A0A087YNN6_POEFO Loading...

Target of EGR1 protein 1

Inhibits cell growth rate and cell cycle. Induces CDKN1A expression as well as TGF-beta expression. Mediates the inhibitory growth effect of EGR1. Involved in the maturation of snRNAs and snRNA 3'-tail processing.

AlphaFold DB , UniProt , Accession A0A087YNN6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 506 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
1M33.4Very low78.8Confident219 Ų21950.3 Ų50.3100%1.07929%0.294SS*.  0119.60-71.2175.6177.700106.2S3M1-S3 PolarHBondContact O-N 3.32Å
2S49.6Very low80.3Confident42 Ų4246.1 Ų46.129%0.29427%0.269SS..PPolyproline II helixtrans-62.5119.6177171.50000108S4S2-S4 PolarHBondContact O-N 3.36Å
3S58Low81.4Confident87 Ų8743.2 Ų43.261%0.60825%0.252SS*.PPolyproline II helixtrans-64.4131175.750.80000109.2M1 I5M1-S3 PolarHBondContact O-N 3.32Å; S3-I5 PolarHBondContact O-N 3.39Å
4S72.9Confident82.4Confident70 Ų7044.3 Ų44.349%0.4926%0.263SS..PPolyproline II helixtrans-58.1134.1163.1-171.20000107.9S2S2-S4 PolarHBondContact O-N 3.36Å
5I85.4Confident83.2Confident43 Ų4348.3 Ų48.322%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-109.9130.1177-63.5175.7000106.5S3 V7 F246 C262S3-I5 PolarHBondContact O-N 3.39Å; I5-V7 HydrophobicContact CG2-CG2 4.12Å; I5-F246 HydrophobicContact CG2-CE2 3.83Å; I5-F246 HydrophobicContact CG2-CZ 4.36Å; I5-C262 HydrophobicContact CB-CB 4.47Å; I5-C262 PolarHBondContact N-O 2.99Å; I5-C262 WeakPolarHBondContact O-CA 3.37Å; I5-C262 VanDerWaalsContact O-CB 3.27Å; I5-C262 WeakPolarHBondContact O-CB 3.2Å; I5-C262 PolarHBondContact O-N 2.93Å
6V90.9Very high83.9Confident63 Ų6345.3 Ų45.338%0.38227%0.265SS..EExtended strand (participates in β ladder)trans-101.3121.3172.2-174.10000107.9Y259 R260 E261V6-Y259 HydrophobicContact CG1-CD1 3.86Å; V6-Y259 HydrophobicContact CG1-CG 4.26Å; V6-R260 WeakPolarHBondContact CA-O 3.31Å; V6-E261 HydrophobicContact CG2-CG 4.34Å
7V93.2Very high84.6Confident0 Ų043.2 Ų43.20%025%0.252CS..EExtended strand (participates in β ladder)trans-101.6113.7-178.1-178.80000108.5I5 V9 V93 F246 R260 C262 F428 Y431I5-V7 HydrophobicContact CG2-CG2 4.12Å; V7-V9 HydrophobicContact CG1-CG2 4.37Å; V7-V9 PolarHBondContact O-N 3.35Å; V7-V93 HydrophobicContact CG1-CG2 4.23Å; V7-F246 HydrophobicContact CB-CZ 4.38Å; V7-F246 HydrophobicContact CG1-CE1 3.96Å; V7-F246 HydrophobicContact CG1-CZ 4.21Å; V7-F246 HydrophobicContact CG2-CZ 3.93Å; V7-R260 PolarHBondContact N-O 3.34Å; V7-R260 PolarHBondContact O-N 3.45Å; V7-C262 VanDerWaalsContact CG2-SG 3.59Å; V7-F428 HydrophobicContact CB-CE2 4.12Å; V7-F428 HydrophobicContact CG1-CD2 4.39Å; V7-F428 HydrophobicContact CG1-CE2 4.39Å; V7-F428 HydrophobicContact CG2-CE2 4.17Å; V7-Y431 HydrophobicContact CG1-CD1 4.15Å; V7-Y431 HydrophobicContact CG1-CD2 4.05Å; V7-Y431 HydrophobicContact CG1-CE1 4.32Å; V7-Y431 HydrophobicContact CG1-CE2 4.21Å; V7-Y431 HydrophobicContact CG1-CG 4.02Å; V7-Y431 HydrophobicContact CG2-CD1 4.3Å; V7-Y431 HydrophobicContact CG2-CE1 3.68Å; V7-Y431 HydrophobicContact CG2-CE2 4.16Å
