 WeakPolarHBondContact CA-OD2 3.47Å; A78-D81 PolarHBondContact O-N 3.29Å; D81-L83 VanDerWaalsContact C-N 3.34Å; D81-L83 PolarHBondContact O-N 3.29Å; D81-A84 WeakPolarHBondContact O-CB 3.44Å; D81-A84 PolarHBondContact O-N 3.12Å; D81-A84 VanDerWaalsContact O-N 3.15Å; D81-L85 WeakPolarHBondContact O-CB 3.33Å; D81-L85 WeakPolarHBondContact O-CG 3.25Å; D81-L85 PolarHBondContact O-N 3.26Å; D81-R126 VanDerWaalsContact CG-NH1 3.32Å; D81-R126 IonicContact OD1-CZ 2.94Å; D81-R126 IonicContact OD1-NH1 3.73Å; D81-R126 PolarHBondContact OD1-NH1 2.97Å; D81-R126 IonicContact OD1-NH2 3.7Å; D81-R126 PolarHBondContact OD1-NH2 3.16Å; D81-R126 VanDerWaalsContact OD1-NH2 3.12Å; D81-R126 IonicContact OD2-CZ 2.66Å; D81-R126 IonicContact OD2-NH1 3.33Å; D81-R126 PolarHBondContact OD2-NH1 3.18Å; D81-R126 IonicContact OD2-NH2 3.43Å; D81-R126 PolarHBondContact OD2-NH2 2.97Å; D81-H184 IonicContact OD1-CD2 3.5Å; D81-H184 IonicContact OD1-CE1 2.82Å; D81-H184 IonicContact OD1-NE2 2.77Å; D81-H184 PolarHBondContact OD1-NE2 3.3Å
82Y93.8Very high92.7Very high11 Ų1134.9 Ų34.94%0.04318%0.176CC..Hα-helixtrans-63.5-40.7-179.9-92.2-123.2000112.3N5 L9 M12 L61 A78 G79 Y80 A84 K86N5-Y82 WeakPolarHBondContact O-CE2 3.4Å; N5-Y82 PolarHBondContact O-OH 3.19Å; L9-Y82 HydrophobicContact CB-CD1 4.2Å; L9-Y82 HydrophobicContact CB-CE1 3.8Å; L9-Y82 HydrophobicContact CD1-CD1 3.94Å; L9-Y82 HydrophobicContact CD1-CE1 4.31Å; L9-Y82 HydrophobicContact CD1-CG 4.1Å; L9-Y82 HydrophobicContact CG-CD1 4.23Å; L9-Y82 HydrophobicContact CG-CE1 4.34Å; M12-Y82 HydrophobicContact SD-CD1 3.47Å; M12-Y82 WeakPolarHBondContact SD-CD1 3.25Å; M12-Y82 HydrophobicContact SD-CE1 3.57Å; M12-Y82 VanDerWaalsContact SD-CE1 3.57Å; L61-Y82 HydrophobicContact CD1-CD1 4.12Å; L61-Y82 HydrophobicContact CD1-CE1 4.25Å; L61-Y82 HydrophobicContact CD2-CD1 4.09Å; L61-Y82 HydrophobicContact CD2-CD2 3.82Å; L61-Y82 HydrophobicContact CD2-CE1 4.2Å; L61-Y82 HydrophobicContact CD2-CE2 3.96Å; L61-Y82 HydrophobicContact CD2-CG 3.88Å; A78-Y82 WeakPolarHBondContact O-CD2 3.5Å; A78-Y82 PolarHBondContact O-N 3.49Å; A78-Y82 VanDerWaalsContact O-N 3.1Å; G79-Y82 PolarHBondContact O-N 3.39Å; Y80-Y82 VanDerWaalsContact C-N 3.31Å; Y80-Y82 PolarHBondContact O-N 3.45Å; Y82-A84 VanDerWaalsContact C-N 3.32Å; Y82-K86 VanDerWaalsContact O-CB 3.25Å; Y82-K86 WeakPolarHBondContact O-CB 3.25Å; Y82-K86 PolarHBondContact O-N 3.29Å
83L94.3Very high92.9Very high5 Ų536 Ų363%0.02618%0.183CC..Hα-helixtrans-63.8-41.1173.4-75.1172.1000111.1L20 E24 L75 G79 Y80 D81 K86 T87 R183L20-L83 HydrophobicContact CB-CD1 4.24Å; L20-L83 HydrophobicContact CB-CD2 3.78Å; L20-L83 HydrophobicContact CB-CG 4.11Å; E24-L83 HydrophobicContact CB-CD1 4.14Å; L75-L83 HydrophobicContact CD1-CD1 4.45Å; L75-L83 HydrophobicContact CD2-CD1 3.98Å; G79-L83 PolarHBondContact O-N 3.28Å; G79-L83 VanDerWaalsContact O-N 3.17Å; Y80-L83 PolarHBondContact O-N 2.75Å; D81-L83 VanDerWaalsContact C-N 3.34Å; D81-L83 PolarHBondContact O-N 3.29Å; L83-K86 PolarHBondContact O-N 2.69Å; L83-T87 PolarHBondContact O-N 3.44Å; L83-T87 PolarHBondContact O-OG1 3.17Å; L83-R183 PolarHBondContact O-NH1 3.5Å
84A95.2Very high93Very high0 Ų035.1 Ų35.10%018%0.18CC..Hα-helixtrans-61.1-54.7178.100000111.9Y80 D81 Y82 K86 T87 L88 N182 R183 A185Y80-A84 PolarHBondContact O-N 3.26Å; D81-A84 WeakPolarHBondContact O-CB 3.44Å; D81-A84 PolarHBondContact O-N 3.12Å; D81-A84 VanDerWaalsContact O-N 3.15Å; Y82-A84 VanDerWaalsContact C-N 3.32Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 2.95Å; A84-T87 PolarHBondContact O-N 3.29Å; A84-L88 WeakPolarHBondContact O-CG 3.14Å; A84-L88 PolarHBondContact O-N 2.9Å; A84-N182 VanDerWaalsContact CA-ND2 3.32Å; A84-N182 WeakPolarHBondContact CA-ND2 3.5Å; A84-N182 PolarHBondContact O-ND2 2.97Å; A84-N182 VanDerWaalsContact O-ND2 3.15Å; A84-R183 HydrophobicContact CB-CB 4.48Å; A84-A185 HydrophobicContact CB-CB 3.89Å
85L94Very high93.1Very high7 Ų737 Ų374%0.03719%0.192CC..Hα-helixtrans-60.7-37.3178.9-72.4171.2000112.6V4 V6 L9 D81 T87 L88 S89 V97 L122V4-L85 HydrophobicContact CG1-CD1 4.36Å; V6-L85 HydrophobicContact CG1-CD1 4.48Å; V6-L85 HydrophobicContact CG2-CD1 4.47Å; L9-L85 HydrophobicContact CD1-CB 3.8Å; L9-L85 HydrophobicContact CD1-CD1 4.14Å; D81-L85 WeakPolarHBondContact O-CB 3.33Å; D81-L85 WeakPolarHBondContact O-CG 3.25Å; D81-L85 PolarHBondContact O-N 3.26Å; L85-T87 VanDerWaalsContact C-N 3.34Å; L85-T87 PolarHBondContact O-N 3.23Å; L85-L88 PolarHBondContact O-N 3.15Å; L85-S89 WeakPolarHBondContact O-CB 3.48Å; L85-S89 PolarHBondContact O-N 3.42Å; L85-V97 HydrophobicContact CD2-CG2 4.13Å; L85-L122 HydrophobicContact CD2-CD2 3.59Å
86K94Very high93.1Very high80 Ų8039.7 Ų39.735%0.34821%0.212SC..Hα-helixtrans-63.2-41179-177.658.3176175.90112.2F17 Y82 L83 A84 S90F17-K86 HydrophobicContact CD1-CB 3.84Å; F17-K86 HydrophobicContact CD1-CD 4.34Å; F17-K86 HydrophobicContact CD1-CG 3.65Å; F17-K86 HydrophobicContact CD2-CD 4.17Å; F17-K86 HydrophobicContact CD2-CG 4.22Å; F17-K86 HydrophobicContact CE1-CB 3.48Å; F17-K86 VanDerWaalsContact CE1-CB 3.48Å; F17-K86 HydrophobicContact CE1-CD 4Å; F17-K86 HydrophobicContact CE1-CG 3.61Å; F17-K86 HydrophobicContact CE2-CD 3.81Å; F17-K86 HydrophobicContact CE2-CG 4.19Å; F17-K86 HydrophobicContact CG-CD 4.42Å; F17-K86 HydrophobicContact CG-CG 3.97Å; F17-K86 HydrophobicContact CZ-CB 4.02Å; F17-K86 HydrophobicContact CZ-CD 3.71Å; F17-K86 HydrophobicContact CZ-CG 3.89Å; Y82-K86 VanDerWaalsContact O-CB 3.25Å; Y82-K86 WeakPolarHBondContact O-CB 3.25Å; Y82-K86 PolarHBondContact O-N 3.29Å; L83-K86 PolarHBondContact O-N 2.69Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 2.95Å; K86-S90 PolarHBondContact O-N 2.85Å; K86-S90 PolarHBondContact O-OG 3.23Å
87T94.1Very high93.2Very high30 Ų3040.7 Ų40.718%0.18422%0.218CC..Hα-helixtrans-67.4-44.8176.6-52.50000110.9L83 A84 L85 S89 S90 R91 N182 R183L83-T87 PolarHBondContact O-N 3.44Å; L83-T87 PolarHBondContact O-OG1 3.17Å; A84-T87 PolarHBondContact O-N 3.29Å; L85-T87 VanDerWaalsContact C-N 3.34Å; L85-T87 PolarHBondContact O-N 3.23Å; T87-S89 VanDerWaalsContact C-N 3.29Å; T87-S89 PolarHBondContact O-N 2.98Å; T87-S90 WeakPolarHBondContact CA-OG 3.35Å; T87-S90 PolarHBondContact O-N 3.33Å; T87-S90 VanDerWaalsContact O-N 3.07Å; T87-S90 PolarHBondContact O-OG 3.38Å; T87-R91 WeakPolarHBondContact O-CG 3.45Å; T87-R91 PolarHBondContact O-N 3.25Å; T87-N182 WeakPolarHBondContact CB-ND2 3.3Å; T87-N182 PolarHBondContact OG1-ND2 2.99Å; T87-R183 PolarHBondContact OG1-NH1 2.72Å
88L94.7Very high93.2Very high0 Ų040.8 Ų40.80%023%0.228CC..Hα-helixtrans-60.6-40178.3-67.3171.2000111.8A84 L85 R91 Q92 V93 V94 L122 D180 N182 A185 V187A84-L88 WeakPolarHBondContact O-CG 3.14Å; A84-L88 PolarHBondContact O-N 2.9Å; L85-L88 PolarHBondContact O-N 3.15Å; L88-R91 PolarHBondContact O-N 3.2Å; L88-Q92 PolarHBondContact O-N 3.43Å; L88-V93 PolarHBondContact O-N 3.28Å; L88-V94 HydrophobicContact CB-CB 4.16Å; L88-V94 HydrophobicContact CB-CG2 4.02Å; L88-V94 HydrophobicContact CD1-CG2 4.36Å; L88-V94 PolarHBondContact O-N 3.45Å; L88-L122 HydrophobicContact CD1-CD1 4.02Å; L88-D180 HydrophobicContact CD2-CB 4.11Å; L88-D180 WeakPolarHBondContact CD2-OD2 3.38Å; L88-N182 HydrophobicContact CD2-CB 4.29Å; L88-N182 HydrophobicContact CG-CB 4.39Å; L88-A185 HydrophobicContact CD1-CB 4.19Å; L88-V187 HydrophobicContact CD1-CG2 3.81Å; L88-V187 HydrophobicContact CD2-CG2 3.98Å
89S93.9Very high93.1Very high36 Ų3645.5 Ų45.525%0.25225%0.248SC..Hα-helixtrans-65.9-40.6172.3169.80000112.4L85 T87 R91 Q92 V94L85-S89 WeakPolarHBondContact O-CB 3.48Å; L85-S89 PolarHBondContact O-N 3.42Å; T87-S89 VanDerWaalsContact C-N 3.29Å; T87-S89 PolarHBondContact O-N 2.98Å; S89-R91 PolarHBondContact O-N 3.48Å; S89-Q92 PolarHBondContact O-N 2.98Å; S89-V94 WeakPolarHBondContact CA-O 3.48Å; S89-V94 WeakPolarHBondContact CB-O 3.43Å
90S92.3Very high92.9Very high86 Ų8647.6 Ų47.660%0.60126%0.258SS*.Hα-helixtrans-66.7-23.4176.167.80000114.2K86 T87 Q92K86-S90 PolarHBondContact O-N 2.85Å; K86-S90 PolarHBondContact O-OG 3.23Å; T87-S90 WeakPolarHBondContact CA-OG 3.35Å; T87-S90 PolarHBondContact O-N 3.33Å; T87-S90 VanDerWaalsContact O-N 3.07Å; T87-S90 PolarHBondContact O-OG 3.38Å; S90-Q92 VanDerWaalsContact C-N 3.31Å
91R94.4Very high92.5Very high117 Ų11751.8 Ų51.844%0.44228%0.279SS..THydrogen-bonded Turntrans-88.73.8173.4-67.8176.7179.8168.5-3.4112.9T87 L88 S89 V93 D180 Y181T87-R91 WeakPolarHBondContact O-CG 3.45Å; T87-R91 PolarHBondContact O-N 3.25Å; L88-R91 PolarHBondContact O-N 3.2Å; S89-R91 PolarHBondContact O-N 3.48Å; R91-V93 HydrophobicContact CB-CG2 4.03Å; R91-V93 PolarHBondContact O-N 2.85Å; R91-D180 WeakPolarHBondContact CD-OD2 3.47Å; R91-D180 IonicContact CZ-OD2 3.76Å; R91-D180 IonicContact NE-OD2 3.88Å; R91-D180 VanDerWaalsContact NH1-CG 3.28Å; R91-D180 IonicContact NH1-OD1 2.7Å; R91-D180 PolarHBondContact NH1-OD1 2.5Å; R91-D180 IonicContact NH1-OD2 2.66Å; R91-D180 PolarHBondContact NH1-OD2 3.35Å; R91-Y181 PolarHBondContact NH1-O 2.89Å
92Q93.4Very high91.8Very high137 Ų13753 Ų5364%0.6429%0.293SS*.THydrogen-bonded Turntrans60.222.4-177.9-56.3179.9-63.100114.6L88 S89 S90L88-Q92 PolarHBondContact O-N 3.43Å; S89-Q92 PolarHBondContact O-N 2.98Å; S90-Q92 VanDerWaalsContact C-N 3.31Å
93V94.1Very high91.3Very high23 Ų2357.1 Ų57.114%0.13932%0.318CS..SBendtrans-83.4-37.5176.9-178.80000110.9L88 R91 I179 D180 V187L88-V93 PolarHBondContact O-N 3.28Å; R91-V93 HydrophobicContact CB-CG2 4.03Å; R91-V93 PolarHBondContact O-N 2.85Å; V93-I179 HydrophobicContact CG1-CG2 3.83Å; V93-D180 HydrophobicContact CG1-CB 4.26Å; V93-D180 HydrophobicContact CG2-CB 4.09Å; V93-V187 HydrophobicContact CG1-CB 4.29Å; V93-V187 HydrophobicContact CG1-CG1 3.99Å; V93-V187 HydrophobicContact CG1-CG2 4.27Å
94V94.2Very high90.4Very high5 Ų558.3 Ų58.33%0.0333%0.332CS..  trans-128.5114.9-176.8176.40000110L88 S89 V97 V112 V187L88-V94 HydrophobicContact CB-CB 4.16Å; L88-V94 HydrophobicContact CB-CG2 4.02Å; L88-V94 HydrophobicContact CD1-CG2 4.36Å; L88-V94 PolarHBondContact O-N 3.45Å; S89-V94 WeakPolarHBondContact CA-O 3.48Å; S89-V94 WeakPolarHBondContact CB-O 3.43Å; V94-V97 HydrophobicContact CG1-CG2 4.2Å; V94-V112 HydrophobicContact CG1-CB 3.94Å; V94-V112 HydrophobicContact CG1-CG1 4.01Å; V94-V112 HydrophobicContact CG2-CB 4.14Å; V94-V112 HydrophobicContact CG2-CG1 4.47Å; V94-V112 HydrophobicContact CG2-CG2 3.91Å; V94-V187 HydrophobicContact CG2-CG2 4.17Å
95E93.3Very high89.6Confident128 Ų12866.2 Ų66.260%0.59837%0.366SS*.SBendtrans-102.4-42.1174.6-17657.6-156.100111.1A113E95-A113 PolarHBondContact N-O 3.32Å
96S91.9Very high89Confident62 Ų6269 Ų6943%0.43438%0.379SS..EExtended strand (participates in β ladder)trans-127147178.869.50000112.1V112 A113S96-V112 CarbonylContact O-C 3.47Å; S96-V112 VanDerWaalsContact O-CA 3.29Å; S96-V112 WeakPolarHBondContact O-CA 3.34Å; S96-A113 PolarHBondContact N-O 3.42Å; S96-A113 VanDerWaalsContact N-O 3.08Å; S96-A113 PolarHBondContact O-N 3.06Å
97V92.5Very high88.8Confident42 Ų4266 Ų6626%0.25537%0.368SS..EExtended strand (participates in β ladder)trans-111.6117.9173.4-175.80000107.5V6 L85 V94 Y110 V112V6-V97 HydrophobicContact CG1-CB 4.38Å; V6-V97 HydrophobicContact CG1-CG2 4.04Å; V6-V97 HydrophobicContact CG2-CB 4.02Å; V6-V97 HydrophobicContact CG2-CG1 4.02Å; V6-V97 HydrophobicContact CG2-CG2 4.19Å; L85-V97 HydrophobicContact CD2-CG2 4.13Å; V94-V97 HydrophobicContact CG1-CG2 4.2Å; V97-Y110 HydrophobicContact CG1-CD1 4.15Å; V97-V112 HydrophobicContact CB-CG1 4.46Å; V97-V112 HydrophobicContact CG1-CG1 4.27Å; V97-V112 HydrophobicContact CG2-CG1 4.15Å
98G89.3Confident88.6Confident41 Ų4164.7 Ų64.742%0.42336%0.36SS..EExtended strand (participates in β ladder)trans-87.3-149.5178.300000112.7I111G98-I111 WeakPolarHBondContact CA-O 3.25Å; G98-I111 PolarHBondContact N-O 2.87Å
99N87.8Confident88.6Confident134 Ų13466.7 Ų66.772%0.71737%0.37SS*.EExtended strand (participates in β ladder)trans-72152.5-176.7-68.6-33.1000112.1M101 I111N99-M101 PolarHBondContact O-N 2.97Å; N99-I111 PolarHBondContact O-N 3.12Å
100Q87.8Confident88.6Confident44 Ų4465.4 Ų65.421%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-77.6117.4169.8-173.9167.421.700108.8V103 Y110Q100-V103 HydrophobicContact CG-CG2 4.39Å; Q100-Y110 HydrophobicContact CB-CD1 3.95Å; Q100-Y110 HydrophobicContact CB-CE1 3.66Å; Q100-Y110 HydrophobicContact CG-CD1 4.29Å; Q100-Y110 HydrophobicContact CG-CE1 3.9Å; Q100-Y110 PolarHBondContact NE2-OH 3.15Å; Q100-Y110 PolarHBondContact OE1-OH 3.34Å
101M83.2Confident88.7Confident98 Ų9863.2 Ų63.248%0.48334%0.341SS..EExtended strand (participates in β ladder)trans-76.2-44.8178-61.4-156-68.200111.1N99 I109 I111 A121 L190N99-M101 PolarHBondContact O-N 2.97Å; M101-I109 HydrophobicContact CB-CG2 4.4Å; M101-I109 HydrophobicContact CE-CG2 3.53Å; M101-I109 PolarHBondContact N-O 2.9Å; M101-I111 HydrophobicContact CE-CG1 4.4Å; M101-I111 HydrophobicContact CG-CD1 3.73Å; M101-I111 HydrophobicContact CG-CG1 3.36Å; M101-I111 HydrophobicContact SD-CD1 3.79Å; M101-I111 HydrophobicContact SD-CG1 3.58Å; M101-I111 VanDerWaalsContact SD-CG1 3.58Å; M101-A121 HydrophobicContact CE-CB 4.4Å; M101-L190 HydrophobicContact CE-CD1 3.52Å; M101-L190 HydrophobicContact SD-CD1 3.89Å
102G79.7Confident88.8Confident28 Ų2857.7 Ų57.729%0.28932%0.321SS..EExtended strand (participates in β ladder)trans-148.2141.2-172.300000112.8I109G102-I109 PolarHBondContact N-O 3.04Å; G102-I109 PolarHBondContact O-N 3.45Å
103V82.6Confident88.9Confident96 Ų9651.7 Ų51.758%0.58230%0.295SS*.EExtended strand (participates in β ladder)trans-108.3101.1166.9-178.50000106.5Q100Q100-V103 HydrophobicContact CG-CG2 4.39Å
104G76.4Confident88.9Confident31 Ų3151.8 Ų51.832%0.3229%0.294SS..  trans-83.6171.117500000112.7E106 S107 R129G104-E106 VanDerWaalsContact C-N 3.29Å; G104-S107 CarbonylContact C-O 3.58Å; G104-S107 WeakPolarHBondContact CA-O 3.48Å; G104-S107 PolarHBondContact N-O 3.42Å; G104-R129 PolarHBondContact O-NH1 2.96Å
105K77.5Confident88.9Confident165 Ų16558.5 Ų58.572%0.71733%0.325SS*.SBendtrans-63.4-38.6172.2-68.2178.1-176.9170.80111.3
106E81.9Confident88.9Confident65 Ų6560.2 Ų60.230%0.30433%0.333SS..SBendtrans-121.2-6.7-170.2-53.7-166.7167.300113.7G104 R126G104-E106 VanDerWaalsContact C-N 3.29Å; E106-R126 CarbonylContact O-C 3.56Å; E106-R126 WeakPolarHBondContact O-CA 3.06Å; E106-R126 PolarHBondContact O-N 2.97Å
107S89.2Confident88.9Confident17 Ų1759.8 Ų59.812%0.11934%0.338CS..EExtended strand (participates in β ladder)trans-151.2158.9178.960.80000112.2G104 L124G104-S107 CarbonylContact C-O 3.58Å; G104-S107 WeakPolarHBondContact CA-O 3.48Å; G104-S107 PolarHBondContact N-O 3.42Å; S107-L124 CarbonylContact C-O 3.5Å; S107-L124 WeakPolarHBondContact CA-O 3.15Å; S107-L124 WeakPolarHBondContact CB-O 3.2Å
108D91.5Very high89Confident3 Ų362.8 Ų62.82%0.01635%0.35CS..EExtended strand (participates in β ladder)trans-114.9133.5169.3-64.4-46.6000109.1Y110 L124 R126 R129D108-Y110 HydrophobicContact CB-CD2 4.23Å; D108-Y110 HydrophobicContact CB-CE2 3.63Å; D108-L124 HydrophobicContact CB-CB 4.41Å; D108-L124 PolarHBondContact N-O 3.44Å; D108-L124 PolarHBondContact O-N 3.28Å; D108-R126 WeakPolarHBondContact OD2-CG 3.29Å; D108-R126 IonicContact OD2-CZ 3.14Å; D108-R126 IonicContact OD2-NE 3.8Å; D108-R126 PolarHBondContact OD2-NE 3.36Å; D108-R126 IonicContact OD2-NH2 3.79Å; D108-R129 VanDerWaalsContact CG-NH2 3.25Å; D108-R129 IonicContact OD1-CZ 3.74Å; D108-R129 VanDerWaalsContact OD1-CZ 3.24Å; D108-R129 IonicContact OD1-NH1 3.34Å; D108-R129 PolarHBondContact OD1-NH1 2.93Å; D108-R129 IonicContact OD1-NH2 2.71Å; D108-R129 PolarHBondContact OD1-NH2 3.42Å; D108-R129 IonicContact OD2-CZ 3.24Å; D108-R129 IonicContact OD2-NH1 2.68Å; D108-R129 IonicContact OD2-NH2 2.92Å; D108-R129 PolarHBondContact OD2-NH2 3.23Å
109I92.8Very high89.3Confident42 Ų4266.3 Ų66.322%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-108.8125.1178.9-47.3-59.1000110.1M101 G102 L122 K123M101-I109 HydrophobicContact CB-CG2 4.4Å; M101-I109 HydrophobicContact CE-CG2 3.53Å; M101-I109 PolarHBondContact N-O 2.9Å; G102-I109 PolarHBondContact N-O 3.04Å; G102-I109 PolarHBondContact O-N 3.45Å; I109-L122 WeakPolarHBondContact CA-O 3.3Å; I109-K123 HydrophobicContact CD1-CB 3.68Å; I109-K123 HydrophobicContact CD1-CD 3.84Å; I109-K123 HydrophobicContact CD1-CG 3.5Å; I109-K123 VanDerWaalsContact CD1-CG 3.5Å
110Y94.4Very high89.7Confident10 Ų1060.7 Ų60.74%0.03933%0.325CS..EExtended strand (participates in β ladder)trans-121143.4179-72.3-89.2000110.6V4 V97 Q100 D108 L122 L124V4-Y110 HydrophobicContact CB-CE1 4.41Å; V4-Y110 HydrophobicContact CB-CE2 4.38Å; V4-Y110 HydrophobicContact CG2-CE2 3.92Å; V4-Y110 WeakPolarHBondContact CG2-OH 3.46Å; V4-Y110 PolarHBondContact N-OH 3.11Å; V4-Y110 VanDerWaalsContact N-OH 3.16Å; V97-Y110 HydrophobicContact CG1-CD1 4.15Å; Q100-Y110 HydrophobicContact CB-CD1 3.95Å; Q100-Y110 HydrophobicContact CB-CE1 3.66Å; Q100-Y110 HydrophobicContact CG-CD1 4.29Å; Q100-Y110 HydrophobicContact CG-CE1 3.9Å; Q100-Y110 PolarHBondContact NE2-OH 3.15Å; Q100-Y110 PolarHBondContact OE1-OH 3.34Å; D108-Y110 HydrophobicContact CB-CD2 4.23Å; D108-Y110 HydrophobicContact CB-CE2 3.63Å; Y110-L122 PolarHBondContact N-O 3.44Å; Y110-L122 PolarHBondContact O-N 3.33Å; Y110-L124 HydrophobicContact CD2-CD1 4.04Å; Y110-L124 HydrophobicContact CD2-CG 4.46Å; Y110-L124 HydrophobicContact CE2-CD1 3.92Å
111I95.1Very high90.1Very high39 Ų3959 Ų5920%0.232%0.318CS..EExtended strand (participates in β ladder)trans-79134.1165.5-53.9-178.7000107.7G98 N99 M101 Q119G98-I111 WeakPolarHBondContact CA-O 3.25Å; G98-I111 PolarHBondContact N-O 2.87Å; N99-I111 PolarHBondContact O-N 3.12Å; M101-I111 HydrophobicContact CE-CG1 4.4Å; M101-I111 HydrophobicContact CG-CD1 3.73Å; M101-I111 HydrophobicContact CG-CG1 3.36Å; M101-I111 HydrophobicContact SD-CD1 3.79Å; M101-I111 HydrophobicContact SD-CG1 3.58Å; M101-I111 VanDerWaalsContact SD-CG1 3.58Å; I111-Q119 HydrophobicContact CG2-CB 4.38Å
112V95.5Very high90.7Very high1 Ų154.4 Ų54.41%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-129.2156.7172.7-63.10000109.7V94 S96 V97 Q119 F120 L122 V187V94-V112 HydrophobicContact CG1-CB 3.94Å; V94-V112 HydrophobicContact CG1-CG1 4.01Å; V94-V112 HydrophobicContact CG2-CB 4.14Å; V94-V112 HydrophobicContact CG2-CG1 4.47Å; V94-V112 HydrophobicContact CG2-CG2 3.91Å; S96-V112 CarbonylContact O-C 3.47Å; S96-V112 VanDerWaalsContact O-CA 3.29Å; S96-V112 WeakPolarHBondContact O-CA 3.34Å; V97-V112 HydrophobicContact CB-CG1 4.46Å; V97-V112 HydrophobicContact CG1-CG1 4.27Å; V97-V112 HydrophobicContact CG2-CG1 4.15Å; V112-Q119 CarbonylContact O-C 3.48Å; V112-Q119 WeakPolarHBondContact O-CA 3.08Å; V112-F120 HydrophobicContact CG2-CB 3.88Å; V112-F120 PolarHBondContact N-O 3.24Å; V112-F120 PolarHBondContact O-N 3.44Å; V112-L122 HydrophobicContact CB-CB 4.48Å; V112-L122 HydrophobicContact CG1-CB 3.6Å; V112-L122 HydrophobicContact CG1-CD2 3.76Å; V112-L122 HydrophobicContact CG1-CG 4.31Å; V112-L122 HydrophobicContact CG2-CB 4.03Å; V112-V187 HydrophobicContact CG2-CG1 4.43Å
113A95.6Very high91.5Very high12 Ų1253.6 Ų53.610%0.09928%0.284CS..EExtended strand (participates in β ladder)trans-132147.6173.300000111.5E95 S96 Q118E95-A113 PolarHBondContact N-O 3.32Å; S96-A113 PolarHBondContact N-O 3.42Å; S96-A113 VanDerWaalsContact N-O 3.08Å; S96-A113 PolarHBondContact O-N 3.06Å; A113-Q118 WeakPolarHBondContact CA-O 3.47Å; A113-Q118 WeakPolarHBondContact CB-O 3.46Å
114N94.9Very high92Very high24 Ų2449.1 Ų49.113%0.12826%0.256CS..  trans-80.6-176.517370.1-3.8000111.3E116 G117 Q118 F120N114-E116 PolarHBondContact O-N 3.21Å; N114-E116 PolarHBondContact OD1-N 3.48Å; N114-E116 VanDerWaalsContact OD1-N 3.13Å; N114-G117 PolarHBondContact O-N 3.4Å; N114-G117 PolarHBondContact OD1-N 2.93Å; N114-Q118 PolarHBondContact N-O 3.39Å; N114-Q118 VanDerWaalsContact N-O 3.14Å; N114-Q118 WeakPolarHBondContact OD1-CB 3.48Å; N114-Q118 PolarHBondContact OD1-N 3.43Å; N114-Q118 PolarHBondContact OD1-O 3.23Å; N114-F120 HydrophobicContact CB-CE2 3.99Å
115E93.3Very high92.8Very high146 Ų14647.8 Ų47.868%0.68224%0.242SC*.THydrogen-bonded Turntrans-63.1-28.7177.1-170.1173.5175.400112.7G117E115-G117 VanDerWaalsContact C-N 3.26Å; E115-G117 PolarHBondContact O-N 2.74Å
116E93.6Very high93.3Very high165 Ų16540.5 Ų40.577%0.77121%0.21SC*.THydrogen-bonded Turntrans-79.4-7.3178.6-57.2175.5166.300113.1N114 Q118N114-E116 PolarHBondContact O-N 3.21Å; N114-E116 PolarHBondContact OD1-N 3.48Å; N114-E116 VanDerWaalsContact OD1-N 3.13Å; E116-Q118 VanDerWaalsContact C-N 3.31Å
117G92Very high93.3Very high52 Ų5238.6 Ų38.654%0.53620%0.202SC..  trans816-176.300000114.6N114 E115N114-G117 PolarHBondContact O-N 3.4Å; N114-G117 PolarHBondContact OD1-N 2.93Å; E115-G117 VanDerWaalsContact C-N 3.26Å; E115-G117 PolarHBondContact O-N 2.74Å
118Q95.2Very high92.5Very high106 Ų10639.4 Ų39.450%0.49521%0.212SC..  trans-69132.5171.5-172.3174900110A113 N114 E116 F120A113-Q118 WeakPolarHBondContact CA-O 3.47Å; A113-Q118 WeakPolarHBondContact CB-O 3.46Å; N114-Q118 PolarHBondContact N-O 3.39Å; N114-Q118 VanDerWaalsContact N-O 3.14Å; N114-Q118 WeakPolarHBondContact OD1-CB 3.48Å; N114-Q118 PolarHBondContact OD1-N 3.43Å; N114-Q118 PolarHBondContact OD1-O 3.23Å; E116-Q118 VanDerWaalsContact C-N 3.31Å; Q118-F120 HydrophobicContact CB-CE2 4.09Å; Q118-F120 HydrophobicContact CB-CZ 4.13Å; Q118-F120 HydrophobicContact CG-CE1 4.22Å; Q118-F120 HydrophobicContact CG-CE2 4.08Å; Q118-F120 HydrophobicContact CG-CZ 3.71Å
119Q96.1Very high91.5Very high114 Ų11442.6 Ų42.653%0.53322%0.224SC..EExtended strand (participates in β ladder)trans-91.1141.4-177.2-62.8-178.4-10.800111.6I111 V112 L190I111-Q119 HydrophobicContact CG2-CB 4.38Å; V112-Q119 CarbonylContact O-C 3.48Å; V112-Q119 WeakPolarHBondContact O-CA 3.08Å; Q119-L190 HydrophobicContact CB-CD2 3.91Å
120F96.4Very high89.6Confident17 Ų1743.2 Ų43.28%0.07523%0.23CC..EExtended strand (participates in β ladder)trans-135.8162.7177.6-58-75.8000110.3V112 N114 Q118 I179 V187 M188V112-F120 HydrophobicContact CG2-CB 3.88Å; V112-F120 PolarHBondContact N-O 3.24Å; V112-F120 PolarHBondContact O-N 3.44Å; N114-F120 HydrophobicContact CB-CE2 3.99Å; Q118-F120 HydrophobicContact CB-CE2 4.09Å; Q118-F120 HydrophobicContact CB-CZ 4.13Å; Q118-F120 HydrophobicContact CG-CE1 4.22Å; Q118-F120 HydrophobicContact CG-CE2 4.08Å; Q118-F120 HydrophobicContact CG-CZ 3.71Å; F120-I179 HydrophobicContact CD1-CD1 4.4Å; F120-I179 HydrophobicContact CD1-CG1 3.99Å; F120-I179 HydrophobicContact CE1-CD1 4.06Å; F120-I179 HydrophobicContact CE1-CG1 4.11Å; F120-V187 HydrophobicContact CB-CG1 3.89Å; F120-V187 HydrophobicContact CG-CG1 4.37Å; F120-M188 WeakPolarHBondContact CB-O 3.49Å
121A95.8Very high87.2Confident8 Ų848.4 Ų48.47%0.06627%0.268CS..EExtended strand (participates in β ladder)trans-96.8127.7171.800000110.4M101 V187 M188 L190M101-A121 HydrophobicContact CE-CB 4.4Å; A121-V187 WeakPolarHBondContact O-CA 3.48Å; A121-M188 HydrophobicContact CB-CG 3.95Å; A121-M188 PolarHBondContact N-O 3.24Å; A121-M188 PolarHBondContact O-N 2.99Å; A121-L190 HydrophobicContact CB-CD1 4.12Å
122L96Very high84.7Confident2 Ų250.3 Ų50.31%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-105.9114.1172.3172.168.1000109.4L85 L88 I109 Y110 V112 L124 A185 V187L85-L122 HydrophobicContact CD2-CD2 3.59Å; L88-L122 HydrophobicContact CD1-CD1 4.02Å; I109-L122 WeakPolarHBondContact CA-O 3.3Å; Y110-L122 PolarHBondContact N-O 3.44Å; Y110-L122 PolarHBondContact O-N 3.33Å; V112-L122 HydrophobicContact CB-CB 4.48Å; V112-L122 HydrophobicContact CG1-CB 3.6Å; V112-L122 HydrophobicContact CG1-CD2 3.76Å; V112-L122 HydrophobicContact CG1-CG 4.31Å; V112-L122 HydrophobicContact CG2-CB 4.03Å; L122-L124 HydrophobicContact CD1-CD2 4.12Å; L122-L124 HydrophobicContact CD2-CD2 4.26Å; L122-L124 HydrophobicContact CD2-CG 4.43Å; L122-L124 HydrophobicContact CG-CD2 4.17Å; L122-L124 HydrophobicContact CG-CG 4.31Å; L122-A185 HydrophobicContact CD1-CB 3.91Å; L122-V187 HydrophobicContact CD1-CG2 3.84Å
123K95Very high82.3Confident11 Ų1161.1 Ų61.15%0.04832%0.315CS..EExtended strand (participates in β ladder)trans-98.5118.8174-178.1166.9177.6-174.80110.2I109 E161 A185 V186 M188 D246I109-K123 HydrophobicContact CD1-CB 3.68Å; I109-K123 HydrophobicContact CD1-CD 3.84Å; I109-K123 HydrophobicContact CD1-CG 3.5Å; I109-K123 VanDerWaalsContact CD1-CG 3.5Å; K123-E161 WeakPolarHBondContact CD-OE2 3.37Å; K123-E161 VanDerWaalsContact CE-OE2 3.28Å; K123-E161 WeakPolarHBondContact CE-OE2 3.3Å; K123-E161 VanDerWaalsContact NZ-CD 3.28Å; K123-E161 IonicContact NZ-OE1 3.9Å; K123-E161 PolarHBondContact NZ-OE1 2.85Å; K123-E161 IonicContact NZ-OE2 3.68Å; K123-E161 PolarHBondContact NZ-OE2 2.96Å; K123-A185 WeakPolarHBondContact O-CA 3.33Å; K123-V186 PolarHBondContact N-O 3.44Å; K123-V186 PolarHBondContact O-N 3.41Å; K123-M188 HydrophobicContact CB-CE 3.62Å; K123-M188 HydrophobicContact CD-CE 3.94Å; K123-M188 HydrophobicContact CG-CE 4.43Å; K123-D246 IonicContact NZ-OD1 3.18Å; K123-D246 PolarHBondContact NZ-OD1 3.14Å