8P95.2Very high85.2Confident4 Ų449.8 Ų49.83%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-75.7120.7172.828.9-30.9000110.4F246 Y249 I257 Y259P8-F246 HydrophobicContact CG-CB 3.73Å; P8-F246 HydrophobicContact CG-CD1 3.92Å; P8-F246 HydrophobicContact CG-CG 3.95Å; P8-Y249 HydrophobicContact CB-CD2 4.07Å; P8-Y249 HydrophobicContact CB-CE2 3.65Å; P8-Y249 HydrophobicContact CG-CD2 4.43Å; P8-Y249 HydrophobicContact CG-CE2 3.74Å; P8-I257 HydrophobicContact CB-CG2 3.71Å; P8-Y259 HydrophobicContact CB-CD1 4.05Å; P8-Y259 HydrophobicContact CB-CE1 3.86Å
9V95.8Very high85.7Confident1 Ų152.9 Ų52.91%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-108.2117.8173.1-1780000108.5V7 D11 V93 N95 I257 D258 R260 F428V7-V9 HydrophobicContact CG1-CG2 4.37Å; V7-V9 PolarHBondContact O-N 3.35Å; V9-D11 PolarHBondContact O-N 3.33Å; V9-V93 HydrophobicContact CG1-CG1 4.18Å; V9-V93 HydrophobicContact CG2-CB 4.49Å; V9-V93 HydrophobicContact CG2-CG1 4.11Å; V9-N95 HydrophobicContact CG1-CB 3.82Å; V9-I257 WeakPolarHBondContact O-CA 3.46Å; V9-D258 HydrophobicContact CB-CB 4.47Å; V9-D258 PolarHBondContact N-O 3.44Å; V9-D258 PolarHBondContact O-N 2.65Å; V9-R260 HydrophobicContact CG2-CG 4.09Å; V9-F428 HydrophobicContact CG2-CB 4.5Å; V9-F428 HydrophobicContact CG2-CD2 4.37Å
10I96.6Very high86.1Confident7 Ų750.8 Ų50.84%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-83.4115.2179.6-53.9160.8000108.7V12 L20 V93 Y94 N95 Y249 I257I10-V12 HydrophobicContact CG2-CG2 4.21Å; I10-L20 HydrophobicContact CG2-CD1 3.79Å; I10-V93 PolarHBondContact N-O 3.31Å; I10-Y94 HydrophobicContact CB-CD1 3.88Å; I10-Y94 HydrophobicContact CB-CE1 4.28Å; I10-Y94 HydrophobicContact CD1-CD1 3.73Å; I10-Y94 HydrophobicContact CD1-CE1 3.29Å; I10-Y94 HydrophobicContact CG1-CD1 4.42Å; I10-Y94 HydrophobicContact CG1-CE1 4.4Å; I10-Y94 HydrophobicContact CG2-CD1 4.17Å; I10-Y94 HydrophobicContact CG2-CE1 4.43Å; I10-Y94 CarbonylContact O-C 3.52Å; I10-Y94 WeakPolarHBondContact O-CA 3.37Å; I10-N95 PolarHBondContact O-N 2.58Å; I10-Y249 HydrophobicContact CD1-CE1 3.74Å; I10-Y249 WeakPolarHBondContact CD1-OH 2.94Å; I10-Y249 HydrophobicContact CG1-CE1 4.12Å; I10-I257 HydrophobicContact CG1-CG1 4.26Å
11D96.1Very high86.6Confident17 Ų1750.3 Ų50.39%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-81.8121.2175.6-71.3-9.2000110.9V9 H13 N16 K123 Y256 R425V9-D11 PolarHBondContact O-N 3.33Å; D11-H13 WeakPolarHBondContact CB-CE1 2.83Å; D11-N16 PolarHBondContact O-ND2 3.37Å; D11-K123 IonicContact OD2-NZ 3.51Å; D11-K123 PolarHBondContact OD2-NZ 2.83Å; D11-Y256 PolarHBondContact N-O 3.38Å; D11-R425 IonicContact OD1-CZ 3.25Å; D11-R425 VanDerWaalsContact OD1-CZ 3.28Å; D11-R425 IonicContact OD1-NH1 3.73Å; D11-R425 PolarHBondContact OD1-NH1 2.94Å; D11-R425 IonicContact OD1-NH2 3.33Å; D11-R425 PolarHBondContact OD1-NH2 2.91Å; D11-R425 IonicContact OD2-NH1 2.71Å; D11-R425 IonicContact OD2-NH2 2.65Å
12V96.9Very high89.6Confident0 Ų043.7 Ų43.70%025%0.245CC..EExtended strand (participates in β ladder)trans-116.5126.6-175.6-165.40000110.1I10 N16 F17 L20 M24 Y94 N95 L96 T97 I129I10-V12 HydrophobicContact CG2-CG2 4.21Å; V12-N16 WeakPolarHBondContact CA-OD1 3.34Å; V12-F17 HydrophobicContact CG1-CB 4.23Å; V12-F17 HydrophobicContact CG1-CD2 3.65Å; V12-F17 HydrophobicContact CG1-CG 4.45Å; V12-L20 HydrophobicContact CB-CD1 4.48Å; V12-L20 HydrophobicContact CG1-CD1 4.17Å; V12-L20 HydrophobicContact CG2-CD1 3.94Å; V12-M24 HydrophobicContact CG1-CE 4.38Å; V12-M24 HydrophobicContact CG1-SD 4.28Å; V12-M24 HydrophobicContact CG2-SD 4.27Å; V12-Y94 HydrophobicContact CG2-CD1 3.98Å; V12-N95 PolarHBondContact N-O 3.49Å; V12-L96 HydrophobicContact CB-CD1 4.45Å; V12-L96 HydrophobicContact CB-CG 4Å; V12-L96 HydrophobicContact CG1-CG 4.41Å; V12-L96 HydrophobicContact CG2-CD1 4.33Å; V12-L96 HydrophobicContact CG2-CG 4.41Å; V12-L96 WeakPolarHBondContact O-CA 3.34Å; V12-T97 PolarHBondContact O-N 3.24Å; V12-I129 HydrophobicContact CG1-CD1 4.2Å
13H95Very high91.8Very high9 Ų943.9 Ų43.94%0.04225%0.249CC..  trans-137.7176.1-177.3-34.582.5000109.3D11 N15 N16 F17 K123 C127D11-H13 WeakPolarHBondContact CB-CE1 2.83Å; H13-N15 PolarHBondContact O-N 2.81Å; H13-N15 VanDerWaalsContact O-N 3.11Å; H13-N16 PolarHBondContact N-OD1 3.16Å; H13-N16 PolarHBondContact O-N 2.96Å; H13-N16 PolarHBondContact O-OD1 3.4Å; H13-F17 WeakPolarHBondContact O-CB 3.45Å; H13-F17 PolarHBondContact O-N 3.42Å; H13-K123 VanDerWaalsContact CE1-CE 3.5Å; H13-K123 WeakPolarHBondContact CE1-CE 3.32Å; H13-K123 PolarHBondContact CE1-NZ 3.26Å; H13-K123 WeakPolarHBondContact NE2-CE 3.36Å; H13-K123 PolarHBondContact NE2-NZ 3.29Å; H13-C127 HydrophobicContact CB-CB 4.06Å; H13-C127 VanDerWaalsContact CB-O 3.29Å; H13-C127 WeakPolarHBondContact CB-O 3.34Å
14S95.3Very high93.7Very high58 Ų5839.9 Ų39.941%0.40622%0.221SC..THydrogen-bonded Turntrans-56.2-32.2-176.5640000114C127S14-C127 WeakPolarHBondContact CB-O 3.41Å; S14-C127 PolarHBondContact N-O 2.88Å; S14-C127 PolarHBondContact OG-O 3.1Å; S14-C127 VanDerWaalsContact OG-O 3.05Å
15N94.1Very high94.8Very high105 Ų10537.2 Ų37.256%0.56120%0.202SC*.THydrogen-bonded Turntrans-73.2-34.2-178.162.7-7.1000114.1H13H13-N15 PolarHBondContact O-N 2.81Å; H13-N15 VanDerWaalsContact O-N 3.11Å
16N94.8Very high95.4Very high0 Ų039.2 Ų39.20%022%0.215CC..THydrogen-bonded Turntrans-111.5-5.4-176.8704000113.1D11 V12 H13 K18 E19 L20 Y256D11-N16 PolarHBondContact O-ND2 3.37Å; V12-N16 WeakPolarHBondContact CA-OD1 3.34Å; H13-N16 PolarHBondContact N-OD1 3.16Å; H13-N16 PolarHBondContact O-N 2.96Å; H13-N16 PolarHBondContact O-OD1 3.4Å; N16-K18 VanDerWaalsContact C-N 3.3Å; N16-K18 PolarHBondContact O-N 3.04Å; N16-E19 WeakPolarHBondContact O-CB 3.07Å; N16-E19 PolarHBondContact O-N 3.11Å; N16-E19 VanDerWaalsContact O-N 3.14Å; N16-L20 HydrophobicContact CB-CD1 4.22Å; N16-L20 WeakPolarHBondContact O-CG 3.33Å; N16-L20 PolarHBondContact O-N 3.04Å; N16-Y256 HydrophobicContact CB-CD2 4.47Å; N16-Y256 HydrophobicContact CB-CE2 4.23Å; N16-Y256 WeakPolarHBondContact ND2-CD1 3.38Å