124L94.1Very high79.7Confident1 Ų166.2 Ų66.21%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-104.5118.3174.5-62.2-179.5000109.9V4 S107 D108 Y110 L122 A185V4-L124 HydrophobicContact CG2-CD1 3.9Å; S107-L124 CarbonylContact C-O 3.5Å; S107-L124 WeakPolarHBondContact CA-O 3.15Å; S107-L124 WeakPolarHBondContact CB-O 3.2Å; D108-L124 HydrophobicContact CB-CB 4.41Å; D108-L124 PolarHBondContact N-O 3.44Å; D108-L124 PolarHBondContact O-N 3.28Å; Y110-L124 HydrophobicContact CD2-CD1 4.04Å; Y110-L124 HydrophobicContact CD2-CG 4.46Å; Y110-L124 HydrophobicContact CE2-CD1 3.92Å; L122-L124 HydrophobicContact CD1-CD2 4.12Å; L122-L124 HydrophobicContact CD2-CD2 4.26Å; L122-L124 HydrophobicContact CD2-CG 4.43Å; L122-L124 HydrophobicContact CG-CD2 4.17Å; L122-L124 HydrophobicContact CG-CG 4.31Å; L124-A185 HydrophobicContact CD2-CB 3.54Å
125H92.6Very high77.4Confident4 Ų467.1 Ų67.12%0.01935%0.346CS..EExtended strand (participates in β ladder)trans-75.6135.7179.3-68.772.6000112.3L127 S157 A158 E161 H184H125-L127 HydrophobicContact CB-CD1 4.29Å; H125-S157 PolarHBondContact CD2-OG 2.82Å; H125-A158 VanDerWaalsContact CE1-CA 3.44Å; H125-A158 WeakPolarHBondContact CE1-CA 3.37Å; H125-A158 WeakPolarHBondContact ND1-CB 3.35Å; H125-E161 IonicContact CE1-OE2 2.93Å; H125-E161 PolarHBondContact CE1-OE2 3.06Å; H125-E161 IonicContact NE2-OE2 3.69Å; H125-E161 PolarHBondContact NE2-OE2 2.84Å; H125-H184 HydrophobicContact CB-CB 4.19Å; H125-H184 PolarHBondContact N-O 3Å; H125-H184 PolarHBondContact ND1-O 3.47Å; H125-H184 VanDerWaalsContact ND1-O 3.1Å; H125-H184 PolarHBondContact O-CD2 3.17Å
126R88.1Confident75.2Confident12 Ų1264.8 Ų64.85%0.04533%0.333CS..  trans-132.960.5-173-62.4-59.8-164.1-163.2-0.6111.3D81 E106 D108 G128D81-R126 VanDerWaalsContact CG-NH1 3.32Å; D81-R126 IonicContact OD1-CZ 2.94Å; D81-R126 IonicContact OD1-NH1 3.73Å; D81-R126 PolarHBondContact OD1-NH1 2.97Å; D81-R126 IonicContact OD1-NH2 3.7Å; D81-R126 PolarHBondContact OD1-NH2 3.16Å; D81-R126 VanDerWaalsContact OD1-NH2 3.12Å; D81-R126 IonicContact OD2-CZ 2.66Å; D81-R126 IonicContact OD2-NH1 3.33Å; D81-R126 PolarHBondContact OD2-NH1 3.18Å; D81-R126 IonicContact OD2-NH2 3.43Å; D81-R126 PolarHBondContact OD2-NH2 2.97Å; E106-R126 CarbonylContact O-C 3.56Å; E106-R126 WeakPolarHBondContact O-CA 3.06Å; E106-R126 PolarHBondContact O-N 2.97Å; D108-R126 WeakPolarHBondContact OD2-CG 3.29Å; D108-R126 IonicContact OD2-CZ 3.14Å; D108-R126 IonicContact OD2-NE 3.8Å; D108-R126 PolarHBondContact OD2-NE 3.36Å; D108-R126 IonicContact OD2-NH2 3.79Å; R126-G128 PolarHBondContact O-N 3Å
127L83.1Confident72.8Confident25 Ų2563.5 Ų63.513%0.13133%0.332CS..THydrogen-bonded Turntrans-66.1138.6174.7-80.364.1000110.2H125 W150 L153 S154H125-L127 HydrophobicContact CB-CD1 4.29Å; L127-W150 HydrophobicContact CB-CE3 3.9Å; L127-W150 HydrophobicContact CB-CZ3 4.34Å; L127-L153 HydrophobicContact CD2-CB 3.69Å; L127-S154 PolarHBondContact N-OG 3.5Å; L127-S154 VanDerWaalsContact N-OG 3.16Å
128G71.1Confident70.5Confident33 Ų3369.6 Ų69.634%0.3434%0.344SS..THydrogen-bonded Turntrans86.112.2179.100000115.8R126R126-G128 PolarHBondContact O-N 3Å
129R71.4Confident68.3Low71 Ų7168.3 Ų68.327%0.26833%0.334SS..SBendtrans-69.7-42.1173.9176.3178.7-89.1160.9-5.1112.4G104 D108G104-R129 PolarHBondContact O-NH1 2.96Å; D108-R129 VanDerWaalsContact CG-NH2 3.25Å; D108-R129 IonicContact OD1-CZ 3.74Å; D108-R129 VanDerWaalsContact OD1-CZ 3.24Å; D108-R129 IonicContact OD1-NH1 3.34Å; D108-R129 PolarHBondContact OD1-NH1 2.93Å; D108-R129 IonicContact OD1-NH2 2.71Å; D108-R129 PolarHBondContact OD1-NH2 3.42Å; D108-R129 IonicContact OD2-CZ 3.24Å; D108-R129 IonicContact OD2-NH1 2.68Å; D108-R129 IonicContact OD2-NH2 2.92Å; D108-R129 PolarHBondContact OD2-NH2 3.23Å
130T53Low65.7Low55 Ų5571.1 Ų71.134%0.33735%0.353SS..SBendtrans-92.5143.6167.448.90000108.3F132T130-F132 WeakPolarHBondContact O-CD2 3.41Å; T130-F132 PolarHBondContact O-N 3.04Å; T130-F132 WeakPolarHBondContact OG1-CD2 3.48Å; T130-F132 WeakPolarHBondContact OG1-CE2 3.28Å
131S43.9Very low63.1Low119 Ų11973.7 Ų73.783%0.83236%0.362SS*.  trans-67.874.3-176.351.50000111.6R133S131-R133 PolarHBondContact O-N 3.33Å
132F43Very low60.6Low78 Ų7878.1 Ų78.134%0.34238%0.382SS..  trans-7671.3164.4-66.8-79.1000108.7T130 N134 L135T130-F132 WeakPolarHBondContact O-CD2 3.41Å; T130-F132 PolarHBondContact O-N 3.04Å; T130-F132 WeakPolarHBondContact OG1-CD2 3.48Å; T130-F132 WeakPolarHBondContact OG1-CE2 3.28Å; F132-N134 PolarHBondContact O-N 3.03Å; F132-L135 HydrophobicContact CB-CB 3.82Å; F132-L135 HydrophobicContact CB-CD1 3.55Å; F132-L135 HydrophobicContact CB-CG 4.27Å; F132-L135 HydrophobicContact CD1-CD1 3.15Å; F132-L135 HydrophobicContact CD2-CD1 4.09Å; F132-L135 HydrophobicContact CE1-CD1 3.68Å; F132-L135 HydrophobicContact CG-CD1 3.37Å; F132-L135 HydrophobicContact CG-CG 4.48Å; F132-L135 HydrophobicContact CZ-CD1 4.32Å; F132-L135 PolarHBondContact O-N 3.07Å
133R44Very low58.2Low228 Ų22885.4 Ų85.486%0.8641%0.413SS*.THydrogen-bonded Turntrans-53.2-24.1170.6-101.7176.7170.8168.8-4.2111.5S131S131-R133 PolarHBondContact O-N 3.33Å
134N41.7Very low55.5Low120 Ų12093.8 Ų93.864%0.64245%0.452SS*.THydrogen-bonded Turntrans-99.3-10.5-175.3-64.8-7.1000115.4F132 K136 N137F132-N134 PolarHBondContact O-N 3.03Å; N134-K136 VanDerWaalsContact C-N 3.32Å; N134-K136 PolarHBondContact O-N 2.96Å; N134-N137 PolarHBondContact O-N 3.38Å
135L45Very low53.3Low42 Ų42100.5 Ų100.522%0.2248%0.477CS..G310 helixtrans-72.6-24.7-179.4-112.999.2000113.3F132 N137 W150F132-L135 HydrophobicContact CB-CB 3.82Å; F132-L135 HydrophobicContact CB-CD1 3.55Å; F132-L135 HydrophobicContact CB-CG 4.27Å; F132-L135 HydrophobicContact CD1-CD1 3.15Å; F132-L135 HydrophobicContact CD2-CD1 4.09Å; F132-L135 HydrophobicContact CE1-CD1 3.68Å; F132-L135 HydrophobicContact CG-CD1 3.37Å; F132-L135 HydrophobicContact CG-CG 4.48Å; F132-L135 HydrophobicContact CZ-CD1 4.32Å; F132-L135 PolarHBondContact O-N 3.07Å; L135-N137 PolarHBondContact O-N 2.89Å; L135-W150 HydrophobicContact CB-CH2 4.16Å
136K47.2Very low50.9Low98 Ų98109.3 Ų109.343%0.42652%0.518SS..G310 helixtrans-61.8-25.2175.9-100.8-171.4174.1-168.40112.5N134 H142N134-K136 VanDerWaalsContact C-N 3.32Å; N134-K136 PolarHBondContact O-N 2.96Å; K136-H142 PolarHBondContact O-CE1 3.33Å; K136-H142 PolarHBondContact O-NE2 3.02Å
137N44.1Very low49.1Very low137 Ų137114.1 Ų114.173%0.73355%0.545SS*.G310 helixtrans-103-9.8-171.7-68.7-0.2000114.6N134 L135N134-N137 PolarHBondContact O-N 3.38Å; L135-N137 PolarHBondContact O-N 2.89Å
138K42.9Very low48.1Very low181 Ų181114 Ų11479%0.78755%0.545SS*.SBendtrans-12820.8-165-77.2-166.4175.4-170.70116.7
139R49Very low48.3Very low79 Ų79115 Ų11530%0.29855%0.547SS..  trans-133.6139175-69.3-166.3175.2177.9-11.7112.8Y141 H142R139-Y141 HydrophobicContact CB-CD2 3.6Å; R139-Y141 HydrophobicContact CB-CE2 3.97Å; R139-Y141 HydrophobicContact CG-CE2 4.45Å; R139-Y141 PolarHBondContact O-N 3.45Å; R139-H142 PolarHBondContact O-CD2 3.48Å
140D42.3Very low48.9Very low172 Ų172115.2 Ų115.292%0.9255%0.548SS*.THydrogen-bonded Turntrans-59.818177.5-72.2-37.2000116.2H142D140-H142 PolarHBondContact O-N 3.35Å
141Y41.8Very low50.5Low72 Ų72113.4 Ų113.428%0.28254%0.536SS..THydrogen-bonded Turntrans-76.8-5.6173.1-65.8-68.9000112.9R139 K143 L153 L156R139-Y141 HydrophobicContact CB-CD2 3.6Å; R139-Y141 HydrophobicContact CB-CE2 3.97Å; R139-Y141 HydrophobicContact CG-CE2 4.45Å; R139-Y141 PolarHBondContact O-N 3.45Å; Y141-K143 VanDerWaalsContact C-N 3.29Å; Y141-K143 PolarHBondContact O-N 2.85Å; Y141-L153 HydrophobicContact CD2-CD2 4.26Å; Y141-L153 HydrophobicContact CG-CD2 4.16Å; Y141-L156 HydrophobicContact CD1-CD1 3.92Å; Y141-L156 HydrophobicContact CE1-CD1 4.45Å
142H43.5Very low52.5Low101 Ų101111 Ų11147%0.46851%0.509SS..  trans-80.371.2-175.5-68-55.2000112.1K136 R139 D140 H144K136-H142 PolarHBondContact O-CE1 3.33Å; K136-H142 PolarHBondContact O-NE2 3.02Å; R139-H142 PolarHBondContact O-CD2 3.48Å; D140-H142 PolarHBondContact O-N 3.35Å; H142-H144 PolarHBondContact O-N 3.18Å
143K45.3Very low54.5Low154 Ų154108.4 Ų108.467%0.6750%0.498SS*.SBendtrans-75.273156.5-74.4-174.6177.9-179.40109.7Y141 R145Y141-K143 VanDerWaalsContact C-N 3.29Å; Y141-K143 PolarHBondContact O-N 2.85Å; K143-R145 PolarHBondContact O-N 2.9Å
144H39Very low56.7Low188 Ų18897.6 Ų97.687%0.8746%0.458SS*.SBendtrans59.931.6164.6-58.485.8000117.3H142H142-H144 PolarHBondContact O-N 3.18Å
145R47.2Very low58.9Low141 Ų14192.6 Ų92.653%0.53243%0.43SS..  trans-118.8119.5176.8-66.8-168.5-177.1-168.92.1112.5K143 N147 V148K143-R145 PolarHBondContact O-N 2.9Å; R145-N147 VanDerWaalsContact C-N 3.28Å; R145-N147 PolarHBondContact O-N 3.18Å; R145-V148 HydrophobicContact CB-CG2 4.41Å
146H41.3Very low60.9Low189 Ų18991.4 Ų91.488%0.87542%0.424SS*.SBendtrans-69.5-13.1-175.4-71.9-79.8000115.4
147N51.8Low62.9Low114 Ų11487.2 Ų87.261%0.6141%0.407SS*.  trans-146.694.9176-79.1-40.7000111.9R145R145-N147 VanDerWaalsContact C-N 3.28Å; R145-N147 PolarHBondContact O-N 3.18Å
148V60.7Low65.1Low23 Ų2380.7 Ų80.714%0.13937%0.372CS..  trans-86.2121.8173.9-170.20000110.1R145 Y152 L153R145-V148 HydrophobicContact CB-CG2 4.41Å; V148-Y152 HydrophobicContact CG1-CD1 3.42Å; V148-Y152 VanDerWaalsContact CG1-CD1 3.42Å; V148-Y152 HydrophobicContact CG1-CE1 4.18Å; V148-Y152 HydrophobicContact CG1-CG 4.27Å; V148-L153 HydrophobicContact CG1-CD1 4.33Å; V148-L153 HydrophobicContact CG1-CD2 3.77Å; V148-L153 HydrophobicContact CG1-CG 3.68Å
149S76Confident67.3Low53 Ų5372.4 Ų72.437%0.37134%0.336SS..  trans-69.1139.3174.61770000110.9L151 Y152 L153S149-L151 PolarHBondContact O-N 3.26Å; S149-L151 VanDerWaalsContact O-N 3.13Å; S149-L151 PolarHBondContact OG-N 3.15Å; S149-Y152 WeakPolarHBondContact O-CA 3.21Å; S149-Y152 WeakPolarHBondContact O-CB 3.46Å; S149-Y152 PolarHBondContact O-N 3.23Å; S149-L153 PolarHBondContact O-N 3.05Å; S149-L153 VanDerWaalsContact O-N 3.12Å
150W83.1Confident69.2Low76 Ų7670.2 Ų70.229%0.28833%0.329SS..Hα-helixtrans-55.4-28.8173.1-69.4117000113.3L127 L135 L153 S154L127-W150 HydrophobicContact CB-CE3 3.9Å; L127-W150 HydrophobicContact CB-CZ3 4.34Å; L135-W150 HydrophobicContact CB-CH2 4.16Å; W150-L153 HydrophobicContact CE3-CD1 3.71Å; W150-L153 HydrophobicContact CZ3-CD1 3.84Å; W150-S154 WeakPolarHBondContact O-CB 3.41Å; W150-S154 PolarHBondContact O-N 3.32Å; W150-S154 PolarHBondContact O-OG 2.95Å
151L87.1Confident71.5Confident16 Ų1662.1 Ų62.18%0.08429%0.285CS..Hα-helixtrans-64.3-41.2173.7-63.5177.8000111.7M27 L75 N77 Y80 S149 S154 R155M27-L151 HydrophobicContact CE-CD1 4.19Å; L75-L151 HydrophobicContact CB-CD1 4.21Å; L75-L151 HydrophobicContact CD2-CD1 4.41Å; N77-L151 WeakPolarHBondContact OD1-CD2 3.49Å; Y80-L151 HydrophobicContact CD1-CB 4.32Å; Y80-L151 HydrophobicContact CD1-CD2 3.77Å; Y80-L151 HydrophobicContact CE1-CB 4.28Å; Y80-L151 HydrophobicContact CG-CD1 4.5Å; Y80-L151 HydrophobicContact CG-CD2 3.98Å; S149-L151 PolarHBondContact O-N 3.26Å; S149-L151 VanDerWaalsContact O-N 3.13Å; S149-L151 PolarHBondContact OG-N 3.15Å; L151-S154 PolarHBondContact O-N 3.38Å; L151-R155 PolarHBondContact O-N 3.28Å
152Y85.6Confident74Confident68 Ų6860 Ų6027%0.26728%0.278SS..Hα-helixtrans-69.1-42.4178.2178.5-97.3000111.4V148 S149 S154 R155 L156V148-Y152 HydrophobicContact CG1-CD1 3.42Å; V148-Y152 VanDerWaalsContact CG1-CD1 3.42Å; V148-Y152 HydrophobicContact CG1-CE1 4.18Å; V148-Y152 HydrophobicContact CG1-CG 4.27Å; S149-Y152 WeakPolarHBondContact O-CA 3.21Å; S149-Y152 WeakPolarHBondContact O-CB 3.46Å; S149-Y152 PolarHBondContact O-N 3.23Å; Y152-S154 VanDerWaalsContact C-N 3.31Å; Y152-S154 PolarHBondContact O-N 3.25Å; Y152-R155 WeakPolarHBondContact O-CB 3.47Å; Y152-R155 PolarHBondContact O-N 2.82Å; Y152-L156 HydrophobicContact CD1-CD1 4Å; Y152-L156 HydrophobicContact CD1-CG 4.32Å; Y152-L156 HydrophobicContact CE1-CD1 3.42Å; Y152-L156 VanDerWaalsContact CE1-CD1 3.42Å; Y152-L156 HydrophobicContact CE1-CD2 4.46Å; Y152-L156 HydrophobicContact CE1-CG 3.94Å; Y152-L156 PolarHBondContact O-N 3.29Å
153L85.3Confident76.2Confident24 Ų2456 Ų5613%0.12626%0.262CS..Hα-helixtrans-61.7-40.5173.9-67.6173.4000111.8L127 Y141 V148 S149 W150 R155 L156 S157L127-L153 HydrophobicContact CD2-CB 3.69Å; Y141-L153 HydrophobicContact CD2-CD2 4.26Å; Y141-L153 HydrophobicContact CG-CD2 4.16Å; V148-L153 HydrophobicContact CG1-CD1 4.33Å; V148-L153 HydrophobicContact CG1-CD2 3.77Å; V148-L153 HydrophobicContact CG1-CG 3.68Å; S149-L153 PolarHBondContact O-N 3.05Å; S149-L153 VanDerWaalsContact O-N 3.12Å; W150-L153 HydrophobicContact CE3-CD1 3.71Å; W150-L153 HydrophobicContact CZ3-CD1 3.84Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.39Å; L153-L156 PolarHBondContact O-N 2.7Å; L153-S157 PolarHBondContact O-N 3.15Å
154S90Very high78.5Confident2 Ų248.7 Ų48.71%0.01423%0.23CC..Hα-helixtrans-63.3-35.7176.3-56.90000112.2L127 W150 L151 Y152 A158L127-S154 PolarHBondContact N-OG 3.5Å; L127-S154 VanDerWaalsContact N-OG 3.16Å; W150-S154 WeakPolarHBondContact O-CB 3.41Å; W150-S154 PolarHBondContact O-N 3.32Å; W150-S154 PolarHBondContact O-OG 2.95Å; L151-S154 PolarHBondContact O-N 3.38Å; Y152-S154 VanDerWaalsContact C-N 3.31Å; Y152-S154 PolarHBondContact O-N 3.25Å; S154-A158 PolarHBondContact O-N 3Å; S154-A158 VanDerWaalsContact O-N 3.11Å
155R89.3Confident81.1Confident14 Ų1439.8 Ų39.85%0.05319%0.189CC..Hα-helixtrans-64.2-48.6172.1175.9178.4-179.2-150-1112.1L151 Y152 L153 S157 A158 M159 D313L151-R155 PolarHBondContact O-N 3.28Å; Y152-R155 WeakPolarHBondContact O-CB 3.47Å; Y152-R155 PolarHBondContact O-N 2.82Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.39Å; R155-S157 VanDerWaalsContact C-N 3.27Å; R155-S157 PolarHBondContact O-N 3.29Å; R155-A158 PolarHBondContact O-N 3Å; R155-M159 HydrophobicContact CG-CG 4.45Å; R155-M159 HydrophobicContact CG-SD 3.87Å; R155-M159 WeakPolarHBondContact O-CB 3.43Å; R155-M159 VanDerWaalsContact O-CG 3.3Å; R155-M159 WeakPolarHBondContact O-CG 3.49Å; R155-M159 PolarHBondContact O-N 3.2Å; R155-D313 IonicContact CZ-OD1 2.7Å; R155-D313 IonicContact NH1-OD1 3.15Å; R155-D313 PolarHBondContact NH1-OD1 3.12Å; R155-D313 IonicContact NH2-OD1 3.66Å; R155-D313 PolarHBondContact NH2-OD1 3.48Å
156L86.1Confident83.3Confident18 Ų1837 Ų379%0.09418%0.181CC..Hα-helixtrans-60.3-39.2178-69.4-178000111.9Y141 Y152 L153 M159 K160 Y305Y141-L156 HydrophobicContact CD1-CD1 3.92Å; Y141-L156 HydrophobicContact CE1-CD1 4.45Å; Y152-L156 HydrophobicContact CD1-CD1 4Å; Y152-L156 HydrophobicContact CD1-CG 4.32Å; Y152-L156 HydrophobicContact CE1-CD1 3.42Å; Y152-L156 VanDerWaalsContact CE1-CD1 3.42Å; Y152-L156 HydrophobicContact CE1-CD2 4.46Å; Y152-L156 HydrophobicContact CE1-CG 3.94Å; Y152-L156 PolarHBondContact O-N 3.29Å; L153-L156 PolarHBondContact O-N 2.7Å; L156-M159 PolarHBondContact O-N 2.98Å; L156-K160 WeakPolarHBondContact O-CB 3.41Å; L156-K160 PolarHBondContact O-N 2.79Å; L156-Y305 HydrophobicContact CD2-CE2 3.79Å
157S88.8Confident85.7Confident9 Ų928.2 Ų28.26%0.06314%0.141CC..Hα-helixtrans-60.9-48.6175.8-166.60000111.9H125 L153 R155 M159 K160 E161 P248H125-S157 PolarHBondContact CD2-OG 2.82Å; L153-S157 PolarHBondContact O-N 3.15Å; R155-S157 VanDerWaalsContact C-N 3.27Å; R155-S157 PolarHBondContact O-N 3.29Å; S157-M159 VanDerWaalsContact C-N 3.33Å; S157-M159 PolarHBondContact O-N 2.69Å; S157-K160 PolarHBondContact O-N 2.93Å; S157-E161 WeakPolarHBondContact O-CB 3.17Å; S157-E161 PolarHBondContact O-N 3.21Å; S157-P248 WeakPolarHBondContact OG-CB 3.47Å
158A91.7Very high87.7Confident0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-63-39.7178.300000112.7H125 S154 R155 F162 R183 V186H125-A158 VanDerWaalsContact CE1-CA 3.44Å; H125-A158 WeakPolarHBondContact CE1-CA 3.37Å; H125-A158 WeakPolarHBondContact ND1-CB 3.35Å; S154-A158 PolarHBondContact O-N 3Å; S154-A158 VanDerWaalsContact O-N 3.11Å; R155-A158 PolarHBondContact O-N 3Å; A158-F162 WeakPolarHBondContact O-CB 3.46Å; A158-F162 PolarHBondContact O-N 2.91Å; A158-R183 WeakPolarHBondContact CB-O 3.3Å; A158-V186 HydrophobicContact CB-CG2 3.82Å; A158-V186 WeakPolarHBondContact O-CG2 3.5Å
159M89.2Confident89.3Confident7 Ų726.4 Ų26.43%0.03412%0.124CC..Hα-helixtrans-60.7-51.7173.9-73.6175.665.900110.7R155 L156 S157 E161 F162 A163 Y181 M309R155-M159 HydrophobicContact CG-CG 4.45Å; R155-M159 HydrophobicContact CG-SD 3.87Å; R155-M159 WeakPolarHBondContact O-CB 3.43Å; R155-M159 VanDerWaalsContact O-CG 3.3Å; R155-M159 WeakPolarHBondContact O-CG 3.49Å; R155-M159 PolarHBondContact O-N 3.2Å; L156-M159 PolarHBondContact O-N 2.98Å; S157-M159 VanDerWaalsContact C-N 3.33Å; S157-M159 PolarHBondContact O-N 2.69Å; M159-E161 VanDerWaalsContact C-N 3.35Å; M159-E161 PolarHBondContact O-N 2.77Å; M159-F162 PolarHBondContact O-N 3.43Å; M159-A163 PolarHBondContact O-N 3.49Å; M159-Y181 HydrophobicContact CG-CD2 4.18Å; M159-Y181 HydrophobicContact CG-CE2 3.82Å; M159-M309 HydrophobicContact CB-CE 3.64Å; M159-M309 HydrophobicContact CB-SD 4.02Å; M159-M309 HydrophobicContact CE-CB 3.61Å; M159-M309 HydrophobicContact CE-CE 4.27Å; M159-M309 HydrophobicContact CE-CG 3.82Å; M159-M309 HydrophobicContact CE-SD 3.82Å; M159-M309 HydrophobicContact CG-CE 4.12Å; M159-M309 WeakPolarHBondContact O-CE 3.23Å
160K88Confident90.1Very high33 Ų3329 Ų2914%0.14313%0.13CC..Hα-helixtrans-59.5-44.4179.2-175165.9172.2169.60111.8L156 S157 A163 Y164 P248 M250 A302L156-K160 WeakPolarHBondContact O-CB 3.41Å; L156-K160 PolarHBondContact O-N 2.79Å; S157-K160 PolarHBondContact O-N 2.93Å; K160-A163 PolarHBondContact O-N 3.11Å; K160-Y164 HydrophobicContact CD-CE2 4.04Å; K160-Y164 WeakPolarHBondContact CE-OH 3.2Å; K160-Y164 HydrophobicContact CG-CD2 3.87Å; K160-Y164 HydrophobicContact CG-CE2 3.5Å; K160-Y164 WeakPolarHBondContact O-CD2 3.31Å; K160-Y164 PolarHBondContact O-N 3.41Å; K160-Y164 VanDerWaalsContact O-N 3.11Å; K160-P248 WeakPolarHBondContact CE-O 3.36Å; K160-M250 PolarHBondContact NZ-O 3.15Å; K160-A302 PolarHBondContact NZ-O 3.06Å
161E91.7Very high90.5Very high2 Ų229.8 Ų29.81%0.00913%0.133CC..Hα-helixtrans-61.2-47.3177-176.8176.7-164.400112.3K123 H125 S157 M159 A163 Y164 M165 F247K123-E161 WeakPolarHBondContact CD-OE2 3.37Å; K123-E161 VanDerWaalsContact CE-OE2 3.28Å; K123-E161 WeakPolarHBondContact CE-OE2 3.3Å; K123-E161 VanDerWaalsContact NZ-CD 3.28Å; K123-E161 IonicContact NZ-OE1 3.9Å; K123-E161 PolarHBondContact NZ-OE1 2.85Å; K123-E161 IonicContact NZ-OE2 3.68Å; K123-E161 PolarHBondContact NZ-OE2 2.96Å; H125-E161 IonicContact CE1-OE2 2.93Å; H125-E161 PolarHBondContact CE1-OE2 3.06Å; H125-E161 IonicContact NE2-OE2 3.69Å; H125-E161 PolarHBondContact NE2-OE2 2.84Å; S157-E161 WeakPolarHBondContact O-CB 3.17Å; S157-E161 PolarHBondContact O-N 3.21Å; M159-E161 VanDerWaalsContact C-N 3.35Å; M159-E161 PolarHBondContact O-N 2.77Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.12Å; E161-Y164 PolarHBondContact O-N 2.9Å; E161-M165 HydrophobicContact CG-CE 4.21Å; E161-M165 VanDerWaalsContact O-CB 3.31Å; E161-M165 WeakPolarHBondContact O-CB 3.38Å; E161-M165 PolarHBondContact O-N 2.87Å; E161-F247 HydrophobicContact CG-CB 4.48Å; E161-F247 HydrophobicContact CG-CD2 4.31Å
162F93.3Very high90.8Very high28 Ų2837.6 Ų37.612%0.12317%0.167CC..Hα-helixtrans-63.3-39.5179.2-176.1-96.1000112.2A158 M159 M165 K166 P178 Y181 V186A158-F162 WeakPolarHBondContact O-CB 3.46Å; A158-F162 PolarHBondContact O-N 2.91Å; M159-F162 PolarHBondContact O-N 3.43Å; F162-M165 PolarHBondContact O-N 2.87Å; F162-K166 WeakPolarHBondContact O-CB 3.49Å; F162-K166 PolarHBondContact O-N 3.23Å; F162-P178 HydrophobicContact CD2-CB 3.98Å; F162-P178 HydrophobicContact CE2-CB 3.61Å; F162-P178 HydrophobicContact CZ-CB 4.23Å; F162-Y181 HydrophobicContact CB-CD1 4.49Å; F162-Y181 HydrophobicContact CB-CG 4.2Å; F162-Y181 AromaticContact CD1-CD1 3.38Å; F162-Y181 HydrophobicContact CD1-CD1 3.38Å; F162-Y181 AromaticContact CD1-CE1 3.95Å; F162-Y181 HydrophobicContact CD1-CE1 3.95Å; F162-Y181 AromaticContact CD1-CG 3.95Å; F162-Y181 HydrophobicContact CD1-CG 3.95Å; F162-Y181 HydrophobicContact CD2-CD1 4.24Å; F162-Y181 HydrophobicContact CD2-CG 4.34Å; F162-Y181 AromaticContact CE1-CD1 3.48Å; F162-Y181 HydrophobicContact CE1-CD1 3.48Å; F162-Y181 VanDerWaalsContact CE1-CD1 3.48Å; F162-Y181 AromaticContact CE1-CE1 3.97Å; F162-Y181 HydrophobicContact CE1-CE1 3.97Å; F162-Y181 HydrophobicContact CE1-CG 4.4Å; F162-Y181 HydrophobicContact CE2-CD1 4.29Å; F162-Y181 AromaticContact CG-CD1 3.79Å; F162-Y181 HydrophobicContact CG-CD1 3.79Å; F162-Y181 AromaticContact CG-CG 3.9Å; F162-Y181 HydrophobicContact CG-CG 3.9Å; F162-Y181 AromaticContact CZ-CD1 3.93Å; F162-Y181 HydrophobicContact CZ-CD1 3.93Å; F162-V186 HydrophobicContact CB-CG1 4.47Å; F162-V186 HydrophobicContact CB-CG2 4.49Å; F162-V186 HydrophobicContact CD2-CG1 4.06Å
163A90.8Very high91.3Very high17 Ų1734.7 Ų34.714%0.1416%0.155CC..Hα-helixtrans-62.7-46.1178.200000111.9M159 K160 E161 K166 A167 V300 M309M159-A163 PolarHBondContact O-N 3.49Å; K160-A163 PolarHBondContact O-N 3.11Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.12Å; A163-K166 PolarHBondContact O-N 3.5Å; A163-A167 WeakPolarHBondContact O-CB 3.21Å; A163-A167 PolarHBondContact O-N 2.93Å; A163-V300 HydrophobicContact CB-CG1 3.86Å; A163-M309 HydrophobicContact CB-CE 4.1Å; A163-M309 HydrophobicContact CB-SD 4.33Å
164Y91.9Very high91.8Very high0 Ų035.5 Ų35.50%016%0.162CC..Hα-helixtrans-65.6-44.6174.9-74-57.2000112.4K160 E161 K166 A167 L168 L224 F247 M250 V300 A302K160-Y164 HydrophobicContact CD-CE2 4.04Å; K160-Y164 WeakPolarHBondContact CE-OH 3.2Å; K160-Y164 HydrophobicContact CG-CD2 3.87Å; K160-Y164 HydrophobicContact CG-CE2 3.5Å; K160-Y164 WeakPolarHBondContact O-CD2 3.31Å; K160-Y164 PolarHBondContact O-N 3.41Å; K160-Y164 VanDerWaalsContact O-N 3.11Å; E161-Y164 PolarHBondContact O-N 2.9Å; Y164-K166 VanDerWaalsContact C-N 3.26Å; Y164-K166 PolarHBondContact O-N 3.27Å; Y164-A167 PolarHBondContact O-N 2.96Å; Y164-L168 VanDerWaalsContact O-CB 3.31Å; Y164-L168 WeakPolarHBondContact O-CB 3.3Å; Y164-L168 WeakPolarHBondContact O-CG 3.22Å; Y164-L168 PolarHBondContact O-N 3.43Å; Y164-L224 HydrophobicContact CD1-CD1 4.2Å; Y164-L224 HydrophobicContact CD1-CD2 4.46Å; Y164-L224 HydrophobicContact CE1-CD1 4.31Å; Y164-L224 HydrophobicContact CE1-CD2 3.76Å; Y164-F247 HydrophobicContact CD2-CB 4.07Å; Y164-F247 WeakPolarHBondContact CD2-O 3.49Å; Y164-F247 WeakPolarHBondContact CE2-O 3.28Å; Y164-F247 HydrophobicContact CG-CB 4.25Å; Y164-M250 HydrophobicContact CD1-SD 3.86Å; Y164-M250 HydrophobicContact CD2-CB 4.24Å; Y164-M250 HydrophobicContact CD2-CG 4.36Å; Y164-M250 HydrophobicContact CD2-SD 4Å; Y164-M250 HydrophobicContact CE1-CB 4.25Å; Y164-M250 HydrophobicContact CE1-SD 4.33Å; Y164-M250 HydrophobicContact CE2-CB 3.68Å; Y164-M250 HydrophobicContact CE2-CG 4.28Å; Y164-M250 HydrophobicContact CE2-SD 4.34Å; Y164-M250 HydrophobicContact CG-SD 3.72Å; Y164-M250 PolarHBondContact OH-O 3.47Å; Y164-V300 HydrophobicContact CD1-CB 3.96Å; Y164-V300 HydrophobicContact CD1-CG1 3.45Å; Y164-V300 VanDerWaalsContact CD1-CG1 3.45Å; Y164-V300 HydrophobicContact CD1-CG2 3.95Å; Y164-V300 HydrophobicContact CD2-CG1 4.47Å; Y164-V300 HydrophobicContact CE1-CB 3.77Å; Y164-V300 HydrophobicContact CE1-CG1 3.39Å; Y164-V300 HydrophobicContact CE1-CG2 4.23Å; Y164-V300 HydrophobicContact CG-CG1 3.99Å; Y164-A302 HydrophobicContact CE1-CB 4.5Å; Y164-A302 WeakPolarHBondContact OH-CA 3.36Å; Y164-A302 VanDerWaalsContact OH-CB 3.23Å; Y164-A302 WeakPolarHBondContact OH-CB 3.44Å; Y164-A302 PolarHBondContact OH-O 2.92Å
165M93.9Very high92Very high1 Ų135.9 Ų35.91%0.00516%0.164CC..Hα-helixtrans-58.1-41.9179.2-170.9-177.9-62.700111.3E161 F162 Y169 P176 P178 M188 F247E161-M165 HydrophobicContact CG-CE 4.21Å; E161-M165 VanDerWaalsContact O-CB 3.31Å; E161-M165 WeakPolarHBondContact O-CB 3.38Å; E161-M165 PolarHBondContact O-N 2.87Å; F162-M165 PolarHBondContact O-N 2.87Å; M165-Y169 WeakPolarHBondContact O-CB 3.33Å; M165-Y169 PolarHBondContact O-N 2.9Å; M165-P176 HydrophobicContact CE-CG 4.4Å; M165-P176 WeakPolarHBondContact CG-O 3.38Å; M165-P176 HydrophobicContact SD-CG 4.44Å; M165-P178 HydrophobicContact CB-CB 4.4Å; M165-P178 HydrophobicContact CG-CB 3.96Å; M165-P178 HydrophobicContact CG-CG 4.13Å; M165-P178 HydrophobicContact SD-CB 3.82Å; M165-M188 HydrophobicContact CE-CB 4.31Å; M165-M188 HydrophobicContact CE-CE 3.78Å; M165-M188 HydrophobicContact CE-SD 3.76Å; M165-M188 HydrophobicContact SD-CB 3.8Å; M165-M188 HydrophobicContact SD-SD 4.46Å; M165-F247 HydrophobicContact CB-CD2 4.03Å; M165-F247 HydrophobicContact CB-CE2 4.08Å; M165-F247 HydrophobicContact CE-CD2 4.29Å; M165-F247 HydrophobicContact CE-CE2 4.08Å; M165-F247 HydrophobicContact CG-CE2 4.14Å
166K93Very high92.4Very high83 Ų8335.3 Ų35.336%0.36116%0.162SC..Hα-helixtrans-62.5-51.8174.6-174-177.1173-166.80111.9F162 A163 Y164 L168 Y169 E170 P178F162-K166 WeakPolarHBondContact O-CB 3.49Å; F162-K166 PolarHBondContact O-N 3.23Å; A163-K166 PolarHBondContact O-N 3.5Å; Y164-K166 VanDerWaalsContact C-N 3.26Å; Y164-K166 PolarHBondContact O-N 3.27Å; K166-L168 PolarHBondContact O-N 3.25Å; K166-Y169 PolarHBondContact O-N 2.96Å; K166-E170 WeakPolarHBondContact CE-OE1 3.32Å; K166-E170 WeakPolarHBondContact CG-OE1 3.44Å; K166-E170 WeakPolarHBondContact O-CG 3.37Å; K166-E170 PolarHBondContact O-N 3.43Å; K166-P178 HydrophobicContact CB-CG 4.15Å
167A92Very high92.8Very high5 Ų538.9 Ų38.94%0.04118%0.177CC..Hα-helixtrans-59.8-45.3179.800000112A163 Y164 E170 R171 L296 V300A163-A167 WeakPolarHBondContact O-CB 3.21Å; A163-A167 PolarHBondContact O-N 2.93Å; Y164-A167 PolarHBondContact O-N 2.96Å; A167-E170 PolarHBondContact O-N 3.01Å; A167-R171 WeakPolarHBondContact O-CG 3.44Å; A167-R171 PolarHBondContact O-N 3.36Å; A167-L296 HydrophobicContact CB-CD2 4.45Å; A167-V300 HydrophobicContact CB-CG2 3.54Å
168L93.8Very high93.2Very high0 Ų039.4 Ų39.40%018%0.18CC..Hα-helixtrans-65.7-42.2178.8-68.8174.3000111.9Y164 K166 E170 R171 K172 F173 V175 L219 L224 F247 M250 L296Y164-L168 VanDerWaalsContact O-CB 3.31Å; Y164-L168 WeakPolarHBondContact O-CB 3.3Å; Y164-L168 WeakPolarHBondContact O-CG 3.22Å; Y164-L168 PolarHBondContact O-N 3.43Å; K166-L168 PolarHBondContact O-N 3.25Å; L168-E170 PolarHBondContact O-N 3.19Å; L168-R171 CarbonylContact O-C 2.98Å; L168-R171 PolarHBondContact O-N 2.83Å; L168-K172 PolarHBondContact O-N 3.08Å; L168-F173 HydrophobicContact CB-CB 4.09Å; L168-F173 HydrophobicContact CB-CD2 4.33Å; L168-F173 HydrophobicContact CB-CG 4.42Å; L168-F173 HydrophobicContact CD2-CB 4.49Å; L168-F173 HydrophobicContact CD2-CD1 4.43Å; L168-F173 HydrophobicContact CD2-CD2 3.75Å; L168-F173 HydrophobicContact CD2-CE2 3.98Å; L168-F173 HydrophobicContact CD2-CG 3.98Å; L168-F173 HydrophobicContact CD2-CZ 4.38Å; L168-F173 WeakPolarHBondContact O-CB 3.39Å; L168-F173 WeakPolarHBondContact O-CD2 3.22Å; L168-F173 PolarHBondContact O-N 2.87Å; L168-V175 HydrophobicContact CB-CG1 4Å; L168-V175 HydrophobicContact CB-CG2 3.98Å; L168-V175 HydrophobicContact CD1-CG1 4.15Å; L168-L219 HydrophobicContact CD1-CD2 4.48Å; L168-L219 HydrophobicContact CD2-CD2 3.55Å; L168-L224 HydrophobicContact CD2-CD1 4.27Å; L168-F247 HydrophobicContact CD1-CD1 3.83Å; L168-F247 HydrophobicContact CD1-CE1 3.81Å; L168-F247 HydrophobicContact CD1-CG 4.23Å; L168-F247 HydrophobicContact CD1-CZ 4.18Å; L168-M250 HydrophobicContact CD1-CE 4.23Å; L168-M250 HydrophobicContact CD1-SD 4.17Å; L168-L296 HydrophobicContact CD2-CD1 4.34Å
169Y94.6Very high93.3Very high99 Ų9942.2 Ų42.239%0.38820%0.195SC..Hα-helixtrans-62.9-42.7178.3-173.1-98.2000111.9M165 K166 R171 K172 V175 K177M165-Y169 WeakPolarHBondContact O-CB 3.33Å; M165-Y169 PolarHBondContact O-N 2.9Å; K166-Y169 PolarHBondContact O-N 2.96Å; Y169-R171 PolarHBondContact O-N 3.26Å; Y169-K172 PolarHBondContact O-N 3.48Å; Y169-V175 HydrophobicContact CD2-CG2 4.22Å; Y169-K177 HydrophobicContact CD2-CB 4.21Å; Y169-K177 HydrophobicContact CE1-CD 4.45Å; Y169-K177 HydrophobicContact CE1-CG 3.94Å; Y169-K177 HydrophobicContact CE2-CB 3.62Å; Y169-K177 HydrophobicContact CE2-CG 3.96Å
170E92.2Very high93.7Very high108 Ų10843 Ų4351%0.50520%0.199SC..Hα-helixtrans-63.6-30.6177-72.3175.3-17000112.5K166 A167 L168 K172K166-E170 WeakPolarHBondContact CE-OE1 3.32Å; K166-E170 WeakPolarHBondContact CG-OE1 3.44Å; K166-E170 WeakPolarHBondContact O-CG 3.37Å; K166-E170 PolarHBondContact O-N 3.43Å; A167-E170 PolarHBondContact O-N 3.01Å; L168-E170 PolarHBondContact O-N 3.19Å; E170-K172 VanDerWaalsContact C-N 3.27Å; E170-K172 PolarHBondContact O-N 3.13Å
171R92.2Very high94Very high91 Ų9143 Ų4334%0.34320%0.198SC..THydrogen-bonded Turntrans-87.512.9173.9-55.8-50.1177.6126.313.9114A167 L168 Y169 F173 D294 L296 E299A167-R171 WeakPolarHBondContact O-CG 3.44Å; A167-R171 PolarHBondContact O-N 3.36Å; L168-R171 CarbonylContact O-C 2.98Å; L168-R171 PolarHBondContact O-N 2.83Å; Y169-R171 PolarHBondContact O-N 3.26Å; R171-F173 VanDerWaalsContact C-N 3.28Å; R171-F173 HydrophobicContact CB-CD2 3.82Å; R171-F173 HydrophobicContact CB-CE2 3.85Å; R171-F173 PolarHBondContact O-N 3.36Å; R171-D294 IonicContact CZ-OD2 3.17Å; R171-D294 IonicContact NE-OD2 2.68Å; R171-D294 IonicContact NH1-OD2 3.26Å; R171-D294 PolarHBondContact NH1-OD2 2.77Å; R171-D294 IonicContact NH2-OD1 3.16Å; R171-D294 IonicContact NH2-OD2 3.42Å; R171-D294 PolarHBondContact NH2-OD2 3.2Å; R171-D294 VanDerWaalsContact NH2-OD2 3.14Å; R171-L296 HydrophobicContact CG-CD1 4.1Å; R171-L296 HydrophobicContact CG-CD2 4.02Å; R171-E299 IonicContact NH2-OE2 2.69Å; R171-E299 PolarHBondContact NH2-OE2 3.14Å
172K93.5Very high94.1Very high181 Ų18143.2 Ų43.279%0.78720%0.199SC*.THydrogen-bonded Turntrans59.335.2176.7-50.4177.6-179.4177.20113.2L168 Y169 E170L168-K172 PolarHBondContact O-N 3.08Å; Y169-K172 PolarHBondContact O-N 3.48Å; E170-K172 VanDerWaalsContact C-N 3.27Å; E170-K172 PolarHBondContact O-N 3.13Å
173F95.4Very high94.1Very high7 Ų742.4 Ų42.43%0.03120%0.196CC..  trans-74.2150.4163.4-75.2-94.2000109.8L168 R171 V175 K218 L219 H222 M244L168-F173 HydrophobicContact CB-CB 4.09Å; L168-F173 HydrophobicContact CB-CD2 4.33Å; L168-F173 HydrophobicContact CB-CG 4.42Å; L168-F173 HydrophobicContact CD2-CB 4.49Å; L168-F173 HydrophobicContact CD2-CD1 4.43Å; L168-F173 HydrophobicContact CD2-CD2 3.75Å; L168-F173 HydrophobicContact CD2-CE2 3.98Å; L168-F173 HydrophobicContact CD2-CG 3.98Å; L168-F173 HydrophobicContact CD2-CZ 4.38Å; L168-F173 WeakPolarHBondContact O-CB 3.39Å; L168-F173 WeakPolarHBondContact O-CD2 3.22Å; L168-F173 PolarHBondContact O-N 2.87Å; R171-F173 VanDerWaalsContact C-N 3.28Å; R171-F173 HydrophobicContact CB-CD2 3.82Å; R171-F173 HydrophobicContact CB-CE2 3.85Å; R171-F173 PolarHBondContact O-N 3.36Å; F173-V175 VanDerWaalsContact C-N 3.27Å; F173-V175 HydrophobicContact CB-CG1 4.09Å; F173-V175 PolarHBondContact O-N 2.98Å; F173-K218 HydrophobicContact CD1-CD 4.11Å; F173-K218 HydrophobicContact CD1-CG 4.46Å; F173-K218 HydrophobicContact CE1-CB 3.89Å; F173-K218 HydrophobicContact CE1-CD 3.63Å; F173-K218 HydrophobicContact CE1-CG 3.52Å; F173-K218 HydrophobicContact CZ-CB 4.36Å; F173-K218 HydrophobicContact CZ-CD 4.04Å; F173-K218 HydrophobicContact CZ-CG 3.66Å; F173-L219 HydrophobicContact CD1-CD2 4.14Å; F173-L219 HydrophobicContact CD1-CG 4.48Å; F173-L219 HydrophobicContact CE1-CD2 3.76Å; F173-L219 HydrophobicContact CE1-CG 3.96Å; F173-L219 HydrophobicContact CZ-CD2 4.19Å; F173-H222 AromaticContact CE2-CD2 3.83Å; F173-H222 HydrophobicContact CZ-CB 4.34Å; F173-H222 AromaticContact CZ-CD2 3.52Å; F173-H222 AromaticContact CZ-CG 3.97Å; F173-M244 HydrophobicContact CB-CE 4.17Å; F173-M244 HydrophobicContact CD1-CE 3.84Å; F173-M244 HydrophobicContact CG-CE 4.44Å
174P95.6Very high94.3Very high40 Ų4041.7 Ų41.726%0.2619%0.189SC..SBendtrans-75.985.3174.633.2-35000109.3L215 I242 M244P174-L215 HydrophobicContact CG-CD1 3.93Å; P174-L215 HydrophobicContact CG-CD2 3.58Å; P174-L215 HydrophobicContact CG-CG 4.42Å; P174-I242 WeakPolarHBondContact CB-O 3.34Å; P174-I242 WeakPolarHBondContact CG-O 3.38Å; P174-M244 HydrophobicContact CG-CE 4.34Å; P174-M244 PolarHBondContact O-N 3.14Å
175V96.1Very high94.5Very high10 Ų1041.7 Ų41.76%0.06119%0.189CC..  trans-132151177.1-58.90000108.5L168 Y169 F173 K177 M244 F247L168-V175 HydrophobicContact CB-CG1 4Å; L168-V175 HydrophobicContact CB-CG2 3.98Å; L168-V175 HydrophobicContact CD1-CG1 4.15Å; Y169-V175 HydrophobicContact CD2-CG2 4.22Å; F173-V175 VanDerWaalsContact C-N 3.27Å; F173-V175 HydrophobicContact CB-CG1 4.09Å; F173-V175 PolarHBondContact O-N 2.98Å; V175-K177 PolarHBondContact O-N 3.13Å; V175-M244 HydrophobicContact CG1-CB 4.39Å; V175-M244 HydrophobicContact CG1-CE 4.12Å; V175-F247 HydrophobicContact CB-CE2 4.31Å; V175-F247 HydrophobicContact CB-CZ 3.93Å; V175-F247 HydrophobicContact CG1-CE1 4.11Å; V175-F247 HydrophobicContact CG1-CE2 4.25Å; V175-F247 HydrophobicContact CG1-CZ 3.48Å; V175-F247 VanDerWaalsContact CG1-CZ 3.48Å
176P96.1Very high94.6Very high2 Ų241.6 Ų41.61%0.01319%0.189CC..PPolyproline II helixtrans-60.1141.6176.614.7-20.3000110.9M165 P178 M188 E189 I191 M244 I245M165-P176 HydrophobicContact CE-CG 4.4Å; M165-P176 WeakPolarHBondContact CG-O 3.38Å; M165-P176 HydrophobicContact SD-CG 4.44Å; P176-P178 WeakPolarHBondContact O-CD 3.44Å; P176-M188 HydrophobicContact CB-CB 4.22Å; P176-M188 HydrophobicContact CB-CG 4.28Å; P176-M188 HydrophobicContact CB-SD 4.4Å; P176-M188 HydrophobicContact CG-CG 4.47Å; P176-M188 HydrophobicContact CG-SD 3.96Å; P176-E189 HydrophobicContact CB-CB 4.25Å; P176-I191 HydrophobicContact CB-CD1 3.64Å; P176-I191 HydrophobicContact CB-CG1 4.04Å; P176-I191 HydrophobicContact CG-CD1 3.68Å; P176-M244 VanDerWaalsContact CD-O 3.28Å; P176-M244 WeakPolarHBondContact CD-O 3.37Å; P176-I245 HydrophobicContact CG-CG2 4.06Å
177K95.9Very high94.8Very high93 Ų9337.7 Ų37.740%0.40417%0.172SC..PPolyproline II helixtrans-61.9123.8177.1-176.6-179.3-177.71780110.7Y169 V175 I179 M188 E189Y169-K177 HydrophobicContact CD2-CB 4.21Å; Y169-K177 HydrophobicContact CE1-CD 4.45Å; Y169-K177 HydrophobicContact CE1-CG 3.94Å; Y169-K177 HydrophobicContact CE2-CB 3.62Å; Y169-K177 HydrophobicContact CE2-CG 3.96Å; V175-K177 PolarHBondContact O-N 3.13Å; K177-I179 HydrophobicContact CD-CD1 4.2Å; K177-I179 HydrophobicContact CG-CD1 4.18Å; K177-M188 CarbonylContact O-C 3.48Å; K177-M188 WeakPolarHBondContact O-CA 3.4Å; K177-E189 HydrophobicContact CB-CB 3.95Å; K177-E189 VanDerWaalsContact CB-OE2 3.22Å; K177-E189 WeakPolarHBondContact CB-OE2 3.4Å; K177-E189 PolarHBondContact N-OE2 3.14Å; K177-E189 PolarHBondContact O-N 3.36Å
178P95.6Very high95Very high20 Ų2038.1 Ų38.113%0.1317%0.173CC..EExtended strand (participates in β ladder)trans-74.5130.6174.526.2-27.6000110.2F162 M165 K166 P176F162-P178 HydrophobicContact CD2-CB 3.98Å; F162-P178 HydrophobicContact CE2-CB 3.61Å; F162-P178 HydrophobicContact CZ-CB 4.23Å; M165-P178 HydrophobicContact CB-CB 4.4Å; M165-P178 HydrophobicContact CG-CB 3.96Å; M165-P178 HydrophobicContact CG-CG 4.13Å; M165-P178 HydrophobicContact SD-CB 3.82Å; K166-P178 HydrophobicContact CB-CG 4.15Å; P176-P178 WeakPolarHBondContact O-CD 3.44Å
179I95.7Very high95.1Very high60 Ų6042.3 Ų42.331%0.30819%0.193SC..EExtended strand (participates in β ladder)trans-104.9-58.7-178.1-53.7-60.6000111.1V93 F120 K177 V187V93-I179 HydrophobicContact CG1-CG2 3.83Å; F120-I179 HydrophobicContact CD1-CD1 4.4Å; F120-I179 HydrophobicContact CD1-CG1 3.99Å; F120-I179 HydrophobicContact CE1-CD1 4.06Å; F120-I179 HydrophobicContact CE1-CG1 4.11Å; K177-I179 HydrophobicContact CD-CD1 4.2Å; K177-I179 HydrophobicContact CG-CD1 4.18Å; I179-V187 HydrophobicContact CB-CB 4.33Å; I179-V187 HydrophobicContact CB-CG1 4.08Å; I179-V187 WeakPolarHBondContact CB-O 3.35Å; I179-V187 HydrophobicContact CG1-CG1 4.44Å; I179-V187 HydrophobicContact CG2-CG1 4.43Å; I179-V187 PolarHBondContact N-O 3.2Å
180D95.6Very high95.1Very high24 Ų2439.9 Ų39.913%0.12819%0.186CC..EExtended strand (participates in β ladder)trans-156.6160.2179.1-16511.6000110.4L88 R91 V93 V187L88-D180 HydrophobicContact CD2-CB 4.11Å; L88-D180 WeakPolarHBondContact CD2-OD2 3.38Å; R91-D180 WeakPolarHBondContact CD-OD2 3.47Å; R91-D180 IonicContact CZ-OD2 3.76Å; R91-D180 IonicContact NE-OD2 3.88Å; R91-D180 VanDerWaalsContact NH1-CG 3.28Å; R91-D180 IonicContact NH1-OD1 2.7Å; R91-D180 PolarHBondContact NH1-OD1 2.5Å; R91-D180 IonicContact NH1-OD2 2.66Å; R91-D180 PolarHBondContact NH1-OD2 3.35Å; V93-D180 HydrophobicContact CG1-CB 4.26Å; V93-D180 HydrophobicContact CG2-CB 4.09Å; D180-V187 PolarHBondContact N-O 3.18Å; D180-V187 PolarHBondContact O-N 3.34Å
181Y94.4Very high95.2Very high33 Ų3336.6 Ų36.613%0.12917%0.172CC..EExtended strand (participates in β ladder)trans-135.2148.717181.2-73.7000110.4R91 M159 F162 A185 M309 D312R91-Y181 PolarHBondContact NH1-O 2.89Å; M159-Y181 HydrophobicContact CG-CD2 4.18Å; M159-Y181 HydrophobicContact CG-CE2 3.82Å; F162-Y181 HydrophobicContact CB-CD1 4.49Å; F162-Y181 HydrophobicContact CB-CG 4.2Å; F162-Y181 AromaticContact CD1-CD1 3.38Å; F162-Y181 HydrophobicContact CD1-CD1 3.38Å; F162-Y181 AromaticContact CD1-CE1 3.95Å; F162-Y181 HydrophobicContact CD1-CE1 3.95Å; F162-Y181 AromaticContact CD1-CG 3.95Å; F162-Y181 HydrophobicContact CD1-CG 3.95Å; F162-Y181 HydrophobicContact CD2-CD1 4.24Å; F162-Y181 HydrophobicContact CD2-CG 4.34Å; F162-Y181 AromaticContact CE1-CD1 3.48Å; F162-Y181 HydrophobicContact CE1-CD1 3.48Å; F162-Y181 VanDerWaalsContact CE1-CD1 3.48Å; F162-Y181 AromaticContact CE1-CE1 3.97Å; F162-Y181 HydrophobicContact CE1-CE1 3.97Å; F162-Y181 HydrophobicContact CE1-CG 4.4Å; F162-Y181 HydrophobicContact CE2-CD1 4.29Å; F162-Y181 AromaticContact CG-CD1 3.79Å; F162-Y181 HydrophobicContact CG-CD1 3.79Å; F162-Y181 AromaticContact CG-CG 3.9Å; F162-Y181 HydrophobicContact CG-CG 3.9Å; F162-Y181 AromaticContact CZ-CD1 3.93Å; F162-Y181 HydrophobicContact CZ-CD1 3.93Å; Y181-A185 WeakPolarHBondContact CA-O 3.31Å; Y181-M309 HydrophobicContact CE2-CE 4.25Å; Y181-D312 PolarHBondContact OH-OD2 2.93Å
182N95.1Very high95Very high6 Ų637.3 Ų37.33%0.03218%0.182CC..EExtended strand (participates in β ladder)trans-155.1125.3171.7-175.149.3000110.7A84 T87 L88 H184 A185A84-N182 VanDerWaalsContact CA-ND2 3.32Å; A84-N182 WeakPolarHBondContact CA-ND2 3.5Å; A84-N182 PolarHBondContact O-ND2 2.97Å; A84-N182 VanDerWaalsContact O-ND2 3.15Å; T87-N182 WeakPolarHBondContact CB-ND2 3.3Å; T87-N182 PolarHBondContact OG1-ND2 2.99Å; L88-N182 HydrophobicContact CD2-CB 4.29Å; L88-N182 HydrophobicContact CG-CB 4.39Å; N182-H184 PolarHBondContact O-N 3.15Å; N182-H184 VanDerWaalsContact O-N 3.16Å; N182-A185 PolarHBondContact N-O 3.42Å; N182-A185 WeakPolarHBondContact O-CB 3.49Å; N182-A185 PolarHBondContact O-N 3.1Å
183R93.5Very high94.9Very high11 Ų1129.8 Ų29.84%0.04216%0.156CC..THydrogen-bonded Turntrans55.4-117.2-176.6-66.2174.2176.987-2110.4E24 Y80 L83 A84 T87 A158E24-R183 VanDerWaalsContact CD-NE 3.32Å; E24-R183 IonicContact OE1-CZ 3.02Å; E24-R183 IonicContact OE1-NE 3.65Å; E24-R183 PolarHBondContact OE1-NE 2.96Å; E24-R183 IonicContact OE1-NH2 2.9Å; E24-R183 IonicContact OE2-CZ 3.87Å; E24-R183 IonicContact OE2-NE 3.35Å; E24-R183 PolarHBondContact OE2-NE 2.82Å; E24-R183 VanDerWaalsContact OE2-NE 3.15Å; E24-R183 IonicContact OE2-NH2 2.85Å; E24-R183 PolarHBondContact OE2-NH2 2.87Å; Y80-R183 HydrophobicContact CE1-CB 3.98Å; Y80-R183 HydrophobicContact CE2-CB 4.2Å; Y80-R183 HydrophobicContact CE2-CG 4.02Å; Y80-R183 WeakPolarHBondContact OH-CB 3.42Å; L83-R183 PolarHBondContact O-NH1 3.5Å; A84-R183 HydrophobicContact CB-CB 4.48Å; T87-R183 PolarHBondContact OG1-NH1 2.72Å; A158-R183 WeakPolarHBondContact CB-O 3.3Å
184H94.3Very high94.7Very high1 Ų136.3 Ų36.31%0.00518%0.182CC..THydrogen-bonded Turntrans-97.25.9178.664.7-55.3000113.4Y80 D81 H125 N182Y80-H184 HydrophobicContact CD1-CB 4.31Å; Y80-H184 AromaticContact CD1-CE1 3.3Å; Y80-H184 WeakPolarHBondContact CD1-CE1 3.45Å; Y80-H184 AromaticContact CD1-CG 3.58Å; Y80-H184 AromaticContact CD1-ND1 3.03Å; Y80-H184 WeakPolarHBondContact CD1-ND1 3.15Å; Y80-H184 AromaticContact CD1-NE2 3.94Å; Y80-H184 HydrophobicContact CE1-CB 3.87Å; Y80-H184 AromaticContact CE1-CE1 3.91Å; Y80-H184 AromaticContact CE1-CG 3.6Å; Y80-H184 AromaticContact CE1-ND1 3.15Å; Y80-H184 WeakPolarHBondContact CE1-ND1 3.03Å; Y80-H184 AromaticContact CG-CE1 3.89Å; Y80-H184 AromaticContact CG-ND1 3.94Å; D81-H184 IonicContact OD1-CD2 3.5Å; D81-H184 IonicContact OD1-CE1 2.82Å; D81-H184 IonicContact OD1-NE2 2.77Å; D81-H184 PolarHBondContact OD1-NE2 3.3Å; H125-H184 HydrophobicContact CB-CB 4.19Å; H125-H184 PolarHBondContact N-O 3Å; H125-H184 PolarHBondContact ND1-O 3.47Å; H125-H184 VanDerWaalsContact ND1-O 3.1Å; H125-H184 PolarHBondContact O-CD2 3.17Å; N182-H184 PolarHBondContact O-N 3.15Å; N182-H184 VanDerWaalsContact O-N 3.16Å
185A96.1Very high94.5Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-100.7133.9-179.900000111.3A84 L88 L122 K123 L124 Y181 N182A84-A185 HydrophobicContact CB-CB 3.89Å; L88-A185 HydrophobicContact CD1-CB 4.19Å; L122-A185 HydrophobicContact CD1-CB 3.91Å; K123-A185 WeakPolarHBondContact O-CA 3.33Å; L124-A185 HydrophobicContact CD2-CB 3.54Å; Y181-A185 WeakPolarHBondContact CA-O 3.31Å; N182-A185 PolarHBondContact N-O 3.42Å; N182-A185 WeakPolarHBondContact O-CB 3.49Å; N182-A185 PolarHBondContact O-N 3.1Å
186V96.7Very high94.3Very high0 Ų035.9 Ų35.90%018%0.179CC..EExtended strand (participates in β ladder)trans-124.1126.8172.2-177.50000108.4K123 A158 F162 M188K123-V186 PolarHBondContact N-O 3.44Å; K123-V186 PolarHBondContact O-N 3.41Å; A158-V186 HydrophobicContact CB-CG2 3.82Å; A158-V186 WeakPolarHBondContact O-CG2 3.5Å; F162-V186 HydrophobicContact CB-CG1 4.47Å; F162-V186 HydrophobicContact CB-CG2 4.49Å; F162-V186 HydrophobicContact CD2-CG1 4.06Å; V186-M188 HydrophobicContact CB-CE 4.27Å; V186-M188 HydrophobicContact CG1-CE 3.93Å
187V96.9Very high94Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-102.7125.4172.8-175.20000108.3L88 V93 V94 V112 F120 A121 L122 I179 D180L88-V187 HydrophobicContact CD1-CG2 3.81Å; L88-V187 HydrophobicContact CD2-CG2 3.98Å; V93-V187 HydrophobicContact CG1-CB 4.29Å; V93-V187 HydrophobicContact CG1-CG1 3.99Å; V93-V187 HydrophobicContact CG1-CG2 4.27Å; V94-V187 HydrophobicContact CG2-CG2 4.17Å; V112-V187 HydrophobicContact CG2-CG1 4.43Å; F120-V187 HydrophobicContact CB-CG1 3.89Å; F120-V187 HydrophobicContact CG-CG1 4.37Å; A121-V187 WeakPolarHBondContact O-CA 3.48Å; L122-V187 HydrophobicContact CD1-CG2 3.84Å; I179-V187 HydrophobicContact CB-CB 4.33Å; I179-V187 HydrophobicContact CB-CG1 4.08Å; I179-V187 WeakPolarHBondContact CB-O 3.35Å; I179-V187 HydrophobicContact CG1-CG1 4.44Å; I179-V187 HydrophobicContact CG2-CG1 4.43Å; I179-V187 PolarHBondContact N-O 3.2Å; D180-V187 PolarHBondContact N-O 3.18Å; D180-V187 PolarHBondContact O-N 3.34Å
188M96.3Very high93.7Very high15 Ų1538 Ų387%0.07419%0.192CC..EExtended strand (participates in β ladder)trans-136.7164.9-178.169.1-168.279.800110.5F120 A121 K123 M165 P176 K177 V186F120-M188 WeakPolarHBondContact CB-O 3.49Å; A121-M188 HydrophobicContact CB-CG 3.95Å; A121-M188 PolarHBondContact N-O 3.24Å; A121-M188 PolarHBondContact O-N 2.99Å; K123-M188 HydrophobicContact CB-CE 3.62Å; K123-M188 HydrophobicContact CD-CE 3.94Å; K123-M188 HydrophobicContact CG-CE 4.43Å; M165-M188 HydrophobicContact CE-CB 4.31Å; M165-M188 HydrophobicContact CE-CE 3.78Å; M165-M188 HydrophobicContact CE-SD 3.76Å; M165-M188 HydrophobicContact SD-CB 3.8Å; M165-M188 HydrophobicContact SD-SD 4.46Å; P176-M188 HydrophobicContact CB-CB 4.22Å; P176-M188 HydrophobicContact CB-CG 4.28Å; P176-M188 HydrophobicContact CB-SD 4.4Å; P176-M188 HydrophobicContact CG-CG 4.47Å; P176-M188 HydrophobicContact CG-SD 3.96Å; K177-M188 CarbonylContact O-C 3.48Å; K177-M188 WeakPolarHBondContact O-CA 3.4Å; V186-M188 HydrophobicContact CB-CE 4.27Å; V186-M188 HydrophobicContact CG1-CE 3.93Å
189E95.9Very high93.4Very high87 Ų8738.2 Ų38.241%0.40719%0.193SC..EExtended strand (participates in β ladder)trans-53.9139.4172.6-178.3166.3-151.100112.2P176 K177 I191P176-E189 HydrophobicContact CB-CB 4.25Å; K177-E189 HydrophobicContact CB-CB 3.95Å; K177-E189 VanDerWaalsContact CB-OE2 3.22Å; K177-E189 WeakPolarHBondContact CB-OE2 3.4Å; K177-E189 PolarHBondContact N-OE2 3.14Å; K177-E189 PolarHBondContact O-N 3.36Å; E189-I191 PolarHBondContact O-N 3.1Å
190L94.4Very high92.9Very high49 Ų4943 Ų4326%0.25721%0.213SC..  trans-83.1104.7174-178.565.7000108.6M101 Q119 A121M101-L190 HydrophobicContact CE-CD1 3.52Å; M101-L190 HydrophobicContact SD-CD1 3.89Å; Q119-L190 HydrophobicContact CB-CD2 3.91Å; A121-L190 HydrophobicContact CB-CD1 4.12Å
191I93.1Very high92.3Very high39 Ų3948.9 Ų48.920%0.224%0.239CC..  trans-76.4125.8174.6-57.3153.9000108.3P176 E189 I235 T243 I245P176-I191 HydrophobicContact CB-CD1 3.64Å; P176-I191 HydrophobicContact CB-CG1 4.04Å; P176-I191 HydrophobicContact CG-CD1 3.68Å; E189-I191 PolarHBondContact O-N 3.1Å; I191-I235 HydrophobicContact CD1-CD1 4.13Å; I191-I235 HydrophobicContact CG2-CG2 3.92Å; I191-T243 HydrophobicContact CD1-CG2 3.33Å; I191-T243 HydrophobicContact CG1-CG2 4.13Å; I191-I245 HydrophobicContact CD1-CG2 4.19Å
192N89.9Confident92Very high105 Ų10547.6 Ų47.656%0.56124%0.235SC*.  trans-82.1121.4168.3-169.941.7000107.7E238N192-E238 PolarHBondContact ND2-OE1 3.05Å
193G89.8Confident91.5Very high23 Ų2355.5 Ų55.524%0.23727%0.272CS..SBendtrans160.4176.1-175.100000111.6L236G193-L236 WeakPolarHBondContact CA-O 3.31Å
194Y91.6Very high91.3Very high145 Ų14558.3 Ų58.357%0.56929%0.288SS*.EExtended strand (participates in β ladder)trans-120.1141.7-179.3-60.6-82.3000110.4L196 L236Y194-L196 PolarHBondContact O-N 3.42Å; Y194-L236 PolarHBondContact N-O 3.22Å; Y194-L236 PolarHBondContact O-N 3.35Å
195P92.4Very high91.1Very high39 Ų3959.7 Ų59.725%0.25330%0.297SS..EExtended strand (participates in β ladder)trans-55138.4168.7-23.333.6000110.2C197 Q198 L234P195-C197 PolarHBondContact O-N 3.23Å; P195-Q198 WeakPolarHBondContact O-CB 3.46Å; P195-Q198 PolarHBondContact O-N 3.48Å; P195-L234 WeakPolarHBondContact CA-O 3.31Å
196L91.7Very high91Very high2 Ų261 Ų611%0.0131%0.308CS..G310 helixtrans-55.7-30.7-175.6-170.166.1000112.3Y194 Q198 I199 E231 L234 L236 F272 F273Y194-L196 PolarHBondContact O-N 3.42Å; L196-Q198 PolarHBondContact O-N 3.32Å; L196-Q198 VanDerWaalsContact O-N 3.16Å; L196-I199 HydrophobicContact CD1-CG1 4.48Å; L196-I199 PolarHBondContact O-N 3.43Å; L196-I199 VanDerWaalsContact O-N 3.09Å; L196-E231 HydrophobicContact CB-CB 4.37Å; L196-E231 WeakPolarHBondContact CB-O 3.3Å; L196-E231 PolarHBondContact N-O 3.21Å; L196-L234 HydrophobicContact CB-CB 4.26Å; L196-L234 HydrophobicContact CD2-CB 4.48Å; L196-L234 HydrophobicContact CD2-CD1 4.23Å; L196-L234 PolarHBondContact N-O 2.94Å; L196-L236 HydrophobicContact CD1-CD1 4.1Å; L196-F272 HydrophobicContact CD1-CE1 4.4Å; L196-F272 HydrophobicContact CD2-CD1 3.98Å; L196-F272 HydrophobicContact CD2-CE1 3.46Å; L196-F272 VanDerWaalsContact CD2-CE1 3.46Å; L196-F272 HydrophobicContact CD2-CZ 4.23Å; L196-F272 HydrophobicContact CG-CD1 4.49Å; L196-F272 HydrophobicContact CG-CE1 3.52Å; L196-F272 HydrophobicContact CG-CZ 3.87Å; L196-F273 HydrophobicContact CD2-CE2 4.13Å; L196-F273 HydrophobicContact CD2-CZ 4.41Å
197C90.3Very high90.8Very high26 Ų2664.1 Ų64.118%0.17633%0.329CS..G310 helixtrans-57.7-26.9175.3700000114.9P195 E231 F232 R276P195-C197 PolarHBondContact O-N 3.23Å; C197-E231 HydrophobicContact CB-CB 4.21Å; C197-E231 HydrophobicContact CB-CG 3.58Å; C197-E231 PolarHBondContact N-O 3.46Å; C197-F232 HydrophobicContact CB-CD1 3.89Å; C197-F232 HydrophobicContact CB-CE1 3.73Å; C197-F232 HydrophobicContact CB-CZ 4.21Å; C197-F232 WeakPolarHBondContact SG-CD1 3.49Å; C197-R276 PolarHBondContact O-NH1 3.47Å; C197-R276 PolarHBondContact O-NH2 3.03Å
198Q89.4Confident90.6Very high112 Ų11264.2 Ų64.252%0.52333%0.33SS..G310 helixtrans-90-11.2-179.7-62.5-178.2-11.400113.1P195 L196P195-Q198 WeakPolarHBondContact O-CB 3.46Å; P195-Q198 PolarHBondContact O-N 3.48Å; L196-Q198 PolarHBondContact O-N 3.32Å; L196-Q198 VanDerWaalsContact O-N 3.16Å
199I88.4Confident90.4Very high26 Ų2663.6 Ų63.613%0.13333%0.327CS..  trans-79.1127179.7-54.6-59.6000109.6L196 H201 V202 R276 F277L196-I199 HydrophobicContact CD1-CG1 4.48Å; L196-I199 PolarHBondContact O-N 3.43Å; L196-I199 VanDerWaalsContact O-N 3.09Å; I199-H201 WeakPolarHBondContact CG2-O 3.38Å; I199-V202 HydrophobicContact CG2-CG2 3.59Å; I199-R276 PolarHBondContact O-NH1 3.21Å; I199-F277 HydrophobicContact CG2-CE1 4.49Å; I199-F277 HydrophobicContact CG2-CZ 4.33Å
200H84.7Confident90.3Very high160 Ų16063.5 Ų63.574%0.74133%0.329SS*.  trans-97.6-31.9179.6-77.4-76.3000113
201H83.6Confident90.3Very high147 Ų14763.5 Ų63.568%0.68133%0.328SS*.  trans-142.1134.9-178.4-179.6-82.7000108.2I199I199-H201 WeakPolarHBondContact CG2-O 3.38Å
202V87Confident90.4Very high6 Ų661.6 Ų61.64%0.03632%0.318CS..  trans-120.6136.7171.31760000105.6I199 D204 P205 V208 F277I199-V202 HydrophobicContact CG2-CG2 3.59Å; V202-D204 VanDerWaalsContact C-N 3.35Å; V202-P205 HydrophobicContact CB-CG 4.37Å; V202-V208 HydrophobicContact CG1-CB 4.49Å; V202-V208 HydrophobicContact CG1-CG2 3.73Å; V202-F277 HydrophobicContact CB-CE1 4.32Å; V202-F277 HydrophobicContact CG2-CE1 3.74Å; V202-F277 HydrophobicContact CG2-CE2 4.32Å; V202-F277 HydrophobicContact CG2-CZ 3.62Å
203E85.5Confident90.6Very high173 Ų17357.1 Ų57.181%0.80829%0.294SS*.SBendtrans-64.1-42.8-178-63.7-169.2168.400111.5
204D89.2Confident90.7Very high70 Ų7062.3 Ų62.337%0.37431%0.312SS..  trans-126.986.6175.7-172.41.5000112.3V202 A206 S207 V208V202-D204 VanDerWaalsContact C-N 3.35Å; D204-A206 PolarHBondContact O-N 3.05Å; D204-A206 WeakPolarHBondContact OD1-CB 3.4Å; D204-A206 PolarHBondContact OD1-N 2.94Å; D204-A206 VanDerWaalsContact OD1-N 3.14Å; D204-S207 PolarHBondContact O-N 3.42Å; D204-S207 PolarHBondContact OD1-N 2.9Å; D204-S207 VanDerWaalsContact OD2-CB 3.25Å; D204-S207 WeakPolarHBondContact OD2-CB 3.29Å; D204-S207 PolarHBondContact OD2-OG 3.32Å; D204-V208 PolarHBondContact O-N 2.96Å
205P91.3Very high90.9Very high29 Ų2956 Ų5619%0.18829%0.288CS..Hα-helixtrans-61.9-25.1177.3-22.533.5000113.8V202 Y209 F273 F277 Y279V202-P205 HydrophobicContact CB-CG 4.37Å; P205-Y209 VanDerWaalsContact O-CB 3.24Å; P205-Y209 WeakPolarHBondContact O-CB 3.32Å; P205-Y209 PolarHBondContact O-N 3.5Å; P205-F273 WeakPolarHBondContact O-CE1 3.46Å; P205-F277 HydrophobicContact CB-CB 4.15Å; P205-F277 HydrophobicContact CB-CG 4.46Å; P205-F277 HydrophobicContact CG-CB 4.26Å; P205-Y279 HydrophobicContact CB-CG 4.38Å
206A92.2Very high91Very high28 Ų2854.6 Ų54.623%0.23128%0.278CS..Hα-helixtrans-71.2-48.6-178.300000110.6D204 V208 Y209 D210 Y279D204-A206 PolarHBondContact O-N 3.05Å; D204-A206 WeakPolarHBondContact OD1-CB 3.4Å; D204-A206 PolarHBondContact OD1-N 2.94Å; D204-A206 VanDerWaalsContact OD1-N 3.14Å; A206-V208 VanDerWaalsContact C-N 3.35Å; A206-V208 PolarHBondContact O-N 2.98Å; A206-Y209 PolarHBondContact O-N 3.2Å; A206-D210 PolarHBondContact O-N 3.17Å; A206-Y279 HydrophobicContact CB-CD2 4.47Å; A206-Y279 HydrophobicContact CB-CE2 3.6Å
207S92.5Very high91.1Very high65 Ų6556.4 Ų56.446%0.45529%0.289SS..Hα-helixtrans-60-43.1177.6-70.40000112.5D204 D210 E211D204-S207 PolarHBondContact O-N 3.42Å; D204-S207 PolarHBondContact OD1-N 2.9Å; D204-S207 VanDerWaalsContact OD2-CB 3.25Å; D204-S207 WeakPolarHBondContact OD2-CB 3.29Å; D204-S207 PolarHBondContact OD2-OG 3.32Å; S207-D210 PolarHBondContact O-N 2.95Å; S207-E211 WeakPolarHBondContact O-CB 3.49Å; S207-E211 PolarHBondContact O-N 3.16Å
208V92.9Very high91.3Very high3 Ų358.3 Ų58.32%0.01830%0.295CS..Hα-helixtrans-68-37.8178.1-178.70000111.3V202 D204 A206 A212 L236 D240 I242 F273V202-V208 HydrophobicContact CG1-CB 4.49Å; V202-V208 HydrophobicContact CG1-CG2 3.73Å; D204-V208 PolarHBondContact O-N 2.96Å; A206-V208 VanDerWaalsContact C-N 3.35Å; A206-V208 PolarHBondContact O-N 2.98Å; V208-A212 WeakPolarHBondContact O-CB 3.38Å; V208-A212 PolarHBondContact O-N 3.01Å; V208-L236 HydrophobicContact CG1-CD1 3.66Å; V208-L236 HydrophobicContact CG2-CD1 4.31Å; V208-D240 HydrophobicContact CG2-CB 4.12Å; V208-I242 HydrophobicContact CG1-CD1 3.69Å; V208-I242 HydrophobicContact CG1-CG1 4.01Å; V208-I242 VanDerWaalsContact O-CD1 3.31Å; V208-I242 WeakPolarHBondContact O-CD1 3.48Å; V208-F273 HydrophobicContact CB-CE1 4.41Å; V208-F273 HydrophobicContact CB-CZ 4.44Å; V208-F273 HydrophobicContact CG1-CE1 4.38Å; V208-F273 HydrophobicContact CG1-CZ 3.97Å
209Y93.7Very high91.5Very high2 Ų253 Ų531%0.00827%0.27CS..Hα-helixtrans-63.4-46.1174.5174.7-89.8000111.7P205 A206 E211 A212 M213 I269 R270 F273 Y279 L283P205-Y209 VanDerWaalsContact O-CB 3.24Å; P205-Y209 WeakPolarHBondContact O-CB 3.32Å; P205-Y209 PolarHBondContact O-N 3.5Å; A206-Y209 PolarHBondContact O-N 3.2Å; Y209-E211 VanDerWaalsContact C-N 3.35Å; Y209-E211 PolarHBondContact O-N 3.34Å; Y209-A212 PolarHBondContact O-N 3.14Å; Y209-M213 HydrophobicContact CD1-CG 4.15Å; Y209-M213 HydrophobicContact CD2-CE 4.27Å; Y209-M213 HydrophobicContact CE1-CE 4.38Å; Y209-M213 HydrophobicContact CE1-CG 3.7Å; Y209-M213 HydrophobicContact CE2-CE 3.39Å; Y209-M213 HydrophobicContact CE2-CG 4.2Å; Y209-M213 VanDerWaalsContact CZ-CE 3.47Å; Y209-M213 WeakPolarHBondContact O-CG 3.49Å; Y209-M213 PolarHBondContact O-N 3.43Å; Y209-M213 WeakPolarHBondContact OH-CE 3.47Å; Y209-I269 HydrophobicContact CD2-CG2 4.14Å; Y209-I269 HydrophobicContact CE2-CG2 4.26Å; Y209-R270 HydrophobicContact CE2-CG 4.09Å; Y209-R270 WeakPolarHBondContact OH-CG 3.49Å; Y209-F273 HydrophobicContact CD2-CB 4.16Å; Y209-F273 HydrophobicContact CD2-CD1 4.16Å; Y209-F273 HydrophobicContact CD2-CD2 4.04Å; Y209-F273 HydrophobicContact CD2-CE2 4.5Å; Y209-F273 AromaticContact CD2-CG 3.86Å; Y209-F273 HydrophobicContact CD2-CG 3.86Å; Y209-Y279 AromaticContact CD1-CE1 3.73Å; Y209-Y279 HydrophobicContact CD1-CE1 3.73Å; Y209-Y279 HydrophobicContact CD2-CD1 4.31Å; Y209-Y279 HydrophobicContact CD2-CE1 4.12Å; Y209-Y279 HydrophobicContact CE1-CE1 4.36Å; Y209-Y279 HydrophobicContact CG-CD1 4.13Å; Y209-Y279 AromaticContact CG-CE1 3.58Å; Y209-Y279 HydrophobicContact CG-CE1 3.58Å; Y209-L283 PolarHBondContact OH-O 2.82Å
210D93.1Very high91.7Very high85 Ų8551.8 Ų51.846%0.45526%0.264SS..Hα-helixtrans-63.2-41.8179.2-73-20.9000111A206 S207 A212 M213 E214A206-D210 PolarHBondContact O-N 3.17Å; S207-D210 PolarHBondContact O-N 2.95Å; D210-A212 PolarHBondContact O-N 2.66Å; D210-M213 PolarHBondContact O-N 3.33Å; D210-E214 WeakPolarHBondContact O-CB 3.38Å; D210-E214 PolarHBondContact O-N 3.19Å
211E94.1Very high92.1Very high48 Ų4845.3 Ų45.322%0.22423%0.234CC..Hα-helixtrans-59.4-47173-175179.415800111.3S207 Y209 M213 E214 L215 H241 I242S207-E211 WeakPolarHBondContact O-CB 3.49Å; S207-E211 PolarHBondContact O-N 3.16Å; Y209-E211 VanDerWaalsContact C-N 3.35Å; Y209-E211 PolarHBondContact O-N 3.34Å; E211-M213 PolarHBondContact O-N 3.11Å; E211-E214 PolarHBondContact O-N 2.98Å; E211-L215 VanDerWaalsContact O-CG 3.3Å; E211-L215 WeakPolarHBondContact O-CG 3.31Å; E211-L215 PolarHBondContact O-N 3Å; E211-H241 IonicContact OE2-ND1 3.2Å; E211-I242 HydrophobicContact CB-CD1 4.09Å; E211-I242 HydrophobicContact CG-CD1 4.1Å; E211-I242 HydrophobicContact CG-CG1 4.35Å; E211-I242 WeakPolarHBondContact OE1-CB 3.31Å; E211-I242 PolarHBondContact OE1-N 3.17Å
212A94.4Very high92.4Very high0 Ų039.3 Ų39.30%021%0.207CC..Hα-helixtrans-61.6-42.8178.800000112.2V208 Y209 D210 L215 I216 I242 I269V208-A212 WeakPolarHBondContact O-CB 3.38Å; V208-A212 PolarHBondContact O-N 3.01Å; Y209-A212 PolarHBondContact O-N 3.14Å; D210-A212 PolarHBondContact O-N 2.66Å; A212-L215 PolarHBondContact O-N 3.39Å; A212-I216 WeakPolarHBondContact O-CG1 3.38Å; A212-I216 PolarHBondContact O-N 2.9Å; A212-I242 HydrophobicContact CB-CD1 3.74Å; A212-I269 HydrophobicContact CB-CG2 4.27Å
213M94.1Very high92.6Very high11 Ų1139 Ų395%0.05421%0.205CC..Hα-helixtrans-68.3-40177.8-71.6-61170.500111.9Y209 D210 E211 L215 I216 V217 V266 I269 R270 P285Y209-M213 HydrophobicContact CD1-CG 4.15Å; Y209-M213 HydrophobicContact CD2-CE 4.27Å; Y209-M213 HydrophobicContact CE1-CE 4.38Å; Y209-M213 HydrophobicContact CE1-CG 3.7Å; Y209-M213 HydrophobicContact CE2-CE 3.39Å; Y209-M213 HydrophobicContact CE2-CG 4.2Å; Y209-M213 VanDerWaalsContact CZ-CE 3.47Å; Y209-M213 WeakPolarHBondContact O-CG 3.49Å; Y209-M213 PolarHBondContact O-N 3.43Å; Y209-M213 WeakPolarHBondContact OH-CE 3.47Å; D210-M213 PolarHBondContact O-N 3.33Å; E211-M213 PolarHBondContact O-N 3.11Å; M213-L215 VanDerWaalsContact C-N 3.28Å; M213-L215 PolarHBondContact O-N 3.29Å; M213-I216 PolarHBondContact O-N 3.41Å; M213-I216 HydrophobicContact SD-CD1 4.03Å; M213-V217 WeakPolarHBondContact O-CG2 3.21Å; M213-V217 PolarHBondContact O-N 3.41Å; M213-V217 VanDerWaalsContact O-N 3.07Å; M213-V266 HydrophobicContact CE-CG1 4.06Å; M213-V266 HydrophobicContact SD-CG1 4.11Å; M213-V266 HydrophobicContact SD-CG2 4.48Å; M213-I269 HydrophobicContact CE-CB 3.77Å; M213-I269 HydrophobicContact CE-CG2 3.66Å; M213-R270 HydrophobicContact CE-CG 3.72Å; M213-P285 HydrophobicContact CB-CG 4.48Å; M213-P285 HydrophobicContact SD-CG 4.12Å
214E93.6Very high92.9Very high132 Ų13230.8 Ų30.862%0.61717%0.167SC*.Hα-helixtrans-59.4-41.1173.8-171.7-178.3167.300110.8D210 E211 I216 V217 K218D210-E214 WeakPolarHBondContact O-CB 3.38Å; D210-E214 PolarHBondContact O-N 3.19Å; E211-E214 PolarHBondContact O-N 2.98Å; E214-I216 PolarHBondContact O-N 2.96Å; E214-V217 PolarHBondContact O-N 3.27Å; E214-K218 WeakPolarHBondContact O-CB 3.48Å; E214-K218 PolarHBondContact O-N 3.38Å
215L95Very high93.1Very high12 Ų1227.7 Ų27.76%0.06315%0.15CC..Hα-helixtrans-62.5-41.2176.7-70175.2000112.8P174 E211 A212 M213 K218 L219 I242 M244P174-L215 HydrophobicContact CG-CD1 3.93Å; P174-L215 HydrophobicContact CG-CD2 3.58Å; P174-L215 HydrophobicContact CG-CG 4.42Å; E211-L215 VanDerWaalsContact O-CG 3.3Å; E211-L215 WeakPolarHBondContact O-CG 3.31Å; E211-L215 PolarHBondContact O-N 3Å; A212-L215 PolarHBondContact O-N 3.39Å; M213-L215 VanDerWaalsContact C-N 3.28Å; M213-L215 PolarHBondContact O-N 3.29Å; L215-K218 PolarHBondContact O-N 3.41Å; L215-L219 WeakPolarHBondContact O-CB 3.29Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 3.17Å; L215-I242 HydrophobicContact CD1-CB 4.2Å; L215-I242 HydrophobicContact CD1-CG2 4.03Å; L215-M244 HydrophobicContact CB-SD 4.14Å; L215-M244 HydrophobicContact CD1-CE 4.5Å; L215-M244 HydrophobicContact CD1-CG 4.16Å; L215-M244 HydrophobicContact CD1-SD 4.16Å; L215-M244 HydrophobicContact CD2-CE 4.16Å
216I94.4Very high93.1Very high9 Ų926.5 Ų26.55%0.04614%0.142CC..Hα-helixtrans-61.7-47.4176-64.7170.3000110.3A212 M213 E214 L219 A220 F229 F262 V266 I269A212-I216 WeakPolarHBondContact O-CG1 3.38Å; A212-I216 PolarHBondContact O-N 2.9Å; M213-I216 PolarHBondContact O-N 3.41Å; M213-I216 HydrophobicContact SD-CD1 4.03Å; E214-I216 PolarHBondContact O-N 2.96Å; I216-L219 PolarHBondContact O-N 2.83Å; I216-A220 WeakPolarHBondContact O-CB 3.37Å; I216-A220 PolarHBondContact O-N 3.45Å; I216-A220 VanDerWaalsContact O-N 3.08Å; I216-F229 HydrophobicContact CD1-CD1 3.59Å; I216-F229 HydrophobicContact CD1-CE1 3.65Å; I216-F229 HydrophobicContact CD1-CG 4.43Å; I216-F229 HydrophobicContact CG1-CD1 3.68Å; I216-F229 HydrophobicContact CG1-CE1 3.53Å; I216-F229 HydrophobicContact CG1-CE2 4.42Å; I216-F229 HydrophobicContact CG1-CG 4.2Å; I216-F229 HydrophobicContact CG1-CZ 3.91Å; I216-F262 HydrophobicContact CG2-CD2 3.95Å; I216-F262 HydrophobicContact CG2-CE2 3.48Å; I216-F262 VanDerWaalsContact CG2-CE2 3.48Å; I216-F262 HydrophobicContact CG2-CZ 3.94Å; I216-V266 HydrophobicContact CD1-CG2 4.24Å; I216-V266 HydrophobicContact CG2-CG2 4.06Å; I216-I269 HydrophobicContact CD1-CG1 4.26Å
217V94Very high92.9Very high40 Ų4025.5 Ų25.524%0.24214%0.135CC..Hα-helixtrans-63.1-43.9177.8175.10000110.8M213 E214 A220 N221 P285M213-V217 WeakPolarHBondContact O-CG2 3.21Å; M213-V217 PolarHBondContact O-N 3.41Å; M213-V217 VanDerWaalsContact O-N 3.07Å; E214-V217 PolarHBondContact O-N 3.27Å; V217-A220 PolarHBondContact O-N 3.06Å; V217-N221 WeakPolarHBondContact O-CB 3.22Å; V217-N221 VanDerWaalsContact O-CG 3.31Å; V217-N221 PolarHBondContact O-N 3.31Å; V217-N221 PolarHBondContact O-OD1 2.9Å; V217-P285 HydrophobicContact CG2-CB 3.34Å; V217-P285 HydrophobicContact CG2-CG 3.67Å
218K93.6Very high92.7Very high66 Ų6625.4 Ų25.429%0.28713%0.129SC..Hα-helixtrans-62.7-44.9179.7-167-178176.4177.10111.1F173 E214 L215 A220 N221 H222F173-K218 HydrophobicContact CD1-CD 4.11Å; F173-K218 HydrophobicContact CD1-CG 4.46Å; F173-K218 HydrophobicContact CE1-CB 3.89Å; F173-K218 HydrophobicContact CE1-CD 3.63Å; F173-K218 HydrophobicContact CE1-CG 3.52Å; F173-K218 HydrophobicContact CZ-CB 4.36Å; F173-K218 HydrophobicContact CZ-CD 4.04Å; F173-K218 HydrophobicContact CZ-CG 3.66Å; E214-K218 WeakPolarHBondContact O-CB 3.48Å; E214-K218 PolarHBondContact O-N 3.38Å; L215-K218 PolarHBondContact O-N 3.41Å; K218-A220 VanDerWaalsContact C-N 3.29Å; K218-A220 PolarHBondContact O-N 3.18Å; K218-N221 PolarHBondContact O-N 3.02Å; K218-H222 PolarHBondContact O-CD2 3.36Å; K218-H222 VanDerWaalsContact O-CD2 3.22Å; K218-H222 PolarHBondContact O-N 3.41Å; K218-H222 VanDerWaalsContact O-N 3.13Å
219L93.8Very high92.8Very high2 Ų225.3 Ų25.31%0.0113%0.128CC..Hα-helixtrans-56.4-46.8173.6-77.8173.4000111.1L168 F173 L215 I216 N221 H222 G223 L224 H226 M244 M250L168-L219 HydrophobicContact CD1-CD2 4.48Å; L168-L219 HydrophobicContact CD2-CD2 3.55Å; F173-L219 HydrophobicContact CD1-CD2 4.14Å; F173-L219 HydrophobicContact CD1-CG 4.48Å; F173-L219 HydrophobicContact CE1-CD2 3.76Å; F173-L219 HydrophobicContact CE1-CG 3.96Å; F173-L219 HydrophobicContact CZ-CD2 4.19Å; L215-L219 WeakPolarHBondContact O-CB 3.29Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 3.17Å; I216-L219 PolarHBondContact O-N 2.83Å; L219-N221 PolarHBondContact O-N 3.41Å; L219-H222 CarbonylContact O-C 3.4Å; L219-H222 WeakPolarHBondContact O-CA 3.42Å; L219-H222 PolarHBondContact O-N 3.29Å; L219-H222 VanDerWaalsContact O-N 3.1Å; L219-G223 PolarHBondContact O-N 2.98Å; L219-L224 CarbonylContact C-O 3.52Å; L219-L224 PolarHBondContact O-N 2.9Å; L219-H226 HydrophobicContact CD1-CB 4.29Å; L219-M244 HydrophobicContact CD1-CE 4.45Å; L219-M244 HydrophobicContact CD1-SD 3.88Å; L219-M250 HydrophobicContact CD2-CE 3.84Å
220A92.6Very high92.7Very high0 Ų026.3 Ų26.30%013%0.134CC..Hα-helixtrans-66-38.5-178.400000112.7I216 V217 K218 H222 G223 L224 T253 F262 I290I216-A220 WeakPolarHBondContact O-CB 3.37Å; I216-A220 PolarHBondContact O-N 3.45Å; I216-A220 VanDerWaalsContact O-N 3.08Å; V217-A220 PolarHBondContact O-N 3.06Å; K218-A220 VanDerWaalsContact C-N 3.29Å; K218-A220 PolarHBondContact O-N 3.18Å; A220-H222 PolarHBondContact O-N 3.14Å; A220-G223 WeakPolarHBondContact O-CA 3.33Å; A220-G223 PolarHBondContact O-N 3.25Å; A220-L224 VanDerWaalsContact CA-O 3.22Å; A220-L224 WeakPolarHBondContact CA-O 3.3Å; A220-L224 PolarHBondContact N-O 3.33Å; A220-L224 VanDerWaalsContact N-O 3.12Å; A220-T253 HydrophobicContact CB-CG2 4.46Å; A220-F262 HydrophobicContact CB-CD2 4.06Å; A220-F262 HydrophobicContact CB-CE2 3.77Å; A220-I290 VanDerWaalsContact C-CG2 3.49Å; A220-I290 HydrophobicContact CB-CB 4.47Å; A220-I290 HydrophobicContact CB-CD1 3.58Å; A220-I290 HydrophobicContact CB-CG1 3.74Å; A220-I290 HydrophobicContact CB-CG2 3.85Å; A220-I290 WeakPolarHBondContact O-CG2 3.34Å
221N92.8Very high92.6Very high23 Ų2324.5 Ų24.512%0.12312%0.122CC..Hα-helixtrans-61.8-31.6173-73.8-6.3000112V217 K218 L219 G223 I290 R291 R292 E293 D294V217-N221 WeakPolarHBondContact O-CB 3.22Å; V217-N221 VanDerWaalsContact O-CG 3.31Å; V217-N221 PolarHBondContact O-N 3.31Å; V217-N221 PolarHBondContact O-OD1 2.9Å; K218-N221 PolarHBondContact O-N 3.02Å; L219-N221 PolarHBondContact O-N 3.41Å; N221-G223 PolarHBondContact O-N 3.12Å; N221-I290 WeakPolarHBondContact OD1-CG2 3.48Å; N221-R291 VanDerWaalsContact CA-O 3.31Å; N221-R291 WeakPolarHBondContact CA-O 3.31Å; N221-R291 VanDerWaalsContact CB-O 3.23Å; N221-R291 WeakPolarHBondContact CB-O 3.43Å; N221-R291 PolarHBondContact OD1-N 3.5Å; N221-R291 PolarHBondContact OD1-O 3.33Å; N221-R292 CarbonylContact O-C 3.6Å; N221-R292 WeakPolarHBondContact O-CA 3Å; N221-E293 HydrophobicContact CB-CG 4.41Å; N221-E293 PolarHBondContact O-N 3.26Å; N221-D294 PolarHBondContact O-N 2.73Å
222H91.6Very high92.5Very high22 Ų2227.9 Ų27.910%0.10214%0.137CC..THydrogen-bonded Turntrans-84.37.8173-78.5-92.4000113.9F173 K218 L219 A220 D294 L296F173-H222 AromaticContact CE2-CD2 3.83Å; F173-H222 HydrophobicContact CZ-CB 4.34Å; F173-H222 AromaticContact CZ-CD2 3.52Å; F173-H222 AromaticContact CZ-CG 3.97Å; K218-H222 PolarHBondContact O-CD2 3.36Å; K218-H222 VanDerWaalsContact O-CD2 3.22Å; K218-H222 PolarHBondContact O-N 3.41Å; K218-H222 VanDerWaalsContact O-N 3.13Å; L219-H222 CarbonylContact O-C 3.4Å; L219-H222 WeakPolarHBondContact O-CA 3.42Å; L219-H222 PolarHBondContact O-N 3.29Å; L219-H222 VanDerWaalsContact O-N 3.1Å; A220-H222 PolarHBondContact O-N 3.14Å; H222-D294 CarbonylContact C-O 3.59Å; H222-D294 HydrophobicContact CB-CB 4.34Å; H222-D294 IonicContact CE1-OD2 2.7Å; H222-D294 WeakPolarHBondContact ND1-CB 3.17Å; H222-D294 IonicContact ND1-OD2 2.72Å; H222-D294 PolarHBondContact ND1-OD2 2.6Å; H222-L296 HydrophobicContact CB-CD1 3.74Å; H222-L296 HydrophobicContact CB-CG 4.1Å; H222-L296 WeakPolarHBondContact O-CB 3.21Å; H222-L296 PolarHBondContact O-N 2.81Å
223G90.5Very high92.4Very high0 Ų028.5 Ų28.50%014%0.14CC..THydrogen-bonded Turntrans88.55.4174.400000114.9L219 A220 N221 T253L219-G223 PolarHBondContact O-N 2.98Å; A220-G223 WeakPolarHBondContact O-CA 3.33Å; A220-G223 PolarHBondContact O-N 3.25Å; N221-G223 PolarHBondContact O-N 3.12Å; G223-T253 WeakPolarHBondContact CA-OG1 3.35Å; G223-T253 PolarHBondContact O-N 3.43Å; G223-T253 PolarHBondContact O-OG1 2.92Å; G223-T253 VanDerWaalsContact O-OG1 3.07Å
224L92.2Very high92.4Very high0 Ų028 Ų280%014%0.138CC..EExtended strand (participates in β ladder)trans-115.8145.6-174.4-66.2174.5000112.5Y164 L168 L219 A220 M250 L296 D297Y164-L224 HydrophobicContact CD1-CD1 4.2Å; Y164-L224 HydrophobicContact CD1-CD2 4.46Å; Y164-L224 HydrophobicContact CE1-CD1 4.31Å; Y164-L224 HydrophobicContact CE1-CD2 3.76Å; L168-L224 HydrophobicContact CD2-CD1 4.27Å; L219-L224 CarbonylContact C-O 3.52Å; L219-L224 PolarHBondContact O-N 2.9Å; A220-L224 VanDerWaalsContact CA-O 3.22Å; A220-L224 WeakPolarHBondContact CA-O 3.3Å; A220-L224 PolarHBondContact N-O 3.33Å; A220-L224 VanDerWaalsContact N-O 3.12Å; L224-M250 HydrophobicContact CB-CE 3.79Å; L224-M250 HydrophobicContact CD1-CE 3.93Å; L224-M250 HydrophobicContact CG-CE 4.38Å; L224-L296 HydrophobicContact CD1-CB 3.72Å; L224-L296 HydrophobicContact CD1-CD1 4.03Å; L224-L296 HydrophobicContact CG-CB 4.08Å; L224-D297 HydrophobicContact CD2-CB 3.98Å
225I92Very high92.5Very high4 Ų422.9 Ų22.92%0.02111%0.114CC..EExtended strand (participates in β ladder)trans-122.7134.8170.4-53.6170.5000106.8G227 M250 V251 T253 A258 F262 F287I225-G227 PolarHBondContact O-N 2.68Å; I225-M250 CarbonylContact O-C 3.46Å; I225-M250 VanDerWaalsContact O-CA 3.23Å; I225-M250 WeakPolarHBondContact O-CA 3.43Å; I225-V251 HydrophobicContact CB-CG2 3.74Å; I225-V251 HydrophobicContact CD1-CG2 4.29Å; I225-V251 HydrophobicContact CG1-CG2 4.46Å; I225-V251 HydrophobicContact CG2-CG2 4.31Å; I225-V251 PolarHBondContact N-O 3.35Å; I225-V251 PolarHBondContact O-N 3.47Å; I225-T253 HydrophobicContact CD1-CG2 4.02Å; I225-T253 HydrophobicContact CG1-CG2 3.71Å; I225-A258 HydrophobicContact CD1-CB 3.65Å; I225-A258 VanDerWaalsContact CD1-O 3.29Å; I225-A258 WeakPolarHBondContact CD1-O 3.41Å; I225-F262 HydrophobicContact CD1-CB 4.35Å; I225-F262 HydrophobicContact CG2-CB 4.47Å; I225-F287 HydrophobicContact CD1-CE2 4.1Å
226H91.8Very high92.4Very high4 Ų422.9 Ų22.92%0.01911%0.114CC..  trans-62.6-44.2-175.5-165.4-75.5000111.7L219 D228 F229 I245 D246 F247 Q249 M250L219-H226 HydrophobicContact CD1-CB 4.29Å; H226-D228 PolarHBondContact ND1-N 2.85Å; H226-D228 PolarHBondContact ND1-O 2.73Å; H226-D228 PolarHBondContact O-N 3.18Å; H226-F229 HydrophobicContact CB-CB 4.03Å; H226-F229 HydrophobicContact CB-CD2 3.88Å; H226-F229 HydrophobicContact CB-CG 4.41Å; H226-F229 AromaticContact CD2-CD2 3.83Å; H226-F229 AromaticContact CG-CD2 3.78Å; H226-I245 PolarHBondContact NE2-O 2.93Å; H226-D246 PolarHBondContact CE1-O 3.2Å; H226-F247 AromaticContact NE2-CD1 3.89Å; H226-Q249 CarbonylContact O-C 3.56Å; H226-M250 WeakPolarHBondContact O-CA 3.37Å; H226-M250 PolarHBondContact O-N 2.79Å
227G87.4Confident92.3Very high8 Ų824.9 Ų24.98%0.08213%0.125CC..SBendtrans73.98175.800000113.8I225 R264 D265I225-G227 PolarHBondContact O-N 2.68Å; G227-R264 PolarHBondContact O-NH2 2.66Å; G227-D265 PolarHBondContact N-OD2 2.82Å
228D89.8Confident91.9Very high63 Ų6330.2 Ų30.234%0.33715%0.147SC..  trans-164.149.3167.2-165.821.6000109.9H226 N230 N233 Q249H226-D228 PolarHBondContact ND1-N 2.85Å; H226-D228 PolarHBondContact ND1-O 2.73Å; H226-D228 PolarHBondContact O-N 3.18Å; D228-N230 PolarHBondContact O-N 2.88Å; D228-N230 PolarHBondContact OD1-ND2 2.86Å; D228-N233 PolarHBondContact O-ND2 3.22Å; D228-N233 PolarHBondContact OD2-ND2 2.93Å; D228-Q249 HydrophobicContact CB-CB 4.49Å
229F93.7Very high91.5Very high1 Ų132.5 Ų32.50%0.00416%0.163CC..  trans-82.4101.9-175.9-157.1-102.2000110.2I216 H226 L234 M244 D265 C268 I269I216-F229 HydrophobicContact CD1-CD1 3.59Å; I216-F229 HydrophobicContact CD1-CE1 3.65Å; I216-F229 HydrophobicContact CD1-CG 4.43Å; I216-F229 HydrophobicContact CG1-CD1 3.68Å; I216-F229 HydrophobicContact CG1-CE1 3.53Å; I216-F229 HydrophobicContact CG1-CE2 4.42Å; I216-F229 HydrophobicContact CG1-CG 4.2Å; I216-F229 HydrophobicContact CG1-CZ 3.91Å; H226-F229 HydrophobicContact CB-CB 4.03Å; H226-F229 HydrophobicContact CB-CD2 3.88Å; H226-F229 HydrophobicContact CB-CG 4.41Å; H226-F229 AromaticContact CD2-CD2 3.83Å; H226-F229 AromaticContact CG-CD2 3.78Å; F229-L234 HydrophobicContact CD2-CD2 4.47Å; F229-L234 HydrophobicContact CE1-CD1 3.87Å; F229-L234 HydrophobicContact CE1-CD2 4.27Å; F229-L234 HydrophobicContact CE2-CD2 3.72Å; F229-L234 HydrophobicContact CZ-CD1 4.02Å; F229-L234 HydrophobicContact CZ-CD2 3.61Å; F229-L234 HydrophobicContact CZ-CG 4.34Å; F229-M244 HydrophobicContact CE2-CG 4.03Å; F229-M244 HydrophobicContact CE2-SD 3.68Å; F229-M244 HydrophobicContact CZ-SD 4.38Å; F229-D265 HydrophobicContact CB-CB 3.66Å; F229-D265 PolarHBondContact N-OD1 3.35Å; F229-C268 WeakPolarHBondContact O-CB 3.46Å; F229-I269 HydrophobicContact CD1-CD1 3.65Å; F229-I269 HydrophobicContact CD1-CG1 3.5Å; F229-I269 VanDerWaalsContact CD1-CG1 3.5Å; F229-I269 HydrophobicContact CE1-CD1 3.79Å; F229-I269 HydrophobicContact CE1-CG1 3.72Å
230N92.1Very high91Very high22 Ų2234.8 Ų34.812%0.11818%0.175CC..SBendtrans-143.6173.5-172.267.244.7000111.7D228 F232 N233D228-N230 PolarHBondContact O-N 2.88Å; D228-N230 PolarHBondContact OD1-ND2 2.86Å; N230-F232 PolarHBondContact O-N 3.43Å; N230-F232 VanDerWaalsContact O-N 3.11Å; N230-F232 WeakPolarHBondContact OD1-CA 3.49Å; N230-F232 WeakPolarHBondContact OD1-CB 3.46Å; N230-F232 PolarHBondContact OD1-N 3.36Å; N230-N233 PolarHBondContact ND2-ND2 2.99Å; N230-N233 PolarHBondContact O-N 3.2Å; N230-N233 VanDerWaalsContact O-N 3.12Å; N230-N233 PolarHBondContact OD1-N 3.47Å; N230-N233 VanDerWaalsContact OD1-N 3.1Å
231E91.6Very high90.8Very high47 Ų4740 Ų4022%0.2220%0.199CC..THydrogen-bonded Turntrans-66.2-11.1-177.470.9-88.8-152.300115.2L196 C197 F272L196-E231 HydrophobicContact CB-CB 4.37Å; L196-E231 WeakPolarHBondContact CB-O 3.3Å; L196-E231 PolarHBondContact N-O 3.21Å; C197-E231 HydrophobicContact CB-CB 4.21Å; C197-E231 HydrophobicContact CB-CG 3.58Å; C197-E231 PolarHBondContact N-O 3.46Å; E231-F272 HydrophobicContact CB-CD1 4.21Å; E231-F272 HydrophobicContact CB-CD2 3.54Å; E231-F272 HydrophobicContact CB-CE1 4.13Å; E231-F272 HydrophobicContact CB-CE2 3.44Å; E231-F272 VanDerWaalsContact CB-CE2 3.44Å; E231-F272 HydrophobicContact CB-CG 3.94Å; E231-F272 HydrophobicContact CB-CZ 3.76Å; E231-F272 HydrophobicContact CG-CD2 3.71Å; E231-F272 HydrophobicContact CG-CE2 3.63Å; E231-F272 HydrophobicContact CG-CZ 4.39Å
232F90.7Very high90.9Very high120 Ų12039 Ų3953%0.52619%0.193SC..THydrogen-bonded Turntrans-91.6-22.8176.4-57.2-84.6000112.3C197 N230C197-F232 HydrophobicContact CB-CD1 3.89Å; C197-F232 HydrophobicContact CB-CE1 3.73Å; C197-F232 HydrophobicContact CB-CZ 4.21Å; C197-F232 WeakPolarHBondContact SG-CD1 3.49Å; N230-F232 PolarHBondContact O-N 3.43Å; N230-F232 VanDerWaalsContact O-N 3.11Å; N230-F232 WeakPolarHBondContact OD1-CA 3.49Å; N230-F232 WeakPolarHBondContact OD1-CB 3.46Å; N230-F232 PolarHBondContact OD1-N 3.36Å
233N93.8Very high91.1Very high12 Ų1239 Ų396%0.06420%0.195CC..SBendtrans-98.84.2-177.8-67.8-22.9000113.2D228 N230 I245D228-N233 PolarHBondContact O-ND2 3.22Å; D228-N233 PolarHBondContact OD2-ND2 2.93Å; N230-N233 PolarHBondContact ND2-ND2 2.99Å; N230-N233 PolarHBondContact O-N 3.2Å; N230-N233 VanDerWaalsContact O-N 3.12Å; N230-N233 PolarHBondContact OD1-N 3.47Å; N230-N233 VanDerWaalsContact OD1-N 3.1Å; N233-I245 HydrophobicContact CB-CG1 4.49Å; N233-I245 VanDerWaalsContact O-CG1 3.26Å; N233-I245 WeakPolarHBondContact O-CG1 3.45Å; N233-I245 PolarHBondContact O-N 3.25Å
234L94.6Very high91.4Very high2 Ų239 Ų391%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-114.1125.3173.2-60.6-178.3000109.8P195 L196 F229 I242 M244 I269P195-L234 WeakPolarHBondContact CA-O 3.31Å; L196-L234 HydrophobicContact CB-CB 4.26Å; L196-L234 HydrophobicContact CD2-CB 4.48Å; L196-L234 HydrophobicContact CD2-CD1 4.23Å; L196-L234 PolarHBondContact N-O 2.94Å; F229-L234 HydrophobicContact CD2-CD2 4.47Å; F229-L234 HydrophobicContact CE1-CD1 3.87Å; F229-L234 HydrophobicContact CE1-CD2 4.27Å; F229-L234 HydrophobicContact CE2-CD2 3.72Å; F229-L234 HydrophobicContact CZ-CD1 4.02Å; F229-L234 HydrophobicContact CZ-CD2 3.61Å; F229-L234 HydrophobicContact CZ-CG 4.34Å; L234-I242 HydrophobicContact CB-CG2 4.17Å; L234-I242 HydrophobicContact CD1-CG2 4.36Å; L234-I242 HydrophobicContact CD2-CG2 3.73Å; L234-I242 HydrophobicContact CG-CG2 4.3Å; L234-M244 HydrophobicContact CD2-CB 4.49Å; L234-M244 HydrophobicContact CD2-CG 3.86Å; L234-I269 HydrophobicContact CD1-CD1 3.81Å
235I94.4Very high91.5Very high24 Ų2440.9 Ų40.912%0.12321%0.205CC..EExtended strand (participates in β ladder)trans-106.4128.6174.1-59.8175.1000107.8I191 T243 I245I191-I235 HydrophobicContact CD1-CD1 4.13Å; I191-I235 HydrophobicContact CG2-CG2 3.92Å; I235-T243 PolarHBondContact N-O 3.02Å; I235-T243 PolarHBondContact O-N 2.94Å; I235-I245 HydrophobicContact CD1-CD1 3.99Å; I235-I245 HydrophobicContact CD1-CG1 4.44Å; I235-I245 HydrophobicContact CD1-CG2 3.91Å; I235-I245 HydrophobicContact CG1-CD1 4.24Å
236L94.1Very high91.3Very high11 Ų1142.3 Ų42.36%0.05821%0.212CC..EExtended strand (participates in β ladder)trans-98.1127.6173.8-154.6102.6000109.2G193 Y194 L196 V208 D240 I242G193-L236 WeakPolarHBondContact CA-O 3.31Å; Y194-L236 PolarHBondContact N-O 3.22Å; Y194-L236 PolarHBondContact O-N 3.35Å; L196-L236 HydrophobicContact CD1-CD1 4.1Å; V208-L236 HydrophobicContact CG1-CD1 3.66Å; V208-L236 HydrophobicContact CG2-CD1 4.31Å; L236-D240 WeakPolarHBondContact CD2-OD1 3.22Å; L236-I242 HydrophobicContact CD1-CG1 4.23Å
237D90.5Very high91.1Very high51 Ų5142.1 Ų42.127%0.27321%0.212SC..  trans-84171.4172.2-168.918.7000111.1N239 D240 H241D237-N239 PolarHBondContact O-N 3.31Å; D237-N239 VanDerWaalsContact O-N 3.11Å; D237-D240 PolarHBondContact O-N 2.89Å; D237-H241 PolarHBondContact N-O 3.47Å
238E85.8Confident90.8Very high152 Ų15242 Ų4271%0.7121%0.209SC*.THydrogen-bonded Turntrans-61.1-18.6179.1-64.9177.3-170.800113.7N192N192-E238 PolarHBondContact ND2-OE1 3.05Å
239N85.3Confident90.5Very high115 Ų11541.4 Ų41.462%0.61520%0.204SC*.THydrogen-bonded Turntrans-99.120.9177.1-56-62.7000112.8D237 H241D237-N239 PolarHBondContact O-N 3.31Å; D237-N239 VanDerWaalsContact O-N 3.11Å; N239-H241 PolarHBondContact O-N 2.86Å
240D83.5Confident90.3Very high49 Ų4941.3 Ų41.326%0.26220%0.204SC..SBendtrans59.814.1-178-67.6-22.3000115.6V208 L236 D237V208-D240 HydrophobicContact CG2-CB 4.12Å; L236-D240 WeakPolarHBondContact CD2-OD1 3.22Å; D237-D240 PolarHBondContact O-N 2.89Å
241H89.9Confident90Very high109 Ų10941.6 Ų41.651%0.50521%0.207SC..  trans-79.7137.1176.1-71.8-46.8000112.5E211 D237 N239E211-H241 IonicContact OE2-ND1 3.2Å; D237-H241 PolarHBondContact N-O 3.47Å; N239-H241 PolarHBondContact O-N 2.86Å
242I94.5Very high89.8Confident2 Ų240.4 Ų40.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-91.8126.3-177.2-57.7178.1000110.1P174 V208 E211 A212 L215 L234 L236P174-I242 WeakPolarHBondContact CB-O 3.34Å; P174-I242 WeakPolarHBondContact CG-O 3.38Å; V208-I242 HydrophobicContact CG1-CD1 3.69Å; V208-I242 HydrophobicContact CG1-CG1 4.01Å; V208-I242 VanDerWaalsContact O-CD1 3.31Å; V208-I242 WeakPolarHBondContact O-CD1 3.48Å; E211-I242 HydrophobicContact CB-CD1 4.09Å; E211-I242 HydrophobicContact CG-CD1 4.1Å; E211-I242 HydrophobicContact CG-CG1 4.35Å; E211-I242 WeakPolarHBondContact OE1-CB 3.31Å; E211-I242 PolarHBondContact OE1-N 3.17Å; A212-I242 HydrophobicContact CB-CD1 3.74Å; L215-I242 HydrophobicContact CD1-CB 4.2Å; L215-I242 HydrophobicContact CD1-CG2 4.03Å; L234-I242 HydrophobicContact CB-CG2 4.17Å; L234-I242 HydrophobicContact CD1-CG2 4.36Å; L234-I242 HydrophobicContact CD2-CG2 3.73Å; L234-I242 HydrophobicContact CG-CG2 4.3Å; L236-I242 HydrophobicContact CD1-CG1 4.23Å
243T95.9Very high89.7Confident22 Ų2235.3 Ų35.314%0.13518%0.182CC..EExtended strand (participates in β ladder)trans-112.5126.5168.8-53.20000110.8I191 I235I191-T243 HydrophobicContact CD1-CG2 3.33Å; I191-T243 HydrophobicContact CG1-CG2 4.13Å; I235-T243 PolarHBondContact N-O 3.02Å; I235-T243 PolarHBondContact O-N 2.94Å
244M95.9Very high89.4Confident1 Ų138.5 Ų38.51%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-85.7143.8178.9-59.6179.1-70.500111.3F173 P174 V175 P176 L215 L219 F229 L234 F247F173-M244 HydrophobicContact CB-CE 4.17Å; F173-M244 HydrophobicContact CD1-CE 3.84Å; F173-M244 HydrophobicContact CG-CE 4.44Å; P174-M244 HydrophobicContact CG-CE 4.34Å; P174-M244 PolarHBondContact O-N 3.14Å; V175-M244 HydrophobicContact CG1-CB 4.39Å; V175-M244 HydrophobicContact CG1-CE 4.12Å; P176-M244 VanDerWaalsContact CD-O 3.28Å; P176-M244 WeakPolarHBondContact CD-O 3.37Å; L215-M244 HydrophobicContact CB-SD 4.14Å; L215-M244 HydrophobicContact CD1-CE 4.5Å; L215-M244 HydrophobicContact CD1-CG 4.16Å; L215-M244 HydrophobicContact CD1-SD 4.16Å; L215-M244 HydrophobicContact CD2-CE 4.16Å; L219-M244 HydrophobicContact CD1-CE 4.45Å; L219-M244 HydrophobicContact CD1-SD 3.88Å; F229-M244 HydrophobicContact CE2-CG 4.03Å; F229-M244 HydrophobicContact CE2-SD 3.68Å; F229-M244 HydrophobicContact CZ-SD 4.38Å; L234-M244 HydrophobicContact CD2-CB 4.49Å; L234-M244 HydrophobicContact CD2-CG 3.86Å; M244-F247 HydrophobicContact CB-CE1 4.04Å; M244-F247 HydrophobicContact CB-CZ 4.29Å; M244-F247 WeakPolarHBondContact O-CZ 3.4Å
245I93.6Very high88.9Confident40 Ų4042 Ų4221%0.20522%0.221CC..  trans-137.7166.2174.659.1160.7000111.5P176 I191 H226 N233 I235P176-I245 HydrophobicContact CG-CG2 4.06Å; I191-I245 HydrophobicContact CD1-CG2 4.19Å; H226-I245 PolarHBondContact NE2-O 2.93Å; N233-I245 HydrophobicContact CB-CG1 4.49Å; N233-I245 VanDerWaalsContact O-CG1 3.26Å; N233-I245 WeakPolarHBondContact O-CG1 3.45Å; N233-I245 PolarHBondContact O-N 3.25Å; I235-I245 HydrophobicContact CD1-CD1 3.99Å; I235-I245 HydrophobicContact CD1-CG1 4.44Å; I235-I245 HydrophobicContact CD1-CG2 3.91Å; I235-I245 HydrophobicContact CG1-CD1 4.24Å
246D89.3Confident88.4Confident33 Ų3346.4 Ų46.418%0.17625%0.252CS..  trans68.877173.9-151.115.4000115.8K123 H226 P248K123-D246 IonicContact NZ-OD1 3.18Å; K123-D246 PolarHBondContact NZ-OD1 3.14Å; H226-D246 PolarHBondContact CE1-O 3.2Å; D246-P248 WeakPolarHBondContact O-CD 3.46Å; D246-P248 WeakPolarHBondContact OD1-CD 3.41Å; D246-P248 WeakPolarHBondContact OD1-CG 3.44Å
247F86.7Confident88.1Confident1 Ų150.2 Ų50.20%0.00427%0.272CS..  trans-94.25.8-176.6-46.8-61000118.4E161 Y164 M165 L168 V175 H226 M244 Q249 M250E161-F247 HydrophobicContact CG-CB 4.48Å; E161-F247 HydrophobicContact CG-CD2 4.31Å; Y164-F247 HydrophobicContact CD2-CB 4.07Å; Y164-F247 WeakPolarHBondContact CD2-O 3.49Å; Y164-F247 WeakPolarHBondContact CE2-O 3.28Å; Y164-F247 HydrophobicContact CG-CB 4.25Å; M165-F247 HydrophobicContact CB-CD2 4.03Å; M165-F247 HydrophobicContact CB-CE2 4.08Å; M165-F247 HydrophobicContact CE-CD2 4.29Å; M165-F247 HydrophobicContact CE-CE2 4.08Å; M165-F247 HydrophobicContact CG-CE2 4.14Å; L168-F247 HydrophobicContact CD1-CD1 3.83Å; L168-F247 HydrophobicContact CD1-CE1 3.81Å; L168-F247 HydrophobicContact CD1-CG 4.23Å; L168-F247 HydrophobicContact CD1-CZ 4.18Å; V175-F247 HydrophobicContact CB-CE2 4.31Å; V175-F247 HydrophobicContact CB-CZ 3.93Å; V175-F247 HydrophobicContact CG1-CE1 4.11Å; V175-F247 HydrophobicContact CG1-CE2 4.25Å; V175-F247 HydrophobicContact CG1-CZ 3.48Å; V175-F247 VanDerWaalsContact CG1-CZ 3.48Å; H226-F247 AromaticContact NE2-CD1 3.89Å; M244-F247 HydrophobicContact CB-CE1 4.04Å; M244-F247 HydrophobicContact CB-CZ 4.29Å; M244-F247 WeakPolarHBondContact O-CZ 3.4Å; F247-Q249 PolarHBondContact O-N 3.12Å; F247-M250 HydrophobicContact CB-CG 4.12Å; F247-M250 HydrophobicContact CB-SD 3.72Å; F247-M250 HydrophobicContact CD1-SD 3.91Å; F247-M250 HydrophobicContact CG-SD 4.16Å; F247-M250 VanDerWaalsContact O-CG 3.31Å; F247-M250 WeakPolarHBondContact O-CG 3.25Å; F247-M250 PolarHBondContact O-N 3.48Å
248P80.9Confident88Confident5 Ų547.9 Ų47.93%0.03226%0.26CS..THydrogen-bonded Turntrans-70.4-20.6-17429.3-33.5000113.4S157 K160 D246S157-P248 WeakPolarHBondContact OG-CB 3.47Å; K160-P248 WeakPolarHBondContact CE-O 3.36Å; D246-P248 WeakPolarHBondContact O-CD 3.46Å; D246-P248 WeakPolarHBondContact OD1-CD 3.41Å; D246-P248 WeakPolarHBondContact OD1-CG 3.44Å
249Q84Confident88.2Confident50 Ų5044.6 Ų44.623%0.23424%0.244CC..THydrogen-bonded Turntrans-913.8-179.2-55-48.8-43.900114.3H226 D228 F247H226-Q249 CarbonylContact O-C 3.56Å; D228-Q249 HydrophobicContact CB-CB 4.49Å; F247-Q249 PolarHBondContact O-N 3.12Å
250M88.6Confident88.5Confident0 Ų046.2 Ų46.20%024%0.242CC..  trans-63.3139.5-178.8-60.3-175.888.500112.3K160 Y164 L168 L219 L224 I225 H226 F247K160-M250 PolarHBondContact NZ-O 3.15Å; Y164-M250 HydrophobicContact CD1-SD 3.86Å; Y164-M250 HydrophobicContact CD2-CB 4.24Å; Y164-M250 HydrophobicContact CD2-CG 4.36Å; Y164-M250 HydrophobicContact CD2-SD 4Å; Y164-M250 HydrophobicContact CE1-CB 4.25Å; Y164-M250 HydrophobicContact CE1-SD 4.33Å; Y164-M250 HydrophobicContact CE2-CB 3.68Å; Y164-M250 HydrophobicContact CE2-CG 4.28Å; Y164-M250 HydrophobicContact CE2-SD 4.34Å; Y164-M250 HydrophobicContact CG-SD 3.72Å; Y164-M250 PolarHBondContact OH-O 3.47Å; L168-M250 HydrophobicContact CD1-CE 4.23Å; L168-M250 HydrophobicContact CD1-SD 4.17Å; L219-M250 HydrophobicContact CD2-CE 3.84Å; L224-M250 HydrophobicContact CB-CE 3.79Å; L224-M250 HydrophobicContact CD1-CE 3.93Å; L224-M250 HydrophobicContact CG-CE 4.38Å; I225-M250 CarbonylContact O-C 3.46Å; I225-M250 VanDerWaalsContact O-CA 3.23Å; I225-M250 WeakPolarHBondContact O-CA 3.43Å; H226-M250 WeakPolarHBondContact O-CA 3.37Å; H226-M250 PolarHBondContact O-N 2.79Å; F247-M250 HydrophobicContact CB-CG 4.12Å; F247-M250 HydrophobicContact CB-SD 3.72Å; F247-M250 HydrophobicContact CD1-SD 3.91Å; F247-M250 HydrophobicContact CG-SD 4.16Å; F247-M250 VanDerWaalsContact O-CG 3.31Å; F247-M250 WeakPolarHBondContact O-CG 3.25Å; F247-M250 PolarHBondContact O-N 3.48Å
251V86.7Confident88.9Confident28 Ų2846.7 Ų46.717%0.1724%0.241CC..EExtended strand (participates in β ladder)trans-122.1153.2-179.2-59.40000111I225 Y261I225-V251 HydrophobicContact CB-CG2 3.74Å; I225-V251 HydrophobicContact CD1-CG2 4.29Å; I225-V251 HydrophobicContact CG1-CG2 4.46Å; I225-V251 HydrophobicContact CG2-CG2 4.31Å; I225-V251 PolarHBondContact N-O 3.35Å; I225-V251 PolarHBondContact O-N 3.47Å; V251-Y261 HydrophobicContact CG2-CD2 3.94Å; V251-Y261 HydrophobicContact CG2-CG 4.19Å
252S88.4Confident89.1Confident22 Ų2241.6 Ų41.615%0.15422%0.217CC..EExtended strand (participates in β ladder)trans-73.6145.7173.5169.60000110.4S254 H255 D297S252-S254 PolarHBondContact O-N 2.94Å; S252-S254 WeakPolarHBondContact OG-CB 3.21Å; S252-S254 PolarHBondContact OG-N 3.36Å; S252-S254 PolarHBondContact OG-OG 2.79Å; S252-H255 WeakPolarHBondContact O-CB 3.17Å; S252-H255 PolarHBondContact O-N 3.46Å; S252-H255 VanDerWaalsContact O-N 3.1Å; S252-D297 PolarHBondContact OG-OD2 3.36Å
253T87.9Confident89Confident13 Ų1344.6 Ų44.68%0.0823%0.233CC..THydrogen-bonded Turntrans-64.2-13.2168.749.50000113.3A220 G223 I225 H255 A258 F287 R292A220-T253 HydrophobicContact CB-CG2 4.46Å; G223-T253 WeakPolarHBondContact CA-OG1 3.35Å; G223-T253 PolarHBondContact O-N 3.43Å; G223-T253 PolarHBondContact O-OG1 2.92Å; G223-T253 VanDerWaalsContact O-OG1 3.07Å; I225-T253 HydrophobicContact CD1-CG2 4.02Å; I225-T253 HydrophobicContact CG1-CG2 3.71Å; T253-H255 VanDerWaalsContact C-N 3.26Å; T253-A258 WeakPolarHBondContact O-CB 3.5Å; T253-F287 HydrophobicContact CG2-CE2 4.46Å; T253-R292 PolarHBondContact OG1-NE 2.94Å; T253-R292 PolarHBondContact OG1-NH2 2.94Å
254S86.3Confident88.9Confident79 Ų7947.1 Ų47.155%0.55224%0.24SC*.THydrogen-bonded Turntrans-79.7-6.8173.2-46.90000113.1S252 R292S252-S254 PolarHBondContact O-N 2.94Å; S252-S254 WeakPolarHBondContact OG-CB 3.21Å; S252-S254 PolarHBondContact OG-N 3.36Å; S252-S254 PolarHBondContact OG-OG 2.79Å; S254-R292 VanDerWaalsContact N-NH2 3.2Å; S254-R292 PolarHBondContact OG-NH2 3.13Å
255H84.9Confident88.8Confident74 Ų7447.2 Ų47.234%0.34324%0.241SC..SBendtrans-69143-177-173.9-88.5000111.1S252 T253 N257 A258S252-H255 WeakPolarHBondContact O-CB 3.17Å; S252-H255 PolarHBondContact O-N 3.46Å; S252-H255 VanDerWaalsContact O-N 3.1Å; T253-H255 VanDerWaalsContact C-N 3.26Å; H255-N257 PolarHBondContact ND1-N 3.05Å; H255-N257 PolarHBondContact O-N 2.9Å; H255-N257 VanDerWaalsContact O-N 3.13Å; H255-A258 HydrophobicContact CB-CB 4.38Å; H255-A258 WeakPolarHBondContact O-CB 3.49Å; H255-A258 PolarHBondContact O-N 2.75Å
256P84.2Confident88.9Confident118 Ų11845.6 Ų45.677%0.76623%0.233SC*.THydrogen-bonded Turntrans-54.2-37.4-179-28.234.9000114
257N87Confident89.1Confident90 Ų9050 Ų5048%0.48125%0.251SS..THydrogen-bonded Turntrans-95.318.8179-57.2-19.7000113.6H255 E259 W260 Y261H255-N257 PolarHBondContact ND1-N 3.05Å; H255-N257 PolarHBondContact O-N 2.9Å; H255-N257 VanDerWaalsContact O-N 3.13Å; N257-E259 PolarHBondContact O-N 2.79Å; N257-W260 PolarHBondContact O-N 3.24Å; N257-Y261 HydrophobicContact CB-CD2 4.22Å; N257-Y261 HydrophobicContact CB-CE2 3.94Å; N257-Y261 WeakPolarHBondContact O-CD2 3.13Å; N257-Y261 PolarHBondContact O-N 2.9Å; N257-Y261 VanDerWaalsContact O-N 3.16Å
258A88Confident89.5Confident2 Ų252.3 Ų52.32%0.01727%0.266CS..Hα-helixtrans-56.7-46.4-176.800000112.6I225 T253 H255 W260 Y261 F262 F287I225-A258 HydrophobicContact CD1-CB 3.65Å; I225-A258 VanDerWaalsContact CD1-O 3.29Å; I225-A258 WeakPolarHBondContact CD1-O 3.41Å; T253-A258 WeakPolarHBondContact O-CB 3.5Å; H255-A258 HydrophobicContact CB-CB 4.38Å; H255-A258 WeakPolarHBondContact O-CB 3.49Å; H255-A258 PolarHBondContact O-N 2.75Å; A258-W260 VanDerWaalsContact C-N 3.31Å; A258-W260 PolarHBondContact O-N 2.91Å; A258-Y261 PolarHBondContact O-N 2.87Å; A258-Y261 VanDerWaalsContact O-N 3.16Å; A258-F262 PolarHBondContact O-N 3.01Å; A258-F287 HydrophobicContact CB-CE2 3.94Å; A258-F287 HydrophobicContact CB-CZ 3.81Å
259E91.6Very high90.1Very high83 Ų8352 Ų5239%0.38826%0.264SS..Hα-helixtrans-56-45.4177.9-176.4167.9-155.100111.3N257 Y261 F262 D263 F287N257-E259 PolarHBondContact O-N 2.79Å; E259-Y261 PolarHBondContact O-N 3.03Å; E259-F262 PolarHBondContact O-N 3.33Å; E259-D263 WeakPolarHBondContact O-CB 2.9Å; E259-D263 PolarHBondContact O-N 3.21Å; E259-F287 HydrophobicContact CB-CB 4.27Å; E259-F287 HydrophobicContact CB-CD1 3.88Å; E259-F287 HydrophobicContact CB-CD2 4.46Å; E259-F287 HydrophobicContact CB-CE1 4.36Å; E259-F287 HydrophobicContact CB-CG 3.94Å; E259-F287 HydrophobicContact CG-CB 3.86Å; E259-F287 HydrophobicContact CG-CD1 4.14Å; E259-F287 HydrophobicContact CG-CG 4.07Å
260W91.4Very high90.6Very high150 Ų15053.3 Ų53.357%0.56827%0.267SS*.Hα-helixtrans-62.3-41.9177.6-17588.9000113.3N257 A258 R264N257-W260 PolarHBondContact O-N 3.24Å; A258-W260 VanDerWaalsContact C-N 3.31Å; A258-W260 PolarHBondContact O-N 2.91Å; W260-R264 VanDerWaalsContact O-CB 3.26Å; W260-R264 WeakPolarHBondContact O-CB 3.38Å; W260-R264 PolarHBondContact O-N 2.9Å
261Y91.2Very high90.9Very high59 Ų5957.1 Ų57.123%0.23129%0.287CS..Hα-helixtrans-66.1-41.5177.9-74.5-65.3000111.8V251 N257 A258 E259 D265V251-Y261 HydrophobicContact CG2-CD2 3.94Å; V251-Y261 HydrophobicContact CG2-CG 4.19Å; N257-Y261 HydrophobicContact CB-CD2 4.22Å; N257-Y261 HydrophobicContact CB-CE2 3.94Å; N257-Y261 WeakPolarHBondContact O-CD2 3.13Å; N257-Y261 PolarHBondContact O-N 2.9Å; N257-Y261 VanDerWaalsContact O-N 3.16Å; A258-Y261 PolarHBondContact O-N 2.87Å; A258-Y261 VanDerWaalsContact O-N 3.16Å; E259-Y261 PolarHBondContact O-N 3.03Å; Y261-D265 WeakPolarHBondContact O-CB 3.32Å; Y261-D265 VanDerWaalsContact O-CG 3.28Å; Y261-D265 PolarHBondContact O-N 3.03Å
262F94.1Very high91.2Very high1 Ų156.5 Ų56.50%0.00428%0.282CS..Hα-helixtrans-62.7-51.6177.5-178.7-87.5000111.4I216 A220 I225 A258 E259 R264 D265 V266 P285 F287 I290I216-F262 HydrophobicContact CG2-CD2 3.95Å; I216-F262 HydrophobicContact CG2-CE2 3.48Å; I216-F262 VanDerWaalsContact CG2-CE2 3.48Å; I216-F262 HydrophobicContact CG2-CZ 3.94Å; A220-F262 HydrophobicContact CB-CD2 4.06Å; A220-F262 HydrophobicContact CB-CE2 3.77Å; I225-F262 HydrophobicContact CD1-CB 4.35Å; I225-F262 HydrophobicContact CG2-CB 4.47Å; A258-F262 PolarHBondContact O-N 3.01Å; E259-F262 PolarHBondContact O-N 3.33Å; F262-R264 VanDerWaalsContact C-N 3.25Å; F262-R264 PolarHBondContact O-N 3.48Å; F262-D265 PolarHBondContact O-N 2.83Å; F262-D265 VanDerWaalsContact O-N 3.13Å; F262-V266 HydrophobicContact CD1-CG2 4.12Å; F262-V266 HydrophobicContact CE1-CG2 3.74Å; F262-V266 HydrophobicContact CZ-CG2 4.14Å; F262-V266 WeakPolarHBondContact O-CG2 3.42Å; F262-V266 PolarHBondContact O-N 2.91Å; F262-P285 HydrophobicContact CZ-CB 4.24Å; F262-P285 HydrophobicContact CZ-CG 4.39Å; F262-F287 HydrophobicContact CB-CD2 3.7Å; F262-F287 HydrophobicContact CB-CE2 4.44Å; F262-F287 HydrophobicContact CD1-CB 3.97Å; F262-F287 HydrophobicContact CD1-CD2 4.31Å; F262-F287 HydrophobicContact CD2-CD2 4.3Å; F262-F287 HydrophobicContact CG-CB 4.38Å; F262-F287 AromaticContact CG-CD2 3.86Å; F262-F287 HydrophobicContact CG-CD2 3.86Å; F262-I290 HydrophobicContact CD2-CD1 3.93Å; F262-I290 HydrophobicContact CE2-CD1 3.85Å; F262-I290 HydrophobicContact CE2-CG1 4.2Å; F262-I290 HydrophobicContact CG-CD1 4.43Å; F262-I290 HydrophobicContact CZ-CD1 4.31Å; F262-I290 HydrophobicContact CZ-CG1 4.42Å
263D92.9Very high91.5Very high66 Ų6655.4 Ų55.435%0.35328%0.275SS..Hα-helixtrans-63.3-34.6-178.6-70.3-17.1000111.9E259 K267E259-D263 WeakPolarHBondContact O-CB 2.9Å; E259-D263 PolarHBondContact O-N 3.21Å; D263-K267 VanDerWaalsContact O-CB 3.23Å; D263-K267 WeakPolarHBondContact O-CB 3.49Å; D263-K267 PolarHBondContact O-N 3Å
264R92.9Very high91.7Very high74 Ų7459.6 Ų59.628%0.27930%0.295SS..Hα-helixtrans-66.2-44.5174.9-172.3-160.164.8-175.1-7.2111.5G227 W260 F262 K267 C268G227-R264 PolarHBondContact O-NH2 2.66Å; W260-R264 VanDerWaalsContact O-CB 3.26Å; W260-R264 WeakPolarHBondContact O-CB 3.38Å; W260-R264 PolarHBondContact O-N 2.9Å; F262-R264 VanDerWaalsContact C-N 3.25Å; F262-R264 PolarHBondContact O-N 3.48Å; R264-K267 PolarHBondContact O-N 3.25Å; R264-C268 WeakPolarHBondContact O-CB 3.46Å; R264-C268 PolarHBondContact O-N 3.29Å; R264-C268 PolarHBondContact O-SG 3.35Å
265D94.8Very high92Very high3 Ų364.7 Ų64.72%0.01631%0.307CS..Hα-helixtrans-62.6-43.5178.2-74.6-0.8000110.6G227 F229 Y261 F262 C268 I269G227-D265 PolarHBondContact N-OD2 2.82Å; F229-D265 HydrophobicContact CB-CB 3.66Å; F229-D265 PolarHBondContact N-OD1 3.35Å; Y261-D265 WeakPolarHBondContact O-CB 3.32Å; Y261-D265 VanDerWaalsContact O-CG 3.28Å; Y261-D265 PolarHBondContact O-N 3.03Å; F262-D265 PolarHBondContact O-N 2.83Å; F262-D265 VanDerWaalsContact O-N 3.13Å; D265-C268 PolarHBondContact O-N 2.93Å; D265-I269 PolarHBondContact O-N 3.4Å
266V94.9Very high92.3Very high6 Ų665.3 Ų65.34%0.03631%0.306CS..Hα-helixtrans-60.4-47.9173.2171.90000111.2M213 I216 F262 C268 I269 R270 F284 P285M213-V266 HydrophobicContact CE-CG1 4.06Å; M213-V266 HydrophobicContact SD-CG1 4.11Å; M213-V266 HydrophobicContact SD-CG2 4.48Å; I216-V266 HydrophobicContact CD1-CG2 4.24Å; I216-V266 HydrophobicContact CG2-CG2 4.06Å; F262-V266 HydrophobicContact CD1-CG2 4.12Å; F262-V266 HydrophobicContact CE1-CG2 3.74Å; F262-V266 HydrophobicContact CZ-CG2 4.14Å; F262-V266 WeakPolarHBondContact O-CG2 3.42Å; F262-V266 PolarHBondContact O-N 2.91Å; V266-C268 VanDerWaalsContact C-N 3.34Å; V266-C268 PolarHBondContact O-N 3.29Å; V266-I269 PolarHBondContact O-N 2.91Å; V266-R270 HydrophobicContact CG1-CG 4.43Å; V266-R270 WeakPolarHBondContact O-CG 3.33Å; V266-R270 PolarHBondContact O-N 3.1Å; V266-F284 HydrophobicContact CG1-CB 4.3Å; V266-P285 HydrophobicContact CG2-CG 4.21Å
267K94Very high92.7Very high127 Ų12761.2 Ų61.255%0.55228%0.276SS*.Hα-helixtrans-62-40.4-179.6-176.3174.7179.9177.30112.3D263 R264 I269 R270 D271D263-K267 VanDerWaalsContact O-CB 3.23Å; D263-K267 WeakPolarHBondContact O-CB 3.49Å; D263-K267 PolarHBondContact O-N 3Å; R264-K267 PolarHBondContact O-N 3.25Å; K267-I269 VanDerWaalsContact C-N 3.31Å; K267-I269 PolarHBondContact O-N 2.86Å; K267-R270 PolarHBondContact O-N 2.93Å; K267-D271 WeakPolarHBondContact CE-OD2 3.48Å; K267-D271 WeakPolarHBondContact CG-OD2 3.34Å; K267-D271 WeakPolarHBondContact O-CB 3.23Å; K267-D271 PolarHBondContact O-N 3.35Å
268C94.4Very high92.9Very high48 Ų4862.3 Ų62.332%0.32429%0.291SS..Hα-helixtrans-56.9-44.6177.6-78.90000112F229 R264 D265 V266 F272F229-C268 WeakPolarHBondContact O-CB 3.46Å; R264-C268 WeakPolarHBondContact O-CB 3.46Å; R264-C268 PolarHBondContact O-N 3.29Å; R264-C268 PolarHBondContact O-SG 3.35Å; D265-C268 PolarHBondContact O-N 2.93Å; V266-C268 VanDerWaalsContact C-N 3.34Å; V266-C268 PolarHBondContact O-N 3.29Å; C268-F272 VanDerWaalsContact O-CB 3.29Å; C268-F272 WeakPolarHBondContact O-CB 3.34Å; C268-F272 PolarHBondContact O-N 3.43Å; C268-F272 VanDerWaalsContact O-N 3.08Å
269I94.8Very high93.1Very high0 Ų065 Ų650%030%0.301CS..Hα-helixtrans-68-45.5177.1-61.4-57.8000111.1Y209 A212 M213 I216 F229 L234 D265 V266 K267 D271 F272 F273Y209-I269 HydrophobicContact CD2-CG2 4.14Å; Y209-I269 HydrophobicContact CE2-CG2 4.26Å; A212-I269 HydrophobicContact CB-CG2 4.27Å; M213-I269 HydrophobicContact CE-CB 3.77Å; M213-I269 HydrophobicContact CE-CG2 3.66Å; I216-I269 HydrophobicContact CD1-CG1 4.26Å; F229-I269 HydrophobicContact CD1-CD1 3.65Å; F229-I269 HydrophobicContact CD1-CG1 3.5Å; F229-I269 VanDerWaalsContact CD1-CG1 3.5Å; F229-I269 HydrophobicContact CE1-CD1 3.79Å; F229-I269 HydrophobicContact CE1-CG1 3.72Å; L234-I269 HydrophobicContact CD1-CD1 3.81Å; D265-I269 PolarHBondContact O-N 3.4Å; V266-I269 PolarHBondContact O-N 2.91Å; K267-I269 VanDerWaalsContact C-N 3.31Å; K267-I269 PolarHBondContact O-N 2.86Å; I269-D271 PolarHBondContact O-N 3.18Å; I269-F272 PolarHBondContact O-N 2.92Å; I269-F273 HydrophobicContact CG2-CD2 3.68Å; I269-F273 HydrophobicContact CG2-CE2 3.71Å; I269-F273 VanDerWaalsContact O-CD2 3.31Å; I269-F273 WeakPolarHBondContact O-CD2 3.17Å; I269-F273 PolarHBondContact O-N 3.17Å
270R94.2Very high93Very high76 Ų7667.9 Ų67.929%0.28732%0.315SS..Hα-helixtrans-56.8-51.4177.6-71.1-178.165.9-172.10.2112.5Y209 M213 V266 K267 F272 F273 M274 F284Y209-R270 HydrophobicContact CE2-CG 4.09Å; Y209-R270 WeakPolarHBondContact OH-CG 3.49Å; M213-R270 HydrophobicContact CE-CG 3.72Å; V266-R270 HydrophobicContact CG1-CG 4.43Å; V266-R270 WeakPolarHBondContact O-CG 3.33Å; V266-R270 PolarHBondContact O-N 3.1Å; K267-R270 PolarHBondContact O-N 2.93Å; R270-F272 VanDerWaalsContact C-N 3.26Å; R270-F272 PolarHBondContact O-N 2.71Å; R270-F273 PolarHBondContact O-N 3.46Å; R270-M274 WeakPolarHBondContact O-CB 3.44Å; R270-M274 PolarHBondContact O-N 3.21Å; R270-F284 VanDerWaalsContact NH1-CD1 3.27Å
271D94Very high92.7Very high80 Ų8061.3 Ų61.343%0.42829%0.292SS..Hα-helixtrans-62.1-37-179.6-70.5-13.8000110.8K267 I269 K275K267-D271 WeakPolarHBondContact CE-OD2 3.48Å; K267-D271 WeakPolarHBondContact CG-OD2 3.34Å; K267-D271 WeakPolarHBondContact O-CB 3.23Å; K267-D271 PolarHBondContact O-N 3.35Å; I269-D271 PolarHBondContact O-N 3.18Å; D271-K275 WeakPolarHBondContact O-CB 3.39Å; D271-K275 PolarHBondContact O-N 3.12Å
272F94.1Very high92.2Very high15 Ų1567.6 Ų67.67%0.06632%0.323CS..Hα-helixtrans-66.1-50176.8176.1-98.8000112.4L196 E231 C268 I269 R270 K275 R276 F277L196-F272 HydrophobicContact CD1-CE1 4.4Å; L196-F272 HydrophobicContact CD2-CD1 3.98Å; L196-F272 HydrophobicContact CD2-CE1 3.46Å; L196-F272 VanDerWaalsContact CD2-CE1 3.46Å; L196-F272 HydrophobicContact CD2-CZ 4.23Å; L196-F272 HydrophobicContact CG-CD1 4.49Å; L196-F272 HydrophobicContact CG-CE1 3.52Å; L196-F272 HydrophobicContact CG-CZ 3.87Å; E231-F272 HydrophobicContact CB-CD1 4.21Å; E231-F272 HydrophobicContact CB-CD2 3.54Å; E231-F272 HydrophobicContact CB-CE1 4.13Å; E231-F272 HydrophobicContact CB-CE2 3.44Å; E231-F272 VanDerWaalsContact CB-CE2 3.44Å; E231-F272 HydrophobicContact CB-CG 3.94Å; E231-F272 HydrophobicContact CB-CZ 3.76Å; E231-F272 HydrophobicContact CG-CD2 3.71Å; E231-F272 HydrophobicContact CG-CE2 3.63Å; E231-F272 HydrophobicContact CG-CZ 4.39Å; C268-F272 VanDerWaalsContact O-CB 3.29Å; C268-F272 WeakPolarHBondContact O-CB 3.34Å; C268-F272 PolarHBondContact O-N 3.43Å; C268-F272 VanDerWaalsContact O-N 3.08Å; I269-F272 PolarHBondContact O-N 2.92Å; R270-F272 VanDerWaalsContact C-N 3.26Å; R270-F272 PolarHBondContact O-N 2.71Å; F272-K275 PolarHBondContact O-N 2.66Å; F272-R276 HydrophobicContact CE1-CB 4.41Å; F272-R276 HydrophobicContact CE2-CB 4.19Å; F272-R276 HydrophobicContact CE2-CG 4.42Å; F272-R276 HydrophobicContact CZ-CB 4.11Å; F272-R276 HydrophobicContact CZ-CG 4.07Å; F272-R276 VanDerWaalsContact O-CB 3.25Å; F272-R276 WeakPolarHBondContact O-CB 3.28Å; F272-R276 PolarHBondContact O-N 2.7Å; F272-F277 AromaticContact CE1-CE2 3.71Å; F272-F277 HydrophobicContact CE1-CE2 3.71Å; F272-F277 HydrophobicContact CE1-CZ 4.42Å; F272-F277 HydrophobicContact CZ-CE2 4.3Å
273F93.5Very high91.6Very high0 Ų074.4 Ų74.40%036%0.359CS..Hα-helixtrans-66.1-39.1-179.5-85.3-103.7000112.2L196 P205 V208 Y209 I269 R270 K275 F277 S278 Y279L196-F273 HydrophobicContact CD2-CE2 4.13Å; L196-F273 HydrophobicContact CD2-CZ 4.41Å; P205-F273 WeakPolarHBondContact O-CE1 3.46Å; V208-F273 HydrophobicContact CB-CE1 4.41Å; V208-F273 HydrophobicContact CB-CZ 4.44Å; V208-F273 HydrophobicContact CG1-CE1 4.38Å; V208-F273 HydrophobicContact CG1-CZ 3.97Å; Y209-F273 HydrophobicContact CD2-CB 4.16Å; Y209-F273 HydrophobicContact CD2-CD1 4.16Å; Y209-F273 HydrophobicContact CD2-CD2 4.04Å; Y209-F273 HydrophobicContact CD2-CE2 4.5Å; Y209-F273 AromaticContact CD2-CG 3.86Å; Y209-F273 HydrophobicContact CD2-CG 3.86Å; I269-F273 HydrophobicContact CG2-CD2 3.68Å; I269-F273 HydrophobicContact CG2-CE2 3.71Å; I269-F273 VanDerWaalsContact O-CD2 3.31Å; I269-F273 WeakPolarHBondContact O-CD2 3.17Å; I269-F273 PolarHBondContact O-N 3.17Å; R270-F273 PolarHBondContact O-N 3.46Å; F273-K275 VanDerWaalsContact C-N 3.35Å; F273-K275 PolarHBondContact O-N 2.61Å; F273-F277 AromaticContact CD1-CD2 3.73Å; F273-F277 HydrophobicContact CD1-CD2 3.73Å; F273-F277 HydrophobicContact CD1-CE2 4.3Å; F273-F277 HydrophobicContact CE1-CD2 4.08Å; F273-F277 HydrophobicContact CE1-CE2 4.25Å; F273-F277 HydrophobicContact CG-CD2 4.18Å; F273-F277 CarbonylContact O-C 3.51Å; F273-F277 WeakPolarHBondContact O-CA 3.45Å; F273-F277 PolarHBondContact O-N 3.22Å; F273-S278 PolarHBondContact O-N 2.9Å; F273-Y279 CarbonylContact C-O 3.57Å; F273-Y279 HydrophobicContact CB-CD1 4.41Å; F273-Y279 HydrophobicContact CD1-CD1 4.32Å; F273-Y279 PolarHBondContact O-N 3.11Å
274M93Very high91.2Very high100 Ų10075.8 Ų75.849%0.49336%0.362SS..Hα-helixtrans-62-44174.9-169.3-17689.200111.2R270 S278 Y279R270-M274 WeakPolarHBondContact O-CB 3.44Å; R270-M274 PolarHBondContact O-N 3.21Å; M274-S278 VanDerWaalsContact O-CA 3.27Å; M274-S278 WeakPolarHBondContact O-CA 3.34Å; M274-S278 PolarHBondContact O-N 2.77Å; M274-Y279 VanDerWaalsContact CA-O 3.3Å; M274-Y279 WeakPolarHBondContact CA-O 3.46Å; M274-Y279 PolarHBondContact N-O 3.32Å
275K92.8Very high91Very high187 Ų18773.2 Ų73.281%0.81336%0.355SS*.Hα-helixtrans-76.8-38.5-177.1-174.1176.1-179.3178.30113.5D271 F272 F273D271-K275 WeakPolarHBondContact O-CB 3.39Å; D271-K275 PolarHBondContact O-N 3.12Å; F272-K275 PolarHBondContact O-N 2.66Å; F273-K275 VanDerWaalsContact C-N 3.35Å; F273-K275 PolarHBondContact O-N 2.61Å
276R91.4Very high90.8Very high87 Ų8775.4 Ų75.433%0.32837%0.368SS..Hα-helixtrans-89.9-42-172.6-177.858.164934.9112.8C197 I199 F272C197-R276 PolarHBondContact O-NH1 3.47Å; C197-R276 PolarHBondContact O-NH2 3.03Å; I199-R276 PolarHBondContact O-NH1 3.21Å; F272-R276 HydrophobicContact CE1-CB 4.41Å; F272-R276 HydrophobicContact CE2-CB 4.19Å; F272-R276 HydrophobicContact CE2-CG 4.42Å; F272-R276 HydrophobicContact CZ-CB 4.11Å; F272-R276 HydrophobicContact CZ-CG 4.07Å; F272-R276 VanDerWaalsContact O-CB 3.25Å; F272-R276 WeakPolarHBondContact O-CB 3.28Å; F272-R276 PolarHBondContact O-N 2.7Å
277F91.3Very high90.4Very high32 Ų3277.3 Ų77.314%0.1438%0.376CS..Hα-helixtrans-114.50.1-172.8-54.6-63000113I199 V202 P205 F272 F273 Y279I199-F277 HydrophobicContact CG2-CE1 4.49Å; I199-F277 HydrophobicContact CG2-CZ 4.33Å; V202-F277 HydrophobicContact CB-CE1 4.32Å; V202-F277 HydrophobicContact CG2-CE1 3.74Å; V202-F277 HydrophobicContact CG2-CE2 4.32Å; V202-F277 HydrophobicContact CG2-CZ 3.62Å; P205-F277 HydrophobicContact CB-CB 4.15Å; P205-F277 HydrophobicContact CB-CG 4.46Å; P205-F277 HydrophobicContact CG-CB 4.26Å; F272-F277 AromaticContact CE1-CE2 3.71Å; F272-F277 HydrophobicContact CE1-CE2 3.71Å; F272-F277 HydrophobicContact CE1-CZ 4.42Å; F272-F277 HydrophobicContact CZ-CE2 4.3Å; F273-F277 AromaticContact CD1-CD2 3.73Å; F273-F277 HydrophobicContact CD1-CD2 3.73Å; F273-F277 HydrophobicContact CD1-CE2 4.3Å; F273-F277 HydrophobicContact CE1-CD2 4.08Å; F273-F277 HydrophobicContact CE1-CE2 4.25Å; F273-F277 HydrophobicContact CG-CD2 4.18Å; F273-F277 CarbonylContact O-C 3.51Å; F273-F277 WeakPolarHBondContact O-CA 3.45Å; F273-F277 PolarHBondContact O-N 3.22Å; F277-Y279 PolarHBondContact O-N 3.16Å; F277-Y279 VanDerWaalsContact O-N 3.15Å
278S91.6Very high89.9Confident113 Ų11381.2 Ų81.279%0.7939%0.387SS*.  trans53.631.9-174.7-58.70000112.7F273 M274F273-S278 PolarHBondContact O-N 2.9Å; M274-S278 VanDerWaalsContact O-CA 3.27Å; M274-S278 WeakPolarHBondContact O-CA 3.34Å; M274-S278 PolarHBondContact O-N 2.77Å
279Y91.4Very high89.3Confident57 Ų5783.7 Ų83.722%0.22440%0.397CS..  trans-102.3125178.1177.9-97.8000109.6P205 A206 Y209 F273 M274 F277P205-Y279 HydrophobicContact CB-CG 4.38Å; A206-Y279 HydrophobicContact CB-CD2 4.47Å; A206-Y279 HydrophobicContact CB-CE2 3.6Å; Y209-Y279 AromaticContact CD1-CE1 3.73Å; Y209-Y279 HydrophobicContact CD1-CE1 3.73Å; Y209-Y279 HydrophobicContact CD2-CD1 4.31Å; Y209-Y279 HydrophobicContact CD2-CE1 4.12Å; Y209-Y279 HydrophobicContact CE1-CE1 4.36Å; Y209-Y279 HydrophobicContact CG-CD1 4.13Å; Y209-Y279 AromaticContact CG-CE1 3.58Å; Y209-Y279 HydrophobicContact CG-CE1 3.58Å; F273-Y279 CarbonylContact C-O 3.57Å; F273-Y279 HydrophobicContact CB-CD1 4.41Å; F273-Y279 HydrophobicContact CD1-CD1 4.32Å; F273-Y279 PolarHBondContact O-N 3.11Å; M274-Y279 VanDerWaalsContact CA-O 3.3Å; M274-Y279 WeakPolarHBondContact CA-O 3.46Å; M274-Y279 PolarHBondContact N-O 3.32Å; F277-Y279 PolarHBondContact O-N 3.16Å; F277-Y279 VanDerWaalsContact O-N 3.15Å
280E89.4Confident88.8Confident144 Ų14485.1 Ų85.167%0.67341%0.405SS*.  trans-123.1126.7175.2-173.7170.9-162.700108.5
281S86.9Confident88.2Confident13 Ų1391 Ų919%0.09143%0.427CS..  trans-103.1135.4175.2-175.90000110.3L283S281-L283 VanDerWaalsContact C-N 3.27Å; S281-L283 PolarHBondContact OG-N 3.1Å; S281-L283 PolarHBondContact OG-O 3.43Å; S281-L283 VanDerWaalsContact OG-O 3.1Å
282E79.6Confident87.4Confident191 Ų19193.2 Ų93.289%0.89343%0.43SS*.SBendtrans-74.3-22.3171.7-63.3-177.2178.200111.7
283L81.6Confident86.7Confident143 Ų14399.5 Ų99.575%0.74946%0.459SS*.  trans-100.2120.3-178.2-60.8175.5000109.8Y209 S281Y209-L283 PolarHBondContact OH-O 2.82Å; S281-L283 VanDerWaalsContact C-N 3.27Å; S281-L283 PolarHBondContact OG-N 3.1Å; S281-L283 PolarHBondContact OG-O 3.43Å; S281-L283 VanDerWaalsContact OG-O 3.1Å
284F84.6Confident86Confident95 Ų95101 Ų10142%0.41747%0.467SS..  trans-140.1139.7171.758.5-87.7000109.9V266 R270V266-F284 HydrophobicContact CG1-CB 4.3Å; R270-F284 VanDerWaalsContact NH1-CD1 3.27Å
285P89.2Confident85.5Confident20 Ų2099.5 Ų99.513%0.1346%0.464CS..  trans-71.8142.9178.630-34.1000110.5M213 V217 F262 V266M213-P285 HydrophobicContact CB-CG 4.48Å; M213-P285 HydrophobicContact SD-CG 4.12Å; V217-P285 HydrophobicContact CG2-CB 3.34Å; V217-P285 HydrophobicContact CG2-CG 3.67Å; F262-P285 HydrophobicContact CZ-CB 4.24Å; F262-P285 HydrophobicContact CZ-CG 4.39Å; V266-P285 HydrophobicContact CG2-CG 4.21Å
286T89.3Confident85Confident49 Ų4990.6 Ų90.630%0.30143%0.425SS..  trans-111.3155.2171.9-48.50000109.7R288 D289T286-R288 PolarHBondContact O-N 3.28Å; T286-D289 PolarHBondContact N-OD2 2.92Å; T286-D289 WeakPolarHBondContact O-CB 3.17Å; T286-D289 PolarHBondContact O-N 2.92Å
287F87.1Confident84.4Confident46 Ų4687 Ų8720%0.20241%0.412CS..G310 helixtrans-54.4-28.9179.9-171.6-100.9000113.7I225 T253 A258 E259 F262 D289 I290I225-F287 HydrophobicContact CD1-CE2 4.1Å; T253-F287 HydrophobicContact CG2-CE2 4.46Å; A258-F287 HydrophobicContact CB-CE2 3.94Å; A258-F287 HydrophobicContact CB-CZ 3.81Å; E259-F287 HydrophobicContact CB-CB 4.27Å; E259-F287 HydrophobicContact CB-CD1 3.88Å; E259-F287 HydrophobicContact CB-CD2 4.46Å; E259-F287 HydrophobicContact CB-CE1 4.36Å; E259-F287 HydrophobicContact CB-CG 3.94Å; E259-F287 HydrophobicContact CG-CB 3.86Å; E259-F287 HydrophobicContact CG-CD1 4.14Å; E259-F287 HydrophobicContact CG-CG 4.07Å; F262-F287 HydrophobicContact CB-CD2 3.7Å; F262-F287 HydrophobicContact CB-CE2 4.44Å; F262-F287 HydrophobicContact CD1-CB 3.97Å; F262-F287 HydrophobicContact CD1-CD2 4.31Å; F262-F287 HydrophobicContact CD2-CD2 4.3Å; F262-F287 HydrophobicContact CG-CB 4.38Å; F262-F287 AromaticContact CG-CD2 3.86Å; F262-F287 HydrophobicContact CG-CD2 3.86Å; F287-D289 PolarHBondContact O-N 3.07Å; F287-I290 HydrophobicContact CB-CD1 4.27Å; F287-I290 HydrophobicContact CD2-CD1 3.19Å; F287-I290 HydrophobicContact CE2-CD1 3.5Å; F287-I290 HydrophobicContact CG-CD1 3.79Å; F287-I290 HydrophobicContact CZ-CD1 4.33Å; F287-I290 WeakPolarHBondContact O-CB 3.43Å; F287-I290 VanDerWaalsContact O-CD1 3.22Å; F287-I290 WeakPolarHBondContact O-CD1 3.45Å; F287-I290 VanDerWaalsContact O-CG1 3.29Å; F287-I290 WeakPolarHBondContact O-CG1 3.19Å; F287-I290 PolarHBondContact O-N 3.22Å
288R84.2Confident83.7Confident209 Ų20990.2 Ų90.279%0.78943%0.434SS*.G310 helixtrans-69.5-17.5178.6-61.2179.9-174.2179.90.5113.9T286 I290T286-R288 PolarHBondContact O-N 3.28Å; R288-I290 VanDerWaalsContact C-N 3.3Å
289D81.3Confident82.8Confident100 Ų10089.6 Ų89.654%0.53542%0.419SS..G310 helixtrans-85.1-7.6-177.7-55.7-38.6000112.5T286 F287 R291T286-D289 PolarHBondContact N-OD2 2.92Å; T286-D289 WeakPolarHBondContact O-CB 3.17Å; T286-D289 PolarHBondContact O-N 2.92Å; F287-D289 PolarHBondContact O-N 3.07Å; D289-R291 PolarHBondContact O-N 2.99Å
290I83.9Confident81.8Confident31 Ų3187.4 Ų87.416%0.15941%0.411CS..  trans-70128.2-176.5-59.2162.6000110.2A220 N221 F262 F287 R288A220-I290 VanDerWaalsContact C-CG2 3.49Å; A220-I290 HydrophobicContact CB-CB 4.47Å; A220-I290 HydrophobicContact CB-CD1 3.58Å; A220-I290 HydrophobicContact CB-CG1 3.74Å; A220-I290 HydrophobicContact CB-CG2 3.85Å; A220-I290 WeakPolarHBondContact O-CG2 3.34Å; N221-I290 WeakPolarHBondContact OD1-CG2 3.48Å; F262-I290 HydrophobicContact CD2-CD1 3.93Å; F262-I290 HydrophobicContact CE2-CD1 3.85Å; F262-I290 HydrophobicContact CE2-CG1 4.2Å; F262-I290 HydrophobicContact CG-CD1 4.43Å; F262-I290 HydrophobicContact CZ-CD1 4.31Å; F262-I290 HydrophobicContact CZ-CG1 4.42Å; F287-I290 HydrophobicContact CB-CD1 4.27Å; F287-I290 HydrophobicContact CD2-CD1 3.19Å; F287-I290 HydrophobicContact CE2-CD1 3.5Å; F287-I290 HydrophobicContact CG-CD1 3.79Å; F287-I290 HydrophobicContact CZ-CD1 4.33Å; F287-I290 WeakPolarHBondContact O-CB 3.43Å; F287-I290 VanDerWaalsContact O-CD1 3.22Å; F287-I290 WeakPolarHBondContact O-CD1 3.45Å; F287-I290 VanDerWaalsContact O-CG1 3.29Å; F287-I290 WeakPolarHBondContact O-CG1 3.19Å; F287-I290 PolarHBondContact O-N 3.22Å; R288-I290 VanDerWaalsContact C-N 3.3Å
291R81.2Confident80.7Confident198 Ų19882.4 Ų82.475%0.74739%0.392SS*.  trans-112.1113.1172.9-63.8-178.6-177.5-177.91.6108N221 D289 E293N221-R291 VanDerWaalsContact CA-O 3.31Å; N221-R291 WeakPolarHBondContact CA-O 3.31Å; N221-R291 VanDerWaalsContact CB-O 3.23Å; N221-R291 WeakPolarHBondContact CB-O 3.43Å; N221-R291 PolarHBondContact OD1-N 3.5Å; N221-R291 PolarHBondContact OD1-O 3.33Å; D289-R291 PolarHBondContact O-N 2.99Å; R291-E293 PolarHBondContact O-N 2.68Å; R291-E293 VanDerWaalsContact O-N 3.1Å
292R78.3Confident79.1Confident128 Ų12882.4 Ų82.448%0.48339%0.393SS..  trans-65.7114.7176.5-83.4-166.8176177.94.2110.7N221 T253 S254N221-R292 CarbonylContact O-C 3.6Å; N221-R292 WeakPolarHBondContact O-CA 3Å; T253-R292 PolarHBondContact OG1-NE 2.94Å; T253-R292 PolarHBondContact OG1-NH2 2.94Å; S254-R292 VanDerWaalsContact N-NH2 3.2Å; S254-R292 PolarHBondContact OG-NH2 3.13Å
293E79.7Confident77.4Confident146 Ų14679.1 Ų79.168%0.68239%0.391SS*.  trans-102.5-30.6174.8-65.4-173.5168.200111.5N221 R291N221-E293 HydrophobicContact CB-CG 4.41Å; N221-E293 PolarHBondContact O-N 3.26Å; R291-E293 PolarHBondContact O-N 2.68Å; R291-E293 VanDerWaalsContact O-N 3.1Å
294D77.9Confident75.7Confident33 Ų3373.7 Ų73.718%0.17637%0.37CS..  trans-145.5163.3-176.3-150-16.9000111.4R171 N221 H222R171-D294 IonicContact CZ-OD2 3.17Å; R171-D294 IonicContact NE-OD2 2.68Å; R171-D294 IonicContact NH1-OD2 3.26Å; R171-D294 PolarHBondContact NH1-OD2 2.77Å; R171-D294 IonicContact NH2-OD1 3.16Å; R171-D294 IonicContact NH2-OD2 3.42Å; R171-D294 PolarHBondContact NH2-OD2 3.2Å; R171-D294 VanDerWaalsContact NH2-OD2 3.14Å; N221-D294 PolarHBondContact O-N 2.73Å; H222-D294 CarbonylContact C-O 3.59Å; H222-D294 HydrophobicContact CB-CB 4.34Å; H222-D294 IonicContact CE1-OD2 2.7Å; H222-D294 WeakPolarHBondContact ND1-CB 3.17Å; H222-D294 IonicContact ND1-OD2 2.72Å; H222-D294 PolarHBondContact ND1-OD2 2.6Å
295T82.3Confident74.1Confident68 Ų6871.7 Ų71.742%0.41736%0.36SS..  trans-121.859.6-179.5590000110.8D297 V298 E299T295-D297 VanDerWaalsContact C-OD1 3.27Å; T295-D297 VanDerWaalsContact CA-OD1 3.32Å; T295-D297 WeakPolarHBondContact CA-OD1 3.42Å; T295-D297 PolarHBondContact O-N 2.97Å; T295-V298 PolarHBondContact O-N 3.25Å; T295-V298 VanDerWaalsContact O-N 3.14Å; T295-E299 PolarHBondContact O-N 3.35Å
296L81.9Confident72.5Confident0 Ų071.9 Ų71.90%036%0.36CS..Hα-helixtrans-63.3-25.5176.5-69.4-177.3000111.8A167 L168 R171 H222 L224 V298 E299 V300A167-L296 HydrophobicContact CB-CD2 4.45Å; L168-L296 HydrophobicContact CD2-CD1 4.34Å; R171-L296 HydrophobicContact CG-CD1 4.1Å; R171-L296 HydrophobicContact CG-CD2 4.02Å; H222-L296 HydrophobicContact CB-CD1 3.74Å; H222-L296 HydrophobicContact CB-CG 4.1Å; H222-L296 WeakPolarHBondContact O-CB 3.21Å; H222-L296 PolarHBondContact O-N 2.81Å; L224-L296 HydrophobicContact CD1-CB 3.72Å; L224-L296 HydrophobicContact CD1-CD1 4.03Å; L224-L296 HydrophobicContact CG-CB 4.08Å; L296-V298 VanDerWaalsContact C-N 3.27Å; L296-V298 PolarHBondContact O-N 3.37Å; L296-E299 WeakPolarHBondContact CD2-OE2 3.23Å; L296-E299 PolarHBondContact O-N 3.01Å; L296-V300 WeakPolarHBondContact O-CB 3.36Å; L296-V300 WeakPolarHBondContact O-CG2 3.31Å; L296-V300 PolarHBondContact O-N 2.86Å
297D80.2Confident70.9Confident12 Ų1278.2 Ų78.26%0.06438%0.384CS..Hα-helixtrans-61.2-34.7174.363.8-31.2000113.1L224 S252 T295 S301 A302L224-D297 HydrophobicContact CD2-CB 3.98Å; S252-D297 PolarHBondContact OG-OD2 3.36Å; T295-D297 VanDerWaalsContact C-OD1 3.27Å; T295-D297 VanDerWaalsContact CA-OD1 3.32Å; T295-D297 WeakPolarHBondContact CA-OD1 3.42Å; T295-D297 PolarHBondContact O-N 2.97Å; D297-S301 PolarHBondContact O-N 3.46Å; D297-A302 HydrophobicContact CB-CB 4.2Å; D297-A302 WeakPolarHBondContact O-CB 3.4Å; D297-A302 PolarHBondContact O-N 3.5Å
298V76.4Confident69.4Low98 Ų9882.6 Ų82.659%0.59441%0.405SS*.Hα-helixtrans-76.1-44.1174.4-178.70000110.8T295 L296 S301T295-V298 PolarHBondContact O-N 3.25Å; T295-V298 VanDerWaalsContact O-N 3.14Å; L296-V298 VanDerWaalsContact C-N 3.27Å; L296-V298 PolarHBondContact O-N 3.37Å; V298-S301 PolarHBondContact O-N 3.49Å
299E73.1Confident68.1Low101 Ų10173.4 Ų73.447%0.47237%0.371SS..Hα-helixtrans-61.1-49.7-178.9-177.6172.8-173.600112R171 T295 L296 S301R171-E299 IonicContact NH2-OE2 2.69Å; R171-E299 PolarHBondContact NH2-OE2 3.14Å; T295-E299 PolarHBondContact O-N 3.35Å; L296-E299 WeakPolarHBondContact CD2-OE2 3.23Å; L296-E299 PolarHBondContact O-N 3.01Å; E299-S301 PolarHBondContact O-N 2.86Å
300V70.6Confident67Low11 Ų1173.2 Ų73.27%0.06737%0.367CS..THydrogen-bonded Turntrans-75.6-5.7178.3-175.10000111.4A163 Y164 A167 L296 T306A163-V300 HydrophobicContact CB-CG1 3.86Å; Y164-V300 HydrophobicContact CD1-CB 3.96Å; Y164-V300 HydrophobicContact CD1-CG1 3.45Å; Y164-V300 VanDerWaalsContact CD1-CG1 3.45Å; Y164-V300 HydrophobicContact CD1-CG2 3.95Å; Y164-V300 HydrophobicContact CD2-CG1 4.47Å; Y164-V300 HydrophobicContact CE1-CB 3.77Å; Y164-V300 HydrophobicContact CE1-CG1 3.39Å; Y164-V300 HydrophobicContact CE1-CG2 4.23Å; Y164-V300 HydrophobicContact CG-CG1 3.99Å; A167-V300 HydrophobicContact CB-CG2 3.54Å; L296-V300 WeakPolarHBondContact O-CB 3.36Å; L296-V300 WeakPolarHBondContact O-CG2 3.31Å; L296-V300 PolarHBondContact O-N 2.86Å; V300-T306 WeakPolarHBondContact O-CG2 3.48Å
301S65.6Low65.6Low38 Ų3874.3 Ų74.327%0.26638%0.381SS..THydrogen-bonded Turntrans46.863.6-170-57.40000108.1D297 V298 E299 S303 G304D297-S301 PolarHBondContact O-N 3.46Å; V298-S301 PolarHBondContact O-N 3.49Å; E299-S301 PolarHBondContact O-N 2.86Å; S301-S303 CarbonylContact O-C 3.54Å; S301-S303 PolarHBondContact O-N 2.91Å; S301-G304 PolarHBondContact O-N 2.9Å
302A52.8Low64.4Low14 Ų1468 Ų6812%0.11636%0.362CS..THydrogen-bonded Turntrans-51-14.3-166.800000115.4K160 Y164 D297K160-A302 PolarHBondContact NZ-O 3.06Å; Y164-A302 HydrophobicContact CE1-CB 4.5Å; Y164-A302 WeakPolarHBondContact OH-CA 3.36Å; Y164-A302 VanDerWaalsContact OH-CB 3.23Å; Y164-A302 WeakPolarHBondContact OH-CB 3.44Å; Y164-A302 PolarHBondContact OH-O 2.92Å; D297-A302 HydrophobicContact CB-CB 4.2Å; D297-A302 WeakPolarHBondContact O-CB 3.4Å; D297-A302 PolarHBondContact O-N 3.5Å
303S44.3Very low63.3Low122 Ų12263.6 Ų63.685%0.85335%0.348SS*.THydrogen-bonded Turntrans-76.1-6.7167.359.30000116S301S301-S303 CarbonylContact O-C 3.54Å; S301-S303 PolarHBondContact O-N 2.91Å
304G46.7Very low62.1Low29 Ų2961.8 Ų61.830%0.29934%0.339SS..THydrogen-bonded Turntrans111.234.4158.500000119.3S301S301-G304 PolarHBondContact O-N 2.9Å
305Y49.3Very low61Low53 Ų5366.6 Ų66.621%0.20836%0.364CS..  trans-162.999170.9-115.1-80.4000114.2L156 Q310L156-Y305 HydrophobicContact CD2-CE2 3.79Å; Y305-Q310 HydrophobicContact CD1-CG 3.49Å; Y305-Q310 VanDerWaalsContact CD1-CG 3.49Å; Y305-Q310 HydrophobicContact CE1-CG 3.85Å
306T56.4Low59.7Low23 Ų2366.3 Ų66.314%0.14136%0.36CS..  trans-77.3156.2173.667.30000112V300 E308 M309 Q310V300-T306 WeakPolarHBondContact O-CG2 3.48Å; T306-E308 VanDerWaalsContact C-N 3.33Å; T306-E308 PolarHBondContact O-N 3.41Å; T306-M309 PolarHBondContact O-N 3.32Å; T306-M309 WeakPolarHBondContact OG1-CB 3.5Å; T306-M309 WeakPolarHBondContact OG1-CG 3.22Å; T306-M309 PolarHBondContact OG1-N 3.16Å; T306-Q310 WeakPolarHBondContact O-CG 3.2Å; T306-Q310 PolarHBondContact O-N 2.7Å; T306-Q310 VanDerWaalsContact O-N 3.12Å
307K55.3Low58.1Low182 Ų18267.3 Ų67.379%0.79136%0.364SS*.Hα-helixtrans-63.1-36179.2-70.1-179.5-179.4174.50112.9M309 Q310 A311K307-M309 VanDerWaalsContact C-N 3.35Å; K307-Q310 WeakPolarHBondContact O-CB 3.34Å; K307-Q310 PolarHBondContact O-N 2.72Å; K307-A311 PolarHBondContact O-N 2.85Å; K307-A311 VanDerWaalsContact O-N 3.15Å
308E55.4Low56.4Low138 Ų13871.4 Ų71.465%0.64539%0.391SS*.Hα-helixtrans-67-37.8176.4-62.7-179.8173.300111.4T306 Q310 A311 D312T306-E308 VanDerWaalsContact C-N 3.33Å; T306-E308 PolarHBondContact O-N 3.41Å; E308-Q310 VanDerWaalsContact C-N 3.33Å; E308-Q310 PolarHBondContact O-N 2.94Å; E308-A311 WeakPolarHBondContact O-CB 3.09Å; E308-A311 PolarHBondContact O-N 2.84Å; E308-D312 PolarHBondContact O-N 3.46Å
309M58Low54.6Low16 Ų1672.2 Ų72.28%0.07939%0.392CS..Hα-helixtrans-69.9-29175.7-77.8-177.1151.300113.6M159 A163 Y181 T306 K307 D313M159-M309 HydrophobicContact CB-CE 3.64Å; M159-M309 HydrophobicContact CB-SD 4.02Å; M159-M309 HydrophobicContact CE-CB 3.61Å; M159-M309 HydrophobicContact CE-CE 4.27Å; M159-M309 HydrophobicContact CE-CG 3.82Å; M159-M309 HydrophobicContact CE-SD 3.82Å; M159-M309 HydrophobicContact CG-CE 4.12Å; M159-M309 WeakPolarHBondContact O-CE 3.23Å; A163-M309 HydrophobicContact CB-CE 4.1Å; A163-M309 HydrophobicContact CB-SD 4.33Å; Y181-M309 HydrophobicContact CE2-CE 4.25Å; T306-M309 PolarHBondContact O-N 3.32Å; T306-M309 WeakPolarHBondContact OG1-CB 3.5Å; T306-M309 WeakPolarHBondContact OG1-CG 3.22Å; T306-M309 PolarHBondContact OG1-N 3.16Å; K307-M309 VanDerWaalsContact C-N 3.35Å; M309-D313 WeakPolarHBondContact O-CB 3.41Å; M309-D313 PolarHBondContact O-N 3.44Å
310Q57.7Low52.8Low97 Ų9769 Ų6945%0.45339%0.385SS..Hα-helixtrans-66.5-42.9169.6-66.1174.54.100110.7Y305 T306 K307 E308 D313 E314Y305-Q310 HydrophobicContact CD1-CG 3.49Å; Y305-Q310 VanDerWaalsContact CD1-CG 3.49Å; Y305-Q310 HydrophobicContact CE1-CG 3.85Å; T306-Q310 WeakPolarHBondContact O-CG 3.2Å; T306-Q310 PolarHBondContact O-N 2.7Å; T306-Q310 VanDerWaalsContact O-N 3.12Å; K307-Q310 WeakPolarHBondContact O-CB 3.34Å; K307-Q310 PolarHBondContact O-N 2.72Å; E308-Q310 VanDerWaalsContact C-N 3.33Å; E308-Q310 PolarHBondContact O-N 2.94Å; Q310-D313 PolarHBondContact O-N 2.88Å; Q310-E314 WeakPolarHBondContact O-CB 3.47Å; Q310-E314 PolarHBondContact O-N 3.13Å
311A54.9Low51.5Low53 Ų5373.2 Ų73.244%0.43841%0.413SS..Hα-helixtrans-65.4-39176.600000112.2K307 E308 E314 L315K307-A311 PolarHBondContact O-N 2.85Å; K307-A311 VanDerWaalsContact O-N 3.15Å; E308-A311 WeakPolarHBondContact O-CB 3.09Å; E308-A311 PolarHBondContact O-N 2.84Å; A311-E314 CarbonylContact O-C 3.55Å; A311-E314 PolarHBondContact O-N 2.8Å; A311-L315 WeakPolarHBondContact O-CB 3.34Å; A311-L315 PolarHBondContact O-N 3.33Å
312D55.8Low50Low67 Ų6776.5 Ų76.536%0.35843%0.428SS..Hα-helixtrans-67.1-36.7173.4-90.3-8.3000112.3Y181 E308 E314 L315 L316Y181-D312 PolarHBondContact OH-OD2 2.93Å; E308-D312 PolarHBondContact O-N 3.46Å; D312-E314 VanDerWaalsContact C-N 3.32Å; D312-L315 PolarHBondContact O-N 3.39Å; D312-L316 VanDerWaalsContact O-CB 3.23Å; D312-L316 WeakPolarHBondContact O-CB 3.37Å; D312-L316 PolarHBondContact O-N 2.91Å
313D54.9Low49.4Very low34 Ų3480.7 Ų80.718%0.18245%0.448CS..Hα-helixtrans-65.1-38.3170.7-16649.5000111.2K28 R155 M309 Q310 Y317K28-D313 IonicContact NZ-OD1 3.12Å; R155-D313 IonicContact CZ-OD1 2.7Å; R155-D313 IonicContact NH1-OD1 3.15Å; R155-D313 PolarHBondContact NH1-OD1 3.12Å; R155-D313 IonicContact NH2-OD1 3.66Å; R155-D313 PolarHBondContact NH2-OD1 3.48Å; M309-D313 WeakPolarHBondContact O-CB 3.41Å; M309-D313 PolarHBondContact O-N 3.44Å; Q310-D313 PolarHBondContact O-N 2.88Å; D313-Y317 WeakPolarHBondContact O-CB 3.3Å; D313-Y317 VanDerWaalsContact O-CD2 3.23Å; D313-Y317 WeakPolarHBondContact O-CD2 3.26Å; D313-Y317 PolarHBondContact O-N 3.25Å; D313-Y317 WeakPolarHBondContact OD1-CD2 3.16Å; D313-Y317 VanDerWaalsContact OD1-CE2 3.27Å; D313-Y317 WeakPolarHBondContact OD1-CE2 3.44Å
314E55.5Low48.8Very low108 Ų10883.3 Ų83.351%0.50544%0.444SS..Hα-helixtrans-69.3-33.7175.3-164.9174.2-174.400112.2Q310 A311 D312 Y317 P318Q310-E314 WeakPolarHBondContact O-CB 3.47Å; Q310-E314 PolarHBondContact O-N 3.13Å; A311-E314 CarbonylContact O-C 3.55Å; A311-E314 PolarHBondContact O-N 2.8Å; D312-E314 VanDerWaalsContact C-N 3.32Å; E314-Y317 CarbonylContact O-C 3.58Å; E314-Y317 VanDerWaalsContact O-O 3.11Å; E314-P318 VanDerWaalsContact O-CA 3.23Å; E314-P318 WeakPolarHBondContact O-CA 3.44Å
315L54.9Low48Very low135 Ų13590.2 Ų90.271%0.70747%0.468SS*.Hα-helixtrans-72.8-45.2176.2-175.472.2000111.8A311 D312 Y317A311-L315 WeakPolarHBondContact O-CB 3.34Å; A311-L315 PolarHBondContact O-N 3.33Å; D312-L315 PolarHBondContact O-N 3.39Å; L315-Y317 PolarHBondContact O-N 3.38Å
316L53.1Low47.1Very low61 Ų6195 Ų9532%0.31950%0.496SS..Hα-helixtrans-66.3-26.6176.7-169.562.7000110.8D312D312-L316 VanDerWaalsContact O-CB 3.23Å; D312-L316 WeakPolarHBondContact O-CB 3.37Å; D312-L316 PolarHBondContact O-N 2.91Å
317Y49Very low45.8Very low21 Ų21102.2 Ų102.28%0.08253%0.528CS..SBendtrans-139.483.2178.5-47.2-84.6000111.7E24 M25 K28 D313 E314 L315 L319E24-Y317 HydrophobicContact CG-CE1 4.47Å; E24-Y317 PolarHBondContact OE1-OH 3.18Å; M25-Y317 HydrophobicContact CG-CD1 4.34Å; K28-Y317 HydrophobicContact CD-CD1 4.06Å; K28-Y317 HydrophobicContact CD-CE1 4.36Å; K28-Y317 HydrophobicContact CD-CG 4.24Å; K28-Y317 VanDerWaalsContact CE-CE1 3.44Å; D313-Y317 WeakPolarHBondContact O-CB 3.3Å; D313-Y317 VanDerWaalsContact O-CD2 3.23Å; D313-Y317 WeakPolarHBondContact O-CD2 3.26Å; D313-Y317 PolarHBondContact O-N 3.25Å; D313-Y317 WeakPolarHBondContact OD1-CD2 3.16Å; D313-Y317 VanDerWaalsContact OD1-CE2 3.27Å; D313-Y317 WeakPolarHBondContact OD1-CE2 3.44Å; E314-Y317 CarbonylContact O-C 3.58Å; E314-Y317 VanDerWaalsContact O-O 3.11Å; L315-Y317 PolarHBondContact O-N 3.38Å; Y317-L319 PolarHBondContact O-N 2.72Å; Y317-L319 VanDerWaalsContact O-N 3.15Å
318P44.1Very low44.7Very low98 Ų98100.4 Ų100.464%0.63653%0.532SS*.PPolyproline II helixtrans-56.3124178.2-22.732000110E314 G320E314-P318 VanDerWaalsContact O-CA 3.23Å; E314-P318 WeakPolarHBondContact O-CA 3.44Å; P318-G320 PolarHBondContact O-N 3.48Å; P318-G320 VanDerWaalsContact O-N 3.09Å
319L39.1Very low43.5Very low116 Ų116102.5 Ų102.561%0.60754%0.542SS*.PPolyproline II helixtrans-51.6120.4175.6-73.3169000109Y317 D323Y317-L319 PolarHBondContact O-N 2.72Å; Y317-L319 VanDerWaalsContact O-N 3.15Å; L319-D323 HydrophobicContact CD2-CB 4.47Å
320G36.2Very low42Very low33 Ų33111 Ų11134%0.3458%0.582SS.*PPolyproline II helixtrans-63.2152.917800000109.8P318 D322 D323P318-G320 PolarHBondContact O-N 3.48Å; P318-G320 VanDerWaalsContact O-N 3.09Å; G320-D322 PolarHBondContact O-N 3Å; G320-D323 PolarHBondContact O-N 2.93Å
321P42.2Very low40.5Very low99 Ų99117.3 Ų117.364%0.64360%0.601SS**THydrogen-bonded Turntrans-631.8178.726.4-34.7000114.7
322D35.2Very low39.3Very low108 Ų108119.9 Ų119.958%0.57862%0.616SS**THydrogen-bonded Turntrans-100.1-3.6-179.2-61.9-25.7000112.7G320 K511G320-D322 PolarHBondContact O-N 3Å; D322-K511 IonicContact OD1-NZ 2.73Å; D322-K511 PolarHBondContact OD1-NZ 3.43Å
323D39.5Very low38Very low101 Ų101124.8 Ų124.854%0.5464%0.637SS.*  trans-96.37.6178.7-78.8-29.2000114.4L319 G320 H325L319-D323 HydrophobicContact CD2-CB 4.47Å; G320-D323 PolarHBondContact O-N 2.93Å; D323-H325 PolarHBondContact O-N 3.47Å; D323-H325 VanDerWaalsContact O-N 3.15Å
324K32.8Very low36.5Very low177 Ų177131.4 Ų131.477%0.7767%0.665SS**THydrogen-bonded Turntrans-78.712.7-177.5-69.6-163.6173.6-159.50115.5
325H28.8Very low35Very low174 Ų174131.6 Ų131.681%0.80668%0.677SS**THydrogen-bonded Turntrans-117.818.2-175.8-78.2-59.9000114.9D323D323-H325 PolarHBondContact O-N 3.47Å; D323-H325 VanDerWaalsContact O-N 3.15Å
326I30.7Very low33.6Very low155 Ų155133.7 Ų133.780%0.79568%0.681SS**SBendtrans-104.891.5160.6-55.1176.9000105.3
327E29.2Very low32.1Very low173 Ų173136.3 Ų136.381%0.80871%0.705SS**  trans-62.8142.3178.6-75.4-176.8164.100111E329E327-E329 PolarHBondContact O-N 3.49Å; E327-E329 VanDerWaalsContact O-N 3.15Å
328T32.7Very low31Very low145 Ų145142.9 Ų142.989%0.8974%0.741SS**  trans-76.184.1-176.8-31.40000109.9
329E29.6Very low30.1Very low181 Ų181141 Ų14185%0.84674%0.74SS**  trans-137.392.4160-76.3-162171.500108.7E327E327-E329 PolarHBondContact O-N 3.49Å; E327-E329 VanDerWaalsContact O-N 3.15Å
330E26.1Very low29.5Very low195 Ų195144.7 Ų144.791%0.91175%0.754SS**  trans-167.394.1140.9-105.4173-147.900107.9S332E330-S332 PolarHBondContact O-N 3.34Å
331R26.9Very low28.9Very low229 Ų229150.3 Ų150.386%0.86478%0.782SS**  trans-67.4102.1164.5177.8179.8179.5177.8-2.5106.4E333R331-E333 PolarHBondContact O-N 3.1Å
332S30.3Very low28.1Very low108 Ų108150 Ų15076%0.75579%0.788SS**  trans-70.891.2178.764.20000110.9E330E330-S332 PolarHBondContact O-N 3.34Å
333E27.4Very low27.6Very low170 Ų170153.7 Ų153.779%0.79480%0.801SS**  trans-76.6117.1145.5-85.3177.516900106.9R331R331-E333 PolarHBondContact O-N 3.1Å
334F24.3Very low27Very low173 Ų173158.4 Ų158.476%0.75982%0.817SS**  trans-130.196.9173.3-140.9-92.3000108.6F336F334-F336 HydrophobicContact CD1-CD2 4.42Å; F334-F336 HydrophobicContact CD1-CE2 4.45Å
335S23.1Very low26.5Very low111 Ų111154.6 Ų154.678%0.77682%0.818SS**  trans-81.9123.3161.253.60000108.3S337S335-S337 PolarHBondContact O-N 3.49Å
336F24.8Very low26.4Very low179 Ų179153.5 Ų153.579%0.78581%0.813SS**  trans-68.7119.9170.8-96.1-98.6000109.8F334F334-F336 HydrophobicContact CD1-CD2 4.42Å; F334-F336 HydrophobicContact CD1-CE2 4.45Å
337S21.9Very low26Very low117 Ų117152.2 Ų152.282%0.81881%0.813SS**  trans-118.8101.5159.6155.80000105.4S335S335-S337 PolarHBondContact O-N 3.49Å
338D26.7Very low25.7Very low158 Ų158153.3 Ų153.385%0.84581%0.811SS**  trans-95119.4177.8-144.72.5000108.4
339G24Very low25.3Very low59 Ų59156.9 Ų156.961%0.60881%0.808SS**  trans-152.199-176.300000110.2
340E26.5Very low25Very low194 Ų194152.8 Ų152.891%0.90780%0.799SS**  trans69.9119155.4-57.3-173.9172.100119.4
341V24.5Very low24.9Very low151 Ų151152.9 Ų152.992%0.91580%0.8SS**  trans-125.3118.7155.9-175.90000108.2
342A25.3Very low24.8Very low93 Ų93148.9 Ų148.977%0.76980%0.796SS**  trans-143.4129.2156.100000111.5
343E24.5Very low24.6Very low185 Ų185152.4 Ų152.486%0.86480%0.8SS**  trans56.2120.7151.9-64.5-171.6152.200121.6
344K26.3Very low24.4Very low199 Ų199150.1 Ų150.187%0.86580%0.798SS**  trans-154.5104.1130.1-110.5170.6-173-178.50111.3
345A23.2Very low24.4Very low97 Ų97150 Ų15080%0.80280%0.8SS**  trans-84.8133.4150.100000107.6
346E25.9Very low24.4Very low151 Ų151153.1 Ų153.171%0.70680%0.802SS**  trans-134.9125.8168.2-97.7-88.3159.900108.2
347V23.5Very low24.5Very low129 Ų129152.6 Ų152.678%0.78281%0.807SS**  trans-104.6131.3-177.7165.50000107.4
348Y22.3Very low24.6Very low196 Ų196152.1 Ų152.177%0.76980%0.804SS**  trans-154.1148.4160.6-99.2-90.4000108
349R23.5Very low24.5Very low219 Ų219152.4 Ų152.483%0.82681%0.805SS**  cis-162.8140.6-36.7-176.7179.8-145.9-177.77.9102.5
350S24Very low24.5Very low95 Ų95158.2 Ų158.266%0.66482%0.816SS**  trans-65.9140.9180-1710000112.6
351E25Very low24.4Very low197 Ų197158 Ų15892%0.92182%0.815SS**  trans-132.4133.2152-72.3-171.1166.300108.9
352N23.8Very low24.5Very low146 Ų146155.9 Ų155.978%0.78181%0.807SS**  trans-93.4146.6179.8-71.2-32.1000109.8
353E26Very low24.4Very low181 Ų181160.6 Ų160.685%0.84681%0.813SS**  trans-173.7102.9149.2-102.9171.7-157.200106.8
354T23.4Very low24.4Very low122 Ų122155.4 Ų155.475%0.74881%0.81SS**  85.4141.79544.90000116.7
355E24.8Very low24.2Very low172 Ų172151.7 Ų151.780%0.80481%0.807SS**  trans87.598.9165.1-60.4-176.6179.600117.4
356Q23.4Very low24.2Very low175 Ų175157.9 Ų157.982%0.81881%0.812SS**  64.5111.190.9-79.7-173.6-7.900113.7
357N25.3Very low24Very low168 Ų168156.3 Ų156.390%0.89882%0.816SS**  -163.4150.7130-100.6-25.1000113.4
358S25Very low24Very low108 Ų108161.9 Ų161.976%0.75582%0.823SS**  trans-88.3166.7-156.143.50000116
359L23.4Very low24.3Very low163 Ų163157.4 Ų157.485%0.85382%0.82SS**  trans-52.1148.9163.2-71.3145.7000114.6
360E24.6Very low24.4Very low182 Ų182152.6 Ų152.685%0.8582%0.82SS**  trans176113.7134-95174.4-165.400106.9
361E24.5Very low24.4Very low188 Ų188151.9 Ų151.988%0.87983%0.828SS**  53136.487.1-77.9-167.4-175.300113.6
362S26Very low24.3Very low108 Ų108150.2 Ų150.276%0.75583%0.825SS**  cis-171-177.917.9-177.60000109.9
363E24Very low25.4Very low191 Ų191148.3 Ų148.389%0.89382%0.821SS**  trans88.7117.9169-55.8-165.4166.100116.9
364G24.7Very low25.3Very low77 Ų77148.9 Ų148.979%0.79482%0.824SS**  cis135.1119.27.900000109.5
365C22.5Very low25.4Very low120 Ų120151.5 Ų151.581%0.81183%0.827SS**  trans-172.3101.4152.2-140.30000114.8
366Y22.9Very low25.5Very low228 Ų228151.7 Ų151.789%0.89483%0.832SS**  trans59.7127.6143.9-71.4-88.3000125.6
367C21.9Very low25.6Very low117 Ų117151.8 Ų151.879%0.79183%0.83SS**  trans-89.4166.1179.4-45.10000115
368R24.2Very low25.5Very low247 Ų247152.6 Ų152.693%0.93283%0.828SS**  trans161.7139.5130.8-89.1171.6-175.1-165.22.5108.8
369S27.2Very low25.5Very low101 Ų101154.5 Ų154.571%0.70683%0.83SS**  cis-166.4151.6-460.60000110.3
370S26.3Very low25.6Very low118 Ų118151.6 Ų151.683%0.82582%0.823SS**  trans77.3120.9131.466.50000123.7
371G24.5Very low25.6Very low81 Ų81150.4 Ų150.484%0.83582%0.822SS**  trans133.987.1135.300000117.7
372D22.9Very low25.7Very low162 Ų162149.3 Ų149.387%0.86682%0.821SS**  trans-64.2-173.8161.8-85.4-38.1000113.1
373P44.9Very low25.7Very low105 Ų105152.6 Ų152.668%0.68282%0.824SS**  -135.6-177.8-53.139.1-22.3000110.9
374E25.3Very low25.8Very low194 Ų194152.4 Ų152.491%0.90782%0.823SS**  trans-176.3136.4133.3-104.2171.6-170.400113.7
375Q26.1Very low25.9Very low176 Ų176153.7 Ų153.782%0.82282%0.821SS**  trans-91.6145.7176.5-65.9170.7-18.100110.2
376I25.7Very low26Very low176 Ų176152.8 Ų152.890%0.90382%0.822SS**  trans-140.3127.4142.9-61.7-174.7000109.2
377K24.9Very low26.1Very low177 Ų177149 Ų14977%0.7782%0.817SS**  trans-95.2155.8170.1-75176.8170.3-179.10110.3
378E24.3Very low26.3Very low185 Ų185148.2 Ų148.286%0.86482%0.819SS**  trans153.7104.1135-87.9178.7174.300108.1
379D24.6Very low26.4Very low148 Ų148143.9 Ų143.979%0.79181%0.809SS**  60.8106.879.5-81.1-11.6000115.1
380S25.6Very low26.4Very low102 Ų102145.2 Ų145.271%0.71382%0.817SS**  156.3118.1110.6-71.20000115.2
381L24.8Very low26.4Very low157 Ų157147.3 Ų147.382%0.82281%0.811SS**  trans65.9117.9133.4-52.6173.3000121.2
382L26.2Very low26.6Very low165 Ų165150.8 Ų150.886%0.86481%0.806SS**  -175.8153.991.6-89.5171.8000112.3
383E26Very low27.3Very low177 Ų177149.7 Ų149.783%0.82780%0.797SS**  trans-77.1163.3-167.6-61.5173137.100115.9
384E25.7Very low27.1Very low187 Ų187149.7 Ų149.787%0.87480%0.795SS**  trans149.6137.4134.3-84.7179.5-177.800109.1
385S26.5Very low27.7Very low105 Ų105148.8 Ų148.873%0.73479%0.791SS**  cis-170.3139.9-20.645.40000104
386A26.3Very low28.1Very low101 Ų101147 Ų14784%0.83578%0.781SS**  trans-104.1121.717700000108.2
387D23.4Very low28.9Very low149 Ų149143.5 Ų143.580%0.79776%0.764SS**  trans-120.499.9170.8-92.8-26.2000109.9
388A27Very low29.7Very low100 Ų100142.2 Ų142.283%0.82676%0.761SS**  trans-104.8102156.700000106.7C390A388-C390 PolarHBondContact O-N 2.83Å
389Q26.9Very low30.5Very low156 Ų156136 Ų13673%0.72974%0.742SS**  trans-75.2113.8173.6-80.7179.8-7.400110.2
390C26.6Very low31.3Very low128 Ų128133 Ų13387%0.86573%0.725SS**  trans-80.8118161.9-175.80000107.7A388A388-C390 PolarHBondContact O-N 2.83Å
391F25.6Very low31.9Very low163 Ų163135.1 Ų135.172%0.71572%0.724SS**  trans-107.5123.6171.4-109.2-84.2000110.5
392E30.4Very low32.7Very low153 Ų153135.3 Ų135.372%0.71572%0.72SS**  trans5.2122.4164.7-71.8170135.800120.8
393M36.9Very low33.5Very low139 Ų139134 Ų13469%0.68571%0.712SS**  trans-128.941.7166.6-161.685.872.400110.9N397M393-N397 PolarHBondContact O-ND2 3.18Å
394T40.7Very low34Very low105 Ų105133.1 Ų133.164%0.64471%0.706SS**SBendtrans-103.4-17.8-178.841.70000114
395E38.1Very low34.6Very low175 Ų175127.4 Ų127.482%0.81870%0.697SS**SBendtrans-84.2-21.8175.1-92.9-176.7154.200114
396F34.4Very low35.1Very low138 Ų138130.9 Ų130.961%0.60570%0.702SS**Hα-helixtrans-77-30.8-177.5-168.1-101.8000113.3Q398 L400F396-Q398 VanDerWaalsContact C-N 3.29Å; F396-Q398 PolarHBondContact O-N 3.12Å; F396-L400 HydrophobicContact CD1-CD1 4.21Å; F396-L400 HydrophobicContact CE1-CD1 3.64Å; F396-L400 HydrophobicContact CZ-CD1 4.22Å
397N41.8Very low35.4Very low103 Ų103132.3 Ų132.355%0.55170%0.7SS**Hα-helixtrans-76.1-17.2-178.3-72.2-57.1000113.2M393M393-N397 PolarHBondContact O-ND2 3.18Å
398Q42.9Very low35.9Very low150 Ų150131.8 Ų131.870%0.70170%0.702SS**Hα-helixtrans-83.5-28-179.3-140.5163.815.700112.3F396F396-Q398 VanDerWaalsContact C-N 3.29Å; F396-Q398 PolarHBondContact O-N 3.12Å
399A39.9Very low36.2Very low56 Ų56135.3 Ų135.346%0.46370%0.701SS.*Hα-helixtrans-78.6-20.4177.400000114
400L40.7Very low36.2Very low85 Ų85134.9 Ų134.945%0.44570%0.704SS.*Hα-helixtrans-84.8-22.7-176.7-118.1147.7000113.4F396F396-L400 HydrophobicContact CD1-CD1 4.21Å; F396-L400 HydrophobicContact CE1-CD1 3.64Å; F396-L400 HydrophobicContact CZ-CD1 4.22Å
401E38.9Very low36.2Very low146 Ų146136.5 Ų136.568%0.68270%0.704SS**Hα-helixtrans-80.3-24.7175.6-79.1-71138.700112.7
402E41.1Very low36.3Very low161 Ų161134.2 Ų134.275%0.75271%0.708SS**Hα-helixtrans-75.4-25.3177.2-77.5-174.115700113.5
403I43.5Very low35.9Very low136 Ų136132.9 Ų132.970%0.69771%0.711SS**Hα-helixtrans-88.9-20.9-175.4-62.4176.3000112.6G405I403-G405 VanDerWaalsContact C-N 3.3Å; I403-G405 PolarHBondContact O-N 2.98Å
404K36.3Very low35.2Very low160 Ų160133.1 Ų133.170%0.69672%0.72SS**THydrogen-bonded Turntrans-78-10.7176.1-84.4-179177.8173.50114.2Q406K404-Q406 PolarHBondContact O-N 2.84Å
405G38.6Very low34.4Very low67 Ų67135.6 Ų135.669%0.69172%0.724SS**THydrogen-bonded Turntrans-81.4-2.9-178.500000116.4I403I403-G405 VanDerWaalsContact C-N 3.3Å; I403-G405 PolarHBondContact O-N 2.98Å
406Q37.7Very low33.6Very low178 Ų178136 Ų13683%0.83272%0.723SS**SBendtrans-124.110.5-165.4-99.2-176.2-1.100118K404K404-Q406 PolarHBondContact O-N 2.84Å
407V32.7Very low33.1Very low130 Ų130134.3 Ų134.379%0.78873%0.729SS**SBendtrans-117.95.3180-168.40000113.7E409V407-E409 PolarHBondContact O-N 2.95Å
408V33.9Very low32.3Very low139 Ų139138.6 Ų138.684%0.84275%0.746SS**  trans-97.768.9169-171.60000109.3
409E32.7Very low31.4Very low174 Ų174140.8 Ų140.881%0.81376%0.756SS**  trans-163.5128.1157.6-111.7169.5-156.500108.8V407V407-E409 PolarHBondContact O-N 2.95Å
410N27Very low30.8Very low146 Ų146147.3 Ų147.378%0.78177%0.774SS**  trans105.286.6177-51.7-31.8000116
411N25.8Very low29.9Very low162 Ų162150.2 Ų150.287%0.86679%0.79SS**  -175.4134.793.9-92.4-21000112.5
412S27.7Very low29.1Very low116 Ų116153.9 Ų153.981%0.81180%0.797SS**  trans-80.1150.9-170.549.20000114.8
413V22.8Very low28.3Very low125 Ų125151.3 Ų151.376%0.75879%0.793SS**  trans-55.2144.1168.2174.90000114.1
414T22.6Very low27.4Very low143 Ų143152.2 Ų152.288%0.87779%0.794SS**  trans-148130.7138.934.40000111.7
415E22.9Very low26.8Very low158 Ų158149.6 Ų149.674%0.73879%0.788SS**  trans-65.9157177.8-65.6166.712900113.7
416F20.9Very low26.1Very low182 Ų182155.5 Ų155.580%0.79879%0.79SS**  173.1131.1109.3-108.6-92.8000114.1
417S24Very low25.5Very low103 Ų103154.5 Ų154.572%0.7279%0.791SS**  trans49.4126.8143.358.40000123.5
418E26.7Very low25.2Very low194 Ų194151.3 Ų151.391%0.90778%0.784SS**  trans-61.1136.7160.3-64.4177.9139.500113.1
419E22.8Very low24.9Very low196 Ų196154.1 Ų154.192%0.91679%0.788SS**  trans-146.7137.2156.5-120.4-179.7-173.100112.2
420K26.9Very low24.6Very low192 Ų192154 Ų15484%0.83579%0.793SS**  trans-75.1147.5174.8-77.6171.6171.9168.40111.6
421N22.6Very low24.6Very low146 Ų146150.5 Ų150.578%0.78179%0.791SS**  trans171.7128.5131.2-86.3-35.9000109.7
422R22.2Very low24.8Very low224 Ų224151 Ų15185%0.84579%0.788SS**  50.5129.299.6-87.1-176.1174.8-178.1-1.2112.7
423T23.8Very low24.7Very low106 Ų106155.5 Ų155.565%0.6579%0.787SS**  cis-174.6163.835.4-20.10000109.8
424E24.5Very low24.9Very low156 Ų156155.4 Ų155.473%0.72979%0.786SS**  trans73.3139.2144.5-79.8167.4-143.500119
425N24.6Very low25.1Very low105 Ų105157 Ų15756%0.56178%0.784SS**  cis-176.5158.942.5-124.6-19.7000114.7
426Y23.2Very low25.2Very low191 Ų191153.4 Ų153.475%0.74979%0.789SS**  trans59134.6156.4-66.9-69.3000120.7
427N26.1Very low25.4Very low157 Ų157148 Ų14884%0.8479%0.785SS**  -168.6163.953.1-120.7-16000114.6
428G26.3Very low25.4Very low62 Ų62150.1 Ų150.164%0.63979%0.793SS**  trans-70.6152.4-171.400000118.2
429Q26.5Very low25.8Very low199 Ų199146.3 Ų146.393%0.9379%0.785SS**  71117.5104.9-74.8-170.24.400115.9
430D27.2Very low26Very low172 Ų172142 Ų14292%0.9278%0.783SS**  -148.3137.6126.3-128.6-15.7000112.9
431G27.4Very low25.9Very low71 Ų71136.3 Ų136.373%0.73278%0.779SS**  trans-95.9166.3-17400000113.4
432Q29.1Very low26.1Very low174 Ų174134.8 Ų134.881%0.81378%0.778SS**  trans-113168.3-160.4-160.6-179.831.100112
433R25.8Very low26.4Very low210 Ų210131.9 Ų131.979%0.79277%0.774SS**  trans100.9147.7155.3-54.5-178.9171.6-164-3.6115.7
434V27.2Very low26.6Very low122 Ų122133 Ų13374%0.73977%0.772SS**  cis-156.1148.442.61720000113.8
435Q26.4Very low27.1Very low178 Ų178135 Ų13583%0.83277%0.774SS**  trans-10.1157.5154.9-58.9165.7-12.600125.1
436G24.7Very low27.6Very low81 Ų81138.7 Ų138.784%0.83579%0.788SS**  139.6125.9125.500000113.5
437G24.4Very low28.3Very low69 Ų69137.8 Ų137.871%0.71180%0.796SS**  cis159.5150.21.500000108.7
438V24.3Very low29Very low147 Ų147138 Ų13889%0.89179%0.792SS**  trans-167.5166.4150-125.40000109.8
439P35.4Very low29.7Very low114 Ų114140.2 Ų140.274%0.7480%0.797SS**  -124.6174.8-119.136.7-14.7000115.8
440A27.1Very low30.8Very low106 Ų106136 Ų13688%0.87679%0.786SS**  trans64121.6146.900000121.6
441G25.7Very low31.9Very low72 Ų72135.4 Ų135.474%0.74278%0.778SS**  trans15096.5146.100000116.9
442C25.3Very low32.9Very low114 Ų114138.6 Ų138.677%0.7778%0.778SS**  trans54.6111.1147.4-62.50000120.5
443E28.9Very low33.9Very low163 Ų163135.5 Ų135.576%0.76277%0.765SS**  86.1122.8105.2-79.3-178.4-156.500111.3
444E28.9Very low35.3Very low130 Ų130128.5 Ų128.561%0.60775%0.753SS**  cis-178.3154.947.2-122.5174.3168.100110.6
445Y33.8Very low36.3Very low197 Ų197128.2 Ų128.277%0.77375%0.746SS**  trans59.3106.3161.1-51.7-65.1000121.8
446E36.7Very low37.6Very low183 Ų183123.4 Ų123.486%0.85573%0.732SS**  trans-104.2131.5159.6-71.2-166.8165.100110.7
447D37.5Very low39Very low172 Ų172122.6 Ų122.692%0.9271%0.714SS**  trans-98.7105.4174.3-155.18.4000107.3
448E41Very low40.3Very low162 Ų162125.4 Ų125.476%0.75771%0.712SS**  trans-84.9130.6-173.7-77-175.8159.500112.3
449C39.9Very low41.7Very low109 Ų109124.2 Ų124.274%0.73670%0.7SS**  trans-97.6119.5176.2-145.90000110.4H451C449-H451 VanDerWaalsContact C-N 3.29Å; C449-H451 PolarHBondContact O-N 3.46Å
450P50.9Low42.8Very low109 Ų109129.4 Ų129.471%0.70871%0.705SS**G310 helixtrans-69.2-6.1-163.5-21.632.1000117.9L452P450-L452 PolarHBondContact O-N 3.38Å
451H48.5Very low43.9Very low161 Ų161132 Ų13275%0.74570%0.699SS**G310 helixtrans-86.3-7-167-154.5-68.3000114.6C449C449-H451 VanDerWaalsContact C-N 3.29Å; C449-H451 PolarHBondContact O-N 3.46Å
452L49.4Very low45.1Very low138 Ų138137 Ų13772%0.72370%0.701SS**G310 helixtrans-92.2-15.7179.9-83161000114.2P450P450-L452 PolarHBondContact O-N 3.38Å
453I50.9Low46.4Very low109 Ų109141.3 Ų141.356%0.55970%0.701SS**Hα-helixtrans-69.4-38.2-177.7-63.5172.4000110.5L455 S456 S457I453-L455 VanDerWaalsContact C-N 3.32Å; I453-L455 PolarHBondContact O-N 3.21Å; I453-S456 PolarHBondContact O-N 3.1Å; I453-S456 PolarHBondContact O-OG 2.92Å; I453-S457 PolarHBondContact O-N 3.13Å; I453-S457 PolarHBondContact O-OG 3.06Å
454A54.3Low47.3Very low63 Ų63138.8 Ų138.852%0.52170%0.699SS.*Hα-helixtrans-64.2-29.7-17600000114.5
455L47.8Very low48Very low115 Ų115141.6 Ų141.660%0.60271%0.709SS**Hα-helixtrans-82.7-22.2179.7-72.7168.6000113.3I453 N459I453-L455 VanDerWaalsContact C-N 3.32Å; I453-L455 PolarHBondContact O-N 3.21Å; L455-N459 PolarHBondContact O-ND2 3.45Å; L455-N459 VanDerWaalsContact O-ND2 3.15Å
456S53.3Low48.4Very low78 Ų78143.2 Ų143.255%0.54571%0.714SS.*Hα-helixtrans-78.9-34.3176.292.10000111.8I453 N459 R460I453-S456 PolarHBondContact O-N 3.1Å; I453-S456 PolarHBondContact O-OG 2.92Å; S456-N459 PolarHBondContact O-N 3.24Å; S456-R460 PolarHBondContact O-N 3.41Å
457S54.6Low48.8Very low63 Ų63140.9 Ų140.944%0.44171%0.707SS.*Hα-helixtrans-64.5-43.5178.2-420000111.6I453 N459 R460I453-S457 PolarHBondContact O-N 3.13Å; I453-S457 PolarHBondContact O-OG 3.06Å; S457-N459 VanDerWaalsContact C-N 3.33Å; S457-N459 PolarHBondContact O-N 3.36Å; S457-R460 WeakPolarHBondContact O-CB 3.07Å; S457-R460 PolarHBondContact O-N 3.07Å
458L52.3Low49.5Very low128 Ų128141.6 Ų141.667%0.6771%0.705SS**Hα-helixtrans-68.2-30.6-178.9-127.1107.7000113R460L458-R460 VanDerWaalsContact C-N 3.26Å; L458-R460 PolarHBondContact O-N 2.95Å
459N54.4Low50.1Low123 Ų123142.8 Ų142.866%0.65871%0.711SS**THydrogen-bonded Turntrans-76.2-13177.2-89.8-53.7000113.6L455 S456 S457L455-N459 PolarHBondContact O-ND2 3.45Å; L455-N459 VanDerWaalsContact O-ND2 3.15Å; S456-N459 PolarHBondContact O-N 3.24Å; S457-N459 VanDerWaalsContact C-N 3.33Å; S457-N459 PolarHBondContact O-N 3.36Å
460R57.2Low50.5Low222 Ų222144.5 Ų144.584%0.83871%0.712SS**THydrogen-bonded Turntrans-85.5-22.3-178.4-159.4175.1173.3-176.3-3.4112.7S456 S457 L458S456-R460 PolarHBondContact O-N 3.41Å; S457-R460 WeakPolarHBondContact O-CB 3.07Å; S457-R460 PolarHBondContact O-N 3.07Å; L458-R460 VanDerWaalsContact C-N 3.26Å; L458-R460 PolarHBondContact O-N 2.95Å
461E50.6Low50.3Low162 Ų162147.2 Ų147.276%0.75772%0.718SS**SBendtrans-83.5-15.6-179-76.3-179.4159.600114.3
462F50.3Low50.1Low175 Ų175142.5 Ų142.577%0.76871%0.713SS**  trans-113.869-179.8-81.9-86000113
463R53.3Low50Low205 Ų205140 Ų14077%0.77471%0.712SS**  trans-145.291.5161.7-71.2-162.6-176.8-139.10.6112.1F465R463-F465 PolarHBondContact O-N 2.9Å
464P48.2Very low49.4Very low110 Ų110143.4 Ų143.471%0.71473%0.728SS**  trans-86.817.4-172.432-32.1000116.3
465F42.2Very low48.9Very low189 Ų189147.5 Ų147.583%0.82974%0.741SS**  trans-147.964.4-178.5-81.2-77.8000114.4R463R463-F465 PolarHBondContact O-N 2.9Å
466R43.6Very low48.7Very low231 Ų231150.1 Ų150.187%0.87275%0.75SS**  trans-148.677.9158.9-77.9-162176-179.8-3110.3
467D44.8Very low48.1Very low134 Ų134157 Ų15772%0.71777%0.765SS**  trans-86143.8167.9-61.3-37.2000110.4E469D467-E469 PolarHBondContact O-N 2.91Å; D467-E469 VanDerWaalsContact O-N 3.13Å
468E52.6Low47.5Very low188 Ų188165.6 Ų165.688%0.87979%0.789SS**G310 helixtrans-65.2-11-174.9-71.4-165.8148.700114.4N470E468-N470 VanDerWaalsContact C-N 3.32Å; E468-N470 PolarHBondContact O-N 2.81Å
469E52.2Low46.9Very low187 Ų187165.6 Ų165.687%0.87479%0.794SS**G310 helixtrans-75.8-13.8-178.8-71.7-170.4154.300114.3D467D467-E469 PolarHBondContact O-N 2.91Å; D467-E469 VanDerWaalsContact O-N 3.13Å
470N48.3Very low46.2Very low144 Ų144170.6 Ų170.677%0.7780%0.803SS**G310 helixtrans-95.47.5-177.2-138.810.6000114.9E468E468-N470 VanDerWaalsContact C-N 3.32Å; E468-N470 PolarHBondContact O-N 2.81Å
471M47.7Very low45.2Very low167 Ų167166 Ų16682%0.82380%0.801SS**G310 helixtrans-94.30.1174.4-76.3-76.6-78.300113.5
472G44.5Very low44.7Very low62 Ų62165.9 Ų165.964%0.63980%0.804SS**SBendtrans-88.6-17.1-178.700000115.8
473A47.4Very low43.9Very low86 Ų86162.9 Ų162.971%0.71181%0.805SS**SBendtrans-98.914.2-165.300000116.2
474M38.3Very low43.5Very low179 Ų179160.6 Ų160.688%0.88281%0.806SS**SBendtrans-130.428.2-176.8-144160.5176.400114.5
475N43.3Very low43.1Very low150 Ų150161.6 Ų161.680%0.80281%0.81SS**  trans-119.414.6176.4-88.7-25000114.7
476Q43.3Very low42.8Very low169 Ų169158.4 Ų158.479%0.7981%0.811SS**SBendtrans-976.4-177.5-72.7-175.2-1.300116.3
477Y41.1Very low43.1Very low222 Ų222153.5 Ų153.587%0.87181%0.813SS**SBendtrans-118.924.5178.3-61.9-71.8000115.6
478R42.3Very low42.8Very low245 Ų245150.4 Ų150.493%0.92581%0.812SS**  trans-115.167.9167.3-89.2-175.8172.5167.8-0.9111.1
479T39.2Very low42.1Very low127 Ų127147.2 Ų147.278%0.77981%0.811SS**  trans-77.5119.6162.635.80000109.7T481T479-T481 PolarHBondContact O-N 2.97Å
480R39.7Very low42.1Very low228 Ų228144.6 Ų144.686%0.8681%0.807SS**  trans-73.8107.7174.5-168.9-177.4-169.9-1703.3108.4L482R480-L482 PolarHBondContact O-N 3.41Å
481T35.4Very low42Very low127 Ų127143 Ų14378%0.77980%0.803SS**  trans-85.3109.4171.343.50000110T479T479-T481 PolarHBondContact O-N 2.97Å
482L41.9Very low42.1Very low159 Ų159141.2 Ų141.283%0.83281%0.806SS**  trans-78.3116.7159.9-72.2166.2000107.5R480R480-L482 PolarHBondContact O-N 3.41Å
483S33.4Very low42.6Very low111 Ų111143.1 Ų143.178%0.77681%0.809SS**  trans-143.3129.4159.352.80000110.8
484I44.3Very low43.2Very low157 Ų157143.3 Ų143.381%0.80581%0.805SS**  trans-83.8148175-77.7166.3000107.9
485T39.6Very low45Very low131 Ų131141.6 Ų141.680%0.80481%0.805SS**  trans69.4103.9170.850.30000118.9
486S35.7Very low46.7Very low122 Ų122137.8 Ų137.885%0.85378%0.784SS**  -150.2120119.977.80000109.9
487S49.4Very low48.9Very low128 Ų128132.7 Ų132.790%0.89577%0.765SS**  trans-77118.4168.41.60000107.6
488G40Very low51.1Low69 Ų69125.5 Ų125.571%0.71175%0.746SS**  trans170.2109.3172.300000115.7
489S37.7Very low53.3Low121 Ų121119.2 Ų119.285%0.84673%0.727SS**  trans73.191.8156.4-157.70000119.2
490V52.4Low55.6Low132 Ų132117 Ų11780%0.871%0.71SS**  trans-32.6129.9141.3-173.50000110.9
491V46.2Very low57.9Low112 Ų112109.4 Ų109.468%0.67969%0.689SS**  169.677.8128.9-175.10000107.5C493V491-C493 VanDerWaalsContact C-N 3.29Å; V491-C493 HydrophobicContact CG1-CB 3.86Å; V491-C493 WeakPolarHBondContact CG1-SG 3.41Å; V491-C493 PolarHBondContact O-N 3.36Å
492S49.9Very low60.5Low128 Ų128110.3 Ų110.390%0.89568%0.682SS**  trans-92.475.4150.3240000106.7S494S492-S494 PolarHBondContact O-N 2.99Å
493C53.9Low62.8Low102 Ų102107.5 Ų107.569%0.68967%0.665SS**  trans-60.7105.6170.3-87.80000107.8V491 T495V491-C493 VanDerWaalsContact C-N 3.29Å; V491-C493 HydrophobicContact CG1-CB 3.86Å; V491-C493 WeakPolarHBondContact CG1-SG 3.41Å; V491-C493 PolarHBondContact O-N 3.36Å; C493-T495 PolarHBondContact O-N 2.79Å; C493-T495 VanDerWaalsContact O-N 3.14Å
494S60Low65.4Low90 Ų90108.4 Ų108.463%0.62966%0.655SS**  trans-54.9120166.2580000108.2S492 I496S492-S494 PolarHBondContact O-N 2.99Å; S494-I496 PolarHBondContact O-N 3.4Å
495T76.1Confident67.7Low144 Ų144104.3 Ų104.388%0.88364%0.636SS**SBendtrans-61.9-13.1-176.931.90000114.1C493C493-T495 PolarHBondContact O-N 2.79Å; C493-T495 VanDerWaalsContact O-N 3.14Å
496I80.3Confident70.2Confident69 Ų69105.3 Ų105.335%0.35463%0.63SS.*SBendtrans-116.8122.6177.9-54.2175.6000108.9S494 L500 V501S494-I496 PolarHBondContact O-N 3.4Å; I496-L500 HydrophobicContact CG2-CB 3.76Å; I496-L500 HydrophobicContact CG2-CD1 4.46Å; I496-V501 HydrophobicContact CB-CG2 4.28Å; I496-V501 HydrophobicContact CG2-CG2 3.82Å
497P88.4Confident72.6Confident62 Ų62107.9 Ų107.940%0.40362%0.621SS.*  trans-59.7142.4175.523.6-33.5000111.2E499 L500 V501P497-E499 PolarHBondContact O-N 2.78Å; P497-E499 VanDerWaalsContact O-N 3.11Å; P497-L500 HydrophobicContact CG-CB 4.14Å; P497-L500 HydrophobicContact CG-CD1 3.61Å; P497-L500 HydrophobicContact CG-CG 3.78Å; P497-L500 PolarHBondContact O-N 3.08Å; P497-V501 PolarHBondContact O-N 2.68Å
498P86.5Confident74.6Confident72 Ų72107.6 Ų107.647%0.46861%0.605SS.*Hα-helixtrans-61.3-24.7-174.322.6-30.6000113.1V501 K502P498-V501 PolarHBondContact O-N 3.03Å; P498-K502 WeakPolarHBondContact O-CG 3.46Å; P498-K502 PolarHBondContact O-N 3.38Å
499E88.8Confident77Confident113 Ų113108.7 Ų108.753%0.52859%0.594SS.*Hα-helixtrans-62.4-43.1172.9-71.660.5-132.700111.4P497 K502 Q503P497-E499 PolarHBondContact O-N 2.78Å; P497-E499 VanDerWaalsContact O-N 3.11Å; E499-K502 PolarHBondContact O-N 3.31Å; E499-Q503 WeakPolarHBondContact O-CG 3.49Å; E499-Q503 PolarHBondContact O-N 3.07Å
500L87.7Confident79.3Confident80 Ų80105.7 Ų105.742%0.41957%0.571SS.*Hα-helixtrans-70.1-34.8176.3-72.4-178.1000111.6I496 P497 Q503 K504I496-L500 HydrophobicContact CG2-CB 3.76Å; I496-L500 HydrophobicContact CG2-CD1 4.46Å; P497-L500 HydrophobicContact CG-CB 4.14Å; P497-L500 HydrophobicContact CG-CD1 3.61Å; P497-L500 HydrophobicContact CG-CG 3.78Å; P497-L500 PolarHBondContact O-N 3.08Å; L500-Q503 PolarHBondContact O-N 3.47Å; L500-K504 WeakPolarHBondContact O-CB 3.22Å; L500-K504 WeakPolarHBondContact O-CG 3.29Å; L500-K504 PolarHBondContact O-N 3.24Å
501V88.1Confident80.9Confident68 Ų68104.5 Ų104.541%0.41256%0.555SS.*Hα-helixtrans-63-47.5173.9-179.10000110.3I496 P497 P498 Q503 K504 V505I496-V501 HydrophobicContact CB-CG2 4.28Å; I496-V501 HydrophobicContact CG2-CG2 3.82Å; P497-V501 PolarHBondContact O-N 2.68Å; P498-V501 PolarHBondContact O-N 3.03Å; V501-Q503 VanDerWaalsContact C-N 3.32Å; V501-Q503 PolarHBondContact O-N 3.44Å; V501-K504 PolarHBondContact O-N 3.43Å; V501-V505 HydrophobicContact CG1-CG2 4.3Å; V501-V505 WeakPolarHBondContact O-CG2 3.12Å; V501-V505 PolarHBondContact O-N 3.27Å
502K90.4Very high82.7Confident147 Ų147104.6 Ų104.664%0.63955%0.548SS*.Hα-helixtrans-58-43.1175.4-75.3174.8-178.5171.10111.9P498 E499 K506P498-K502 WeakPolarHBondContact O-CG 3.46Å; P498-K502 PolarHBondContact O-N 3.38Å; E499-K502 PolarHBondContact O-N 3.31Å; K502-K506 VanDerWaalsContact O-CB 3.25Å; K502-K506 WeakPolarHBondContact O-CB 3.2Å; K502-K506 PolarHBondContact O-N 3.21Å
503Q89.3Confident84.3Confident100 Ų100104.8 Ų104.847%0.46754%0.535SS..Hα-helixtrans-63.7-44.3176.3-73.7-174.76.100112.3E499 L500 V501 K506 R507E499-Q503 WeakPolarHBondContact O-CG 3.49Å; E499-Q503 PolarHBondContact O-N 3.07Å; L500-Q503 PolarHBondContact O-N 3.47Å; V501-Q503 VanDerWaalsContact C-N 3.32Å; V501-Q503 PolarHBondContact O-N 3.44Å; Q503-K506 PolarHBondContact O-N 2.71Å; Q503-R507 VanDerWaalsContact O-CG 3.31Å; Q503-R507 WeakPolarHBondContact O-CG 3.44Å; Q503-R507 PolarHBondContact O-N 3.41Å
504K89.5Confident85.6Confident130 Ų130104.7 Ų104.757%0.56552%0.523SS*.Hα-helixtrans-62.4-48.2177.8-76.8-176.8176.6-175.50111.8L500 V501 K506 R507 Q508L500-K504 WeakPolarHBondContact O-CB 3.22Å; L500-K504 WeakPolarHBondContact O-CG 3.29Å; L500-K504 PolarHBondContact O-N 3.24Å; V501-K504 PolarHBondContact O-N 3.43Å; K504-K506 VanDerWaalsContact C-N 3.35Å; K504-K506 PolarHBondContact O-N 3.39Å; K504-R507 PolarHBondContact O-N 2.81Å; K504-Q508 PolarHBondContact O-N 3.41Å
505V92.4Very high86.6Confident70 Ų70103.1 Ų103.142%0.42451%0.512SS..Hα-helixtrans-61-43.8177.71740000110.9V501 R507 Q508 L509V501-V505 HydrophobicContact CG1-CG2 4.3Å; V501-V505 WeakPolarHBondContact O-CG2 3.12Å; V501-V505 PolarHBondContact O-N 3.27Å; V505-R507 PolarHBondContact O-N 2.83Å; V505-Q508 PolarHBondContact O-N 3.27Å; V505-L509 HydrophobicContact CG1-CD1 3.9Å; V505-L509 HydrophobicContact CG1-CG 4.38Å; V505-L509 WeakPolarHBondContact O-CG 3.29Å; V505-L509 PolarHBondContact O-N 2.66Å
506K91.2Very high86.8Confident152 Ų15298.4 Ų98.466%0.66149%0.487SS*.Hα-helixtrans-61.5-41.7176.8-171.8176.8-178.9179.90112.2K502 Q503 K504 T510K502-K506 VanDerWaalsContact O-CB 3.25Å; K502-K506 WeakPolarHBondContact O-CB 3.2Å; K502-K506 PolarHBondContact O-N 3.21Å; Q503-K506 PolarHBondContact O-N 2.71Å; K504-K506 VanDerWaalsContact C-N 3.35Å; K504-K506 PolarHBondContact O-N 3.39Å; K506-T510 WeakPolarHBondContact O-CB 3.45Å; K506-T510 VanDerWaalsContact O-CG2 3.29Å; K506-T510 WeakPolarHBondContact O-CG2 3.46Å; K506-T510 PolarHBondContact O-N 2.93Å; K506-T510 PolarHBondContact O-OG1 3.29Å
507R87.2Confident86.6Confident176 Ų17697.6 Ų97.666%0.66449%0.486SS*.Hα-helixtrans-63.1-41.8175.1-74175.5-176.1-177.92.9111.7Q503 K504 V505 T510 K511Q503-R507 VanDerWaalsContact O-CG 3.31Å; Q503-R507 WeakPolarHBondContact O-CG 3.44Å; Q503-R507 PolarHBondContact O-N 3.41Å; K504-R507 PolarHBondContact O-N 2.81Å; V505-R507 PolarHBondContact O-N 2.83Å; R507-T510 WeakPolarHBondContact CA-OG1 3.31Å; R507-T510 PolarHBondContact O-OG1 3.05Å; R507-K511 WeakPolarHBondContact O-CB 3.4Å; R507-K511 PolarHBondContact O-N 3.02Å
508Q91.7Very high86Confident122 Ų12299.9 Ų99.957%0.5749%0.486SS*.Hα-helixtrans-65.7-48.3178.9-171.6176.77.500112.2K504 V505 T510 K511 Q512K504-Q508 PolarHBondContact O-N 3.41Å; V505-Q508 PolarHBondContact O-N 3.27Å; Q508-T510 VanDerWaalsContact C-N 3.34Å; Q508-T510 PolarHBondContact O-N 3.42Å; Q508-K511 PolarHBondContact O-N 2.99Å; Q508-Q512 PolarHBondContact O-N 3.3Å
509L89.3Confident85.5Confident93 Ų93105.2 Ų105.249%0.48750%0.497SS..Hα-helixtrans-61.1-42.5178-72.1171.4000111.8V505 K511 Q512 Q513V505-L509 HydrophobicContact CG1-CD1 3.9Å; V505-L509 HydrophobicContact CG1-CG 4.38Å; V505-L509 WeakPolarHBondContact O-CG 3.29Å; V505-L509 PolarHBondContact O-N 2.66Å; L509-K511 PolarHBondContact O-N 3.35Å; L509-Q512 PolarHBondContact O-N 3.16Å; L509-Q513 WeakPolarHBondContact O-CG 3.32Å; L509-Q513 PolarHBondContact O-N 3.16Å
510T85.9Confident84.8Confident58 Ų58108.4 Ų108.436%0.35650%0.504SS..Hα-helixtrans-67-3517750.80000112.5K506 R507 Q508 Q513 K514K506-T510 WeakPolarHBondContact O-CB 3.45Å; K506-T510 VanDerWaalsContact O-CG2 3.29Å; K506-T510 WeakPolarHBondContact O-CG2 3.46Å; K506-T510 PolarHBondContact O-N 2.93Å; K506-T510 PolarHBondContact O-OG1 3.29Å; R507-T510 WeakPolarHBondContact CA-OG1 3.31Å; R507-T510 PolarHBondContact O-OG1 3.05Å; Q508-T510 VanDerWaalsContact C-N 3.34Å; Q508-T510 PolarHBondContact O-N 3.42Å; T510-Q513 PolarHBondContact O-N 3.26Å; T510-K514 WeakPolarHBondContact O-CB 3.4Å; T510-K514 VanDerWaalsContact O-CG 3.3Å; T510-K514 WeakPolarHBondContact O-CG 3.45Å; T510-K514 PolarHBondContact O-N 2.9Å
511K85.4Confident84Confident107 Ų107107.5 Ų107.547%0.46550%0.5SS..Hα-helixtrans-62.4-45173.4-167.6173.2-173.81730111.3D322 R507 Q508 L509 K514 S515D322-K511 IonicContact OD1-NZ 2.73Å; D322-K511 PolarHBondContact OD1-NZ 3.43Å; R507-K511 WeakPolarHBondContact O-CB 3.4Å; R507-K511 PolarHBondContact O-N 3.02Å; Q508-K511 PolarHBondContact O-N 2.99Å; L509-K511 PolarHBondContact O-N 3.35Å; K511-K514 PolarHBondContact O-N 3.23Å; K511-S515 PolarHBondContact O-N 3.11Å
512Q85.2Confident83Confident113 Ų113109.7 Ų109.753%0.52851%0.505SS..Hα-helixtrans-64.2-43177-71.3-179.6-10.700112.6Q508 L509 S515 A516Q508-Q512 PolarHBondContact O-N 3.3Å; L509-Q512 PolarHBondContact O-N 3.16Å; Q512-S515 PolarHBondContact O-N 3.07Å; Q512-S515 PolarHBondContact O-OG 3.4Å; Q512-A516 PolarHBondContact O-N 2.94Å
513Q83.6Confident81.8Confident133 Ų133110.8 Ų110.862%0.62151%0.51SS*.Hα-helixtrans-63.4-43.3176.3-73178.4-14.300111.8L509 T510 S515 A516 V517L509-Q513 WeakPolarHBondContact O-CG 3.32Å; L509-Q513 PolarHBondContact O-N 3.16Å; T510-Q513 PolarHBondContact O-N 3.26Å; Q513-S515 PolarHBondContact O-N 3.26Å; Q513-A516 PolarHBondContact O-N 3.45Å; Q513-V517 WeakPolarHBondContact O-CG2 3.38Å; Q513-V517 PolarHBondContact O-N 3.5Å
514K80.6Confident80.4Confident99 Ų99108.3 Ų108.343%0.4351%0.512SS..Hα-helixtrans-63-40.6178.1-77-178.3176.5-170.30112.5T510 K511 V517 R518T510-K514 WeakPolarHBondContact O-CB 3.4Å; T510-K514 VanDerWaalsContact O-CG 3.3Å; T510-K514 WeakPolarHBondContact O-CG 3.45Å; T510-K514 PolarHBondContact O-N 2.9Å; K511-K514 PolarHBondContact O-N 3.23Å; K514-V517 PolarHBondContact O-N 3.42Å; K514-R518 WeakPolarHBondContact O-CG 3.5Å; K514-R518 PolarHBondContact O-N 3.28Å
515S80.6Confident78.8Confident57 Ų57105.8 Ų105.840%0.39950%0.502SS..Hα-helixtrans-66.1-40.6178.868.80000112.1K511 Q512 Q513 R518 R519K511-S515 PolarHBondContact O-N 3.11Å; Q512-S515 PolarHBondContact O-N 3.07Å; Q512-S515 PolarHBondContact O-OG 3.4Å; Q513-S515 PolarHBondContact O-N 3.26Å; S515-R518 PolarHBondContact O-N 3.05Å; S515-R519 PolarHBondContact O-N 3.04Å
516A80.6Confident77.1Confident45 Ų45105 Ų10537%0.37250%0.502SS..Hα-helixtrans-63.1-42174.700000112.3Q512 Q513 R519 R520Q512-A516 PolarHBondContact O-N 2.94Å; Q513-A516 PolarHBondContact O-N 3.45Å; A516-R519 PolarHBondContact O-N 2.92Å; A516-R520 PolarHBondContact O-N 2.89Å
517V77.2Confident75.7Confident53 Ų53102.4 Ų102.432%0.32150%0.496SS..Hα-helixtrans-64.6-41.5177.1171.20000111.7Q513 K514 R519 R520 L521Q513-V517 WeakPolarHBondContact O-CG2 3.38Å; Q513-V517 PolarHBondContact O-N 3.5Å; K514-V517 PolarHBondContact O-N 3.42Å; V517-R519 PolarHBondContact O-N 2.93Å; V517-R520 PolarHBondContact O-N 3.5Å; V517-R520 VanDerWaalsContact O-N 3.15Å; V517-L521 HydrophobicContact CG1-CD1 3.81Å; V517-L521 HydrophobicContact CG1-CG 4.39Å; V517-L521 PolarHBondContact O-N 3.32Å
518R74.2Confident74.5Confident110 Ų11096.2 Ų96.242%0.41548%0.476SS..Hα-helixtrans-56.7-47175.8-78.3179.9177175.31112S40 K514 S515 R520 L521 Q522S40-R518 PolarHBondContact OG-NE 3.35Å; K514-R518 WeakPolarHBondContact O-CG 3.5Å; K514-R518 PolarHBondContact O-N 3.28Å; S515-R518 PolarHBondContact O-N 3.05Å; R518-R520 VanDerWaalsContact C-N 3.28Å; R518-R520 PolarHBondContact O-N 2.98Å; R518-L521 PolarHBondContact O-N 3.5Å; R518-Q522 WeakPolarHBondContact O-CG 3.47Å; R518-Q522 PolarHBondContact O-N 3.43Å
519R76.9Confident73.3Confident184 Ų18497 Ų9769%0.69448%0.478SS*.Hα-helixtrans-60.5-35.8177.3-68.7-179-174.9176.71.2112.8S515 A516 V517S515-R519 PolarHBondContact O-N 3.04Å; A516-R519 PolarHBondContact O-N 2.92Å; V517-R519 PolarHBondContact O-N 2.93Å
520R73.9Confident72.5Confident179 Ų17994.9 Ų94.968%0.67547%0.468SS*.Hα-helixtrans-68.7-41.4176.3-69.5179.8-174.4174.21.5112A516 V517 R518 K523A516-R520 PolarHBondContact O-N 2.89Å; V517-R520 PolarHBondContact O-N 3.5Å; V517-R520 VanDerWaalsContact O-N 3.15Å; R518-R520 VanDerWaalsContact C-N 3.28Å; R518-R520 PolarHBondContact O-N 2.98Å; R520-K523 PolarHBondContact O-N 3.23Å
521L69.9Low72Confident62 Ų6298 Ų9833%0.32548%0.477SS..Hα-helixtrans-71.6-35.4-178-70.7166.7000112.9A39 V517 R518 K523 G524A39-L521 HydrophobicContact CB-CD1 3.85Å; V517-L521 HydrophobicContact CG1-CD1 3.81Å; V517-L521 HydrophobicContact CG1-CG 4.39Å; V517-L521 PolarHBondContact O-N 3.32Å; R518-L521 PolarHBondContact O-N 3.5Å; L521-K523 PolarHBondContact O-N 2.84Å; L521-G524 PolarHBondContact O-N 3.12Å
522Q68.2Low71.7Confident113 Ų11397.8 Ų97.853%0.52848%0.478SS..Hα-helixtrans-58.6-32.7175.2-76.4174.4-3000112.8R518 G524 E525R518-Q522 WeakPolarHBondContact O-CG 3.47Å; R518-Q522 PolarHBondContact O-N 3.43Å; Q522-G524 PolarHBondContact O-N 3.11Å; Q522-E525 WeakPolarHBondContact O-CB 3.5Å; Q522-E525 PolarHBondContact O-N 3.33Å; Q522-E525 VanDerWaalsContact O-N 3.13Å
523K65.2Low71.5Confident170 Ų170100.6 Ų100.674%0.73948%0.483SS*.THydrogen-bonded Turntrans-62.6-23.8175.5-66.2-175177.8-170.70113.2R520 L521 E525R520-K523 PolarHBondContact O-N 3.23Å; L521-K523 PolarHBondContact O-N 2.84Å; K523-E525 VanDerWaalsContact C-N 3.32Å
524G60.1Low71.4Confident49 Ų49100.7 Ų100.751%0.50548%0.478SS..THydrogen-bonded Turntrans-70.8-24.9176.400000113.9L521 Q522 A526 N527L521-G524 PolarHBondContact O-N 3.12Å; Q522-G524 PolarHBondContact O-N 3.11Å; G524-A526 VanDerWaalsContact C-N 3.31Å; G524-A526 PolarHBondContact O-N 3.1Å; G524-N527 WeakPolarHBondContact O-CB 3.48Å; G524-N527 PolarHBondContact O-N 2.88Å
525E55.9Low71.7Confident76 Ų7699.7 Ų99.736%0.35548%0.475SS..THydrogen-bonded Turntrans-71.6-28.1-180-65.8172.7-178.200111.6P34 S36 Q522 K523 N527P34-E525 WeakPolarHBondContact CB-OE1 3.26Å; S36-E525 VanDerWaalsContact CB-OE1 3.31Å; S36-E525 WeakPolarHBondContact CB-OE1 3.46Å; S36-E525 PolarHBondContact OG-OE1 3.06Å; Q522-E525 WeakPolarHBondContact O-CB 3.5Å; Q522-E525 PolarHBondContact O-N 3.33Å; Q522-E525 VanDerWaalsContact O-N 3.13Å; K523-E525 VanDerWaalsContact C-N 3.32Å; E525-N527 PolarHBondContact O-N 2.93Å; E525-N527 VanDerWaalsContact O-N 3.14Å
526A57.1Low72Confident53 Ų53101.1 Ų101.144%0.43848%0.478SS..Hα-helixtrans-63.5-17.1172.800000113.4G524 I528 F529 T530G524-A526 VanDerWaalsContact C-N 3.31Å; G524-A526 PolarHBondContact O-N 3.1Å; A526-I528 PolarHBondContact O-N 3.13Å; A526-I528 VanDerWaalsContact O-N 3.16Å; A526-F529 PolarHBondContact O-N 3.07Å; A526-T530 WeakPolarHBondContact O-CG2 3.37Å; A526-T530 PolarHBondContact O-N 2.91Å
527N61.7Low72.4Confident98 Ų98104.7 Ų104.752%0.52449%0.489SS..Hα-helixtrans-61.1-28.7-175.1-157.116.5000112.5G524 E525 T530 K531G524-N527 WeakPolarHBondContact O-CB 3.48Å; G524-N527 PolarHBondContact O-N 2.88Å; E525-N527 PolarHBondContact O-N 2.93Å; E525-N527 VanDerWaalsContact O-N 3.14Å; N527-T530 PolarHBondContact O-N 2.98Å; N527-T530 PolarHBondContact O-OG1 2.98Å; N527-T530 PolarHBondContact OD1-OG1 3.3Å; N527-K531 PolarHBondContact O-N 3.42Å
528I61.1Low72.9Confident47 Ų47107.8 Ų107.824%0.24150%0.5CS..Hα-helixtrans-76.1-42.3177.7-67.4173.4000112.2A526 T530 K531 Q532A526-I528 PolarHBondContact O-N 3.13Å; A526-I528 VanDerWaalsContact O-N 3.16Å; I528-T530 PolarHBondContact O-N 3.31Å; I528-K531 WeakPolarHBondContact O-CA 3.26Å; I528-K531 WeakPolarHBondContact O-CB 3.35Å; I528-K531 PolarHBondContact O-N 2.93Å; I528-Q532 PolarHBondContact O-N 3.42Å
529F66.9Low73.5Confident139 Ų139107.3 Ų107.361%0.6151%0.505SS*.Hα-helixtrans-59-39.5171.9-177-99.3000110A526 K531 R533A526-F529 PolarHBondContact O-N 3.07Å; F529-K531 VanDerWaalsContact C-N 3.33Å; F529-K531 PolarHBondContact O-N 2.54Å; F529-R533 VanDerWaalsContact O-CB 3.25Å; F529-R533 WeakPolarHBondContact O-CB 3.25Å; F529-R533 PolarHBondContact O-N 3.31Å
530T73.4Confident74.1Confident48 Ų48103.7 Ų103.729%0.29450%0.498SS..Hα-helixtrans-67.2-29.8172.778.80000113.7A526 N527 I528 R534A526-T530 WeakPolarHBondContact O-CG2 3.37Å; A526-T530 PolarHBondContact O-N 2.91Å; N527-T530 PolarHBondContact O-N 2.98Å; N527-T530 PolarHBondContact O-OG1 2.98Å; N527-T530 PolarHBondContact OD1-OG1 3.3Å; I528-T530 PolarHBondContact O-N 3.31Å; T530-R534 VanDerWaalsContact O-CB 3.3Å; T530-R534 WeakPolarHBondContact O-CB 3.49Å; T530-R534 VanDerWaalsContact O-CG 3.25Å; T530-R534 WeakPolarHBondContact O-CG 3.31Å; T530-R534 PolarHBondContact O-N 3.07Å; T530-R534 PolarHBondContact O-NE 2.89Å; T530-R534 PolarHBondContact OG1-NH2 2.83Å
531K75.2Confident74.8Confident122 Ų122101.4 Ų101.453%0.5349%0.493SS..Hα-helixtrans-70.3-49.7176.4-167.8-176.1-171.5-98.40110.9N527 I528 F529 R533 R534 E535N527-K531 PolarHBondContact O-N 3.42Å; I528-K531 WeakPolarHBondContact O-CA 3.26Å; I528-K531 WeakPolarHBondContact O-CB 3.35Å; I528-K531 PolarHBondContact O-N 2.93Å; F529-K531 VanDerWaalsContact C-N 3.33Å; F529-K531 PolarHBondContact O-N 2.54Å; K531-R533 VanDerWaalsContact C-N 3.3Å; K531-R533 PolarHBondContact O-N 3.28Å; K531-R534 WeakPolarHBondContact O-CB 3.41Å; K531-R534 PolarHBondContact O-N 3.24Å; K531-R534 VanDerWaalsContact O-N 3.11Å; K531-E535 WeakPolarHBondContact CE-OE1 3.43Å; K531-E535 IonicContact NZ-OE1 2.91Å; K531-E535 PolarHBondContact NZ-OE1 2.9Å; K531-E535 WeakPolarHBondContact O-CG 3.24Å; K531-E535 PolarHBondContact O-N 3.32Å
532Q78.5Confident75.6Confident103 Ų103101.8 Ų101.848%0.48150%0.501SS..Hα-helixtrans-62.3-39.8177.5-171.2172.64.800111.3I528 R534 E535 N536I528-Q532 PolarHBondContact O-N 3.42Å; Q532-R534 VanDerWaalsContact C-N 3.34Å; Q532-R534 PolarHBondContact O-N 3.09Å; Q532-E535 PolarHBondContact O-N 3.03Å; Q532-N536 WeakPolarHBondContact O-CB 3.47Å; Q532-N536 VanDerWaalsContact O-CG 3.28Å; Q532-N536 PolarHBondContact O-N 3.41Å; Q532-N536 PolarHBondContact O-OD1 3.47Å
533R80.3Confident76.4Confident173 Ų173100.2 Ų100.265%0.65350%0.502SS*.Hα-helixtrans-64.5-37.4174-168.6174179165.70.4112.4F529 K531 M537F529-R533 VanDerWaalsContact O-CB 3.25Å; F529-R533 WeakPolarHBondContact O-CB 3.25Å; F529-R533 PolarHBondContact O-N 3.31Å; K531-R533 VanDerWaalsContact C-N 3.3Å; K531-R533 PolarHBondContact O-N 3.28Å; R533-M537 VanDerWaalsContact O-CB 3.3Å; R533-M537 WeakPolarHBondContact O-CB 3.49Å; R533-M537 PolarHBondContact O-N 3.02Å
534R82.9Confident77.3Confident135 Ų13598.4 Ų98.451%0.50950%0.498SS..Hα-helixtrans-66.9-45.1174.7-84.8-177.9-106.1-174.4-6112.3T530 K531 Q532 M537 Q538T530-R534 VanDerWaalsContact O-CB 3.3Å; T530-R534 WeakPolarHBondContact O-CB 3.49Å; T530-R534 VanDerWaalsContact O-CG 3.25Å; T530-R534 WeakPolarHBondContact O-CG 3.31Å; T530-R534 PolarHBondContact O-N 3.07Å; T530-R534 PolarHBondContact O-NE 2.89Å; T530-R534 PolarHBondContact OG1-NH2 2.83Å; K531-R534 WeakPolarHBondContact O-CB 3.41Å; K531-R534 PolarHBondContact O-N 3.24Å; K531-R534 VanDerWaalsContact O-N 3.11Å; Q532-R534 VanDerWaalsContact C-N 3.34Å; Q532-R534 PolarHBondContact O-N 3.09Å; R534-M537 PolarHBondContact O-N 3.16Å; R534-Q538 WeakPolarHBondContact O-CB 3.44Å; R534-Q538 WeakPolarHBondContact O-CG 3.4Å; R534-Q538 PolarHBondContact O-N 3.1Å
535E85.8Confident78.3Confident78 Ų78100.9 Ų100.936%0.36450%0.497SS..Hα-helixtrans-61.2-45.5175.9-72.6169.3-177.700110.8K531 Q532 M537 Q538 N539K531-E535 WeakPolarHBondContact CE-OE1 3.43Å; K531-E535 IonicContact NZ-OE1 2.91Å; K531-E535 PolarHBondContact NZ-OE1 2.9Å; K531-E535 WeakPolarHBondContact O-CG 3.24Å; K531-E535 PolarHBondContact O-N 3.32Å; Q532-E535 PolarHBondContact O-N 3.03Å; E535-M537 VanDerWaalsContact C-N 3.35Å; E535-M537 PolarHBondContact O-N 2.98Å; E535-Q538 PolarHBondContact O-N 3.49Å; E535-N539 VanDerWaalsContact O-CG 3.27Å; E535-N539 PolarHBondContact O-N 3.2Å
536N87.8Confident79.2Confident86 Ų8699.6 Ų99.646%0.4650%0.499SS..Hα-helixtrans-60.8-43.1174.8-73.7-0.3000112.1Q532 Q538 N539 I540Q532-N536 WeakPolarHBondContact O-CB 3.47Å; Q532-N536 VanDerWaalsContact O-CG 3.28Å; Q532-N536 PolarHBondContact O-N 3.41Å; Q532-N536 PolarHBondContact O-OD1 3.47Å; N536-Q538 VanDerWaalsContact C-N 3.34Å; N536-Q538 PolarHBondContact O-N 3.05Å; N536-N539 PolarHBondContact O-N 3.38Å; N536-I540 WeakPolarHBondContact O-CD1 3.29Å; N536-I540 WeakPolarHBondContact O-CG1 3.42Å; N536-I540 PolarHBondContact O-N 3.22Å
537M87.8Confident79.9Confident121 Ų121100.4 Ų100.460%0.59651%0.506SS*.Hα-helixtrans-64.5-38.3177.2-174.5175.269.100112.1R533 R534 E535 K541R533-M537 VanDerWaalsContact O-CB 3.3Å; R533-M537 WeakPolarHBondContact O-CB 3.49Å; R533-M537 PolarHBondContact O-N 3.02Å; R534-M537 PolarHBondContact O-N 3.16Å; E535-M537 VanDerWaalsContact C-N 3.35Å; E535-M537 PolarHBondContact O-N 2.98Å; M537-K541 WeakPolarHBondContact O-CB 3.23Å; M537-K541 PolarHBondContact O-N 3.39Å
538Q87.6Confident80.2Confident118 Ų11899.9 Ų99.955%0.55151%0.51SS*.Hα-helixtrans-65.5-44.8174.2-78.9168.2-36.800111.5R534 E535 N536 I540 K541 S542R534-Q538 WeakPolarHBondContact O-CB 3.44Å; R534-Q538 WeakPolarHBondContact O-CG 3.4Å; R534-Q538 PolarHBondContact O-N 3.1Å; E535-Q538 PolarHBondContact O-N 3.49Å; N536-Q538 VanDerWaalsContact C-N 3.34Å; N536-Q538 PolarHBondContact O-N 3.05Å; Q538-I540 PolarHBondContact O-N 3.25Å; Q538-K541 PolarHBondContact O-N 3.44Å; Q538-S542 WeakPolarHBondContact O-CB 3.46Å; Q538-S542 PolarHBondContact O-N 3.14Å; Q538-S542 PolarHBondContact O-OG 3.33Å
539N88Confident80.2Confident100 Ų100105.4 Ų105.454%0.53553%0.532SS..Hα-helixtrans-59.8-46.6175.8-69.1-11.8000111.3E535 N536 K541 S542 S543E535-N539 VanDerWaalsContact O-CG 3.27Å; E535-N539 PolarHBondContact O-N 3.2Å; N536-N539 PolarHBondContact O-N 3.38Å; N539-K541 VanDerWaalsContact C-N 3.32Å; N539-K541 PolarHBondContact O-N 3.08Å; N539-S542 PolarHBondContact O-N 2.87Å; N539-S543 WeakPolarHBondContact O-CB 3.44Å; N539-S543 PolarHBondContact O-N 3.19Å; N539-S543 PolarHBondContact O-OG 3.35Å; N539-S543 VanDerWaalsContact O-OG 3.05Å
540I88.4Confident80Confident107 Ų107109 Ų10955%0.54954%0.542SS..Hα-helixtrans-58.4-46.9176.1-67.8163.1000110.3N536 Q538 S543 M544N536-I540 WeakPolarHBondContact O-CD1 3.29Å; N536-I540 WeakPolarHBondContact O-CG1 3.42Å; N536-I540 PolarHBondContact O-N 3.22Å; Q538-I540 PolarHBondContact O-N 3.25Å; I540-S543 PolarHBondContact O-N 2.95Å; I540-M544 HydrophobicContact CG2-CG 4.43Å; I540-M544 HydrophobicContact CG2-SD 4.1Å; I540-M544 VanDerWaalsContact O-CG 3.31Å; I540-M544 WeakPolarHBondContact O-CG 3.25Å; I540-M544 PolarHBondContact O-N 3.3Å
541K90.2Very high79.4Confident132 Ų132109.3 Ų109.357%0.57456%0.555SS**Hα-helixtrans-61.6-47.2179.9-168.8-179.7-178.5-165.80111.8M537 Q538 N539 S543 M544 E545M537-K541 WeakPolarHBondContact O-CB 3.23Å; M537-K541 PolarHBondContact O-N 3.39Å; Q538-K541 PolarHBondContact O-N 3.44Å; N539-K541 VanDerWaalsContact C-N 3.32Å; N539-K541 PolarHBondContact O-N 3.08Å; K541-S543 VanDerWaalsContact C-N 3.35Å; K541-S543 PolarHBondContact O-N 2.9Å; K541-M544 PolarHBondContact O-N 3.42Å; K541-E545 WeakPolarHBondContact CE-OE1 3.48Å; K541-E545 IonicContact NZ-OE1 3.84Å; K541-E545 WeakPolarHBondContact O-CB 3.17Å; K541-E545 WeakPolarHBondContact O-CG 3.33Å; K541-E545 PolarHBondContact O-N 3.42Å
542S85.9Confident78.1Confident69 Ų69116.2 Ų116.248%0.48359%0.589SS.*Hα-helixtrans-64.9-36.5177.4-63.50000112.6Q538 N539 A546Q538-S542 WeakPolarHBondContact O-CB 3.46Å; Q538-S542 PolarHBondContact O-N 3.14Å; Q538-S542 PolarHBondContact O-OG 3.33Å; N539-S542 PolarHBondContact O-N 2.87Å; S542-A546 VanDerWaalsContact O-CB 3.31Å; S542-A546 WeakPolarHBondContact O-CB 3.39Å; S542-A546 PolarHBondContact O-N 3.25Å
543S85.3Confident78.1Confident80 Ų80116.9 Ų116.956%0.55959%0.594SS**Hα-helixtrans-67.1-38.8173.6-65.60000112.4N539 I540 K541 A547N539-S543 WeakPolarHBondContact O-CB 3.44Å; N539-S543 PolarHBondContact O-N 3.19Å; N539-S543 PolarHBondContact O-OG 3.35Å; N539-S543 VanDerWaalsContact O-OG 3.05Å; I540-S543 PolarHBondContact O-N 2.95Å; K541-S543 VanDerWaalsContact C-N 3.35Å; K541-S543 PolarHBondContact O-N 2.9Å; S543-A547 WeakPolarHBondContact O-CB 3.3Å; S543-A547 PolarHBondContact O-N 3.47Å
544M83.1Confident77.9Confident132 Ų132113.9 Ų113.965%0.6559%0.591SS**Hα-helixtrans-66.3-44.5174.4-71.5-177.974.100111.6I540 K541 A546 A547 S548I540-M544 HydrophobicContact CG2-CG 4.43Å; I540-M544 HydrophobicContact CG2-SD 4.1Å; I540-M544 VanDerWaalsContact O-CG 3.31Å; I540-M544 WeakPolarHBondContact O-CG 3.25Å; I540-M544 PolarHBondContact O-N 3.3Å; K541-M544 PolarHBondContact O-N 3.42Å; M544-A546 VanDerWaalsContact C-N 3.33Å; M544-A546 PolarHBondContact O-N 3.23Å; M544-A547 PolarHBondContact O-N 2.94Å; M544-S548 PolarHBondContact O-N 2.83Å; M544-S548 PolarHBondContact O-OG 3.3Å
545E81.1Confident77.7Confident102 Ų102112.8 Ų112.848%0.47760%0.596SS.*Hα-helixtrans-61.4-40.8176.1-74.7171.8-179.500111.7K541 S548 F549K541-E545 WeakPolarHBondContact CE-OE1 3.48Å; K541-E545 IonicContact NZ-OE1 3.84Å; K541-E545 WeakPolarHBondContact O-CB 3.17Å; K541-E545 WeakPolarHBondContact O-CG 3.33Å; K541-E545 PolarHBondContact O-N 3.42Å; E545-S548 VanDerWaalsContact CA-OG 3.31Å; E545-S548 WeakPolarHBondContact CA-OG 3.35Å; E545-S548 PolarHBondContact O-N 2.96Å; E545-S548 PolarHBondContact O-OG 3.35Å; E545-F549 PolarHBondContact O-N 3.06Å
546A76.4Confident77.2Confident48 Ų48114.8 Ų114.840%0.39761%0.609SS.*Hα-helixtrans-67.3-39.7174.500000112.6S542 M544 S548 F549 W550S542-A546 VanDerWaalsContact O-CB 3.31Å; S542-A546 WeakPolarHBondContact O-CB 3.39Å; S542-A546 PolarHBondContact O-N 3.25Å; M544-A546 VanDerWaalsContact C-N 3.33Å; M544-A546 PolarHBondContact O-N 3.23Å; A546-S548 VanDerWaalsContact C-N 3.32Å; A546-S548 PolarHBondContact O-N 2.88Å; A546-F549 WeakPolarHBondContact O-CB 3.27Å; A546-F549 PolarHBondContact O-N 3.21Å; A546-F549 VanDerWaalsContact O-N 3.12Å; A546-W550 VanDerWaalsContact O-CD1 3.24Å; A546-W550 PolarHBondContact O-N 3.28Å
547A71.9Confident76.5Confident70 Ų70116.6 Ų116.658%0.57962%0.618SS**Hα-helixtrans-64.4-36.4176.500000112.2S543 M544 F549 G551S543-A547 WeakPolarHBondContact O-CB 3.3Å; S543-A547 PolarHBondContact O-N 3.47Å; M544-A547 PolarHBondContact O-N 2.94Å; A547-F549 VanDerWaalsContact C-N 3.3Å; A547-F549 PolarHBondContact O-N 3.15Å; A547-G551 PolarHBondContact O-N 3.34Å
548S66.4Low75.8Confident87 Ų87116.3 Ų116.361%0.60862%0.62SS**Hα-helixtrans-72.1-17.8172.642.70000114.4M544 E545 A546M544-S548 PolarHBondContact O-N 2.83Å; M544-S548 PolarHBondContact O-OG 3.3Å; E545-S548 VanDerWaalsContact CA-OG 3.31Å; E545-S548 WeakPolarHBondContact CA-OG 3.35Å; E545-S548 PolarHBondContact O-N 2.96Å; E545-S548 PolarHBondContact O-OG 3.35Å; A546-S548 VanDerWaalsContact C-N 3.32Å; A546-S548 PolarHBondContact O-N 2.88Å
549F62.3Low74.9Confident164 Ų164116.2 Ų116.272%0.71963%0.625SS**Hα-helixtrans-82.9-27.7177.6-177.6-96.5000113.1E545 A546 A547E545-F549 PolarHBondContact O-N 3.06Å; A546-F549 WeakPolarHBondContact O-CB 3.27Å; A546-F549 PolarHBondContact O-N 3.21Å; A546-F549 VanDerWaalsContact O-N 3.12Å; A547-F549 VanDerWaalsContact C-N 3.3Å; A547-F549 PolarHBondContact O-N 3.15Å
550W63Low73.9Confident215 Ų215117.5 Ų117.581%0.81463%0.632SS**SBendtrans-98.75.6178.3-65.8104.1000113.7A546A546-W550 VanDerWaalsContact O-CD1 3.24Å; A546-W550 PolarHBondContact O-N 3.28Å
551G58.7Low72.7Confident54 Ų54118.3 Ų118.356%0.55764%0.639SS**  trans-111.275.2179.100000112.2A547A547-G551 PolarHBondContact O-N 3.34Å
552E48.6Very low71.2Confident267 Ų267117.1 Ų117.1100%1.24865%0.645SS**  trans-142.30148.7-95.6-169.617400109.3

Retrieved 552 of 552 residues in 142.5 ms (Link to these results)

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