17F95.9Very high95.8Very high10 Ų1036.2 Ų36.24%0.04420%0.198CC..Hα-helixtrans-56.5-41.4-177.5-174.2-118000113.1V12 H13 W21 M24 L96 I129 V145 L150V12-F17 HydrophobicContact CG1-CB 4.23Å; V12-F17 HydrophobicContact CG1-CD2 3.65Å; V12-F17 HydrophobicContact CG1-CG 4.45Å; H13-F17 WeakPolarHBondContact O-CB 3.45Å; H13-F17 PolarHBondContact O-N 3.42Å; F17-W21 AromaticContact CE1-CE3 3.9Å; F17-W21 HydrophobicContact CE1-CE3 3.9Å; F17-W21 AromaticContact CE1-CZ3 3.88Å; F17-W21 HydrophobicContact CE1-CZ3 3.88Å; F17-W21 HydrophobicContact CE2-CE3 4.41Å; F17-W21 AromaticContact CZ-CE3 3.78Å; F17-W21 HydrophobicContact CZ-CE3 3.78Å; F17-W21 AromaticContact CZ-CZ3 3.64Å; F17-W21 HydrophobicContact CZ-CZ3 3.64Å; F17-W21 WeakPolarHBondContact O-CB 3.25Å; F17-W21 PolarHBondContact O-N 2.71Å; F17-M24 HydrophobicContact CD2-CE 3.69Å; F17-M24 HydrophobicContact CE2-CE 3.58Å; F17-M24 HydrophobicContact CE2-SD 4.4Å; F17-M24 HydrophobicContact CZ-CE 4.47Å; F17-L96 HydrophobicContact CE2-CD2 3.96Å; F17-I129 HydrophobicContact CB-CD1 4.15Å; F17-I129 HydrophobicContact CB-CG1 4.17Å; F17-I129 HydrophobicContact CD1-CG2 4.19Å; F17-I129 HydrophobicContact CD2-CD1 3.44Å; F17-I129 VanDerWaalsContact CD2-CD1 3.44Å; F17-I129 HydrophobicContact CD2-CG1 4.23Å; F17-I129 HydrophobicContact CE1-CG2 4.28Å; F17-I129 HydrophobicContact CE2-CD1 3.92Å; F17-I129 HydrophobicContact CG-CD1 3.86Å; F17-I129 HydrophobicContact CG-CG1 4.15Å; F17-I129 HydrophobicContact CG-CG2 4.4Å; F17-V145 HydrophobicContact CD1-CG1 3.81Å; F17-V145 HydrophobicContact CE1-CG1 3.86Å; F17-L150 HydrophobicContact CE2-CD2 4.13Å; F17-L150 HydrophobicContact CZ-CD2 4.38Å
18K95.2Very high96Very high162 Ų16236.3 Ų36.370%0.70420%0.198SC*.Hα-helixtrans-71.6-35.2179.3-173.9177.8179.3-177.70113.1N16 W21 V145N16-K18 VanDerWaalsContact C-N 3.3Å; N16-K18 PolarHBondContact O-N 3.04Å; K18-W21 WeakPolarHBondContact O-CB 3.23Å; K18-V145 HydrophobicContact CB-CG1 4.17Å; K18-V145 HydrophobicContact CG-CG1 4.3Å
19E94.1Very high96.1Very high108 Ų10841.1 Ų41.151%0.50522%0.218SC..Hα-helixtrans-68.7-46.5176.3-175.7-170.8149.800110.9N16 W21 P22N16-E19 WeakPolarHBondContact O-CB 3.07Å; N16-E19 PolarHBondContact O-N 3.11Å; N16-E19 VanDerWaalsContact O-N 3.14Å; E19-W21 VanDerWaalsContact C-N 3.26Å; E19-W21 PolarHBondContact O-N 3.2Å; E19-P22 VanDerWaalsContact O-CD 3.28Å; E19-P22 WeakPolarHBondContact O-CD 3.34Å
20L94.9Very high96.2Very high11 Ų1143.7 Ų43.76%0.05823%0.234CC..Hα-helixtrans-77.8-9.5-178.4-65.5174.9000113.6I10 V12 N16 A23 M24 L253I10-L20 HydrophobicContact CG2-CD1 3.79Å; V12-L20 HydrophobicContact CB-CD1 4.48Å; V12-L20 HydrophobicContact CG1-CD1 4.17Å; V12-L20 HydrophobicContact CG2-CD1 3.94Å; N16-L20 HydrophobicContact CB-CD1 4.22Å; N16-L20 WeakPolarHBondContact O-CG 3.33Å; N16-L20 PolarHBondContact O-N 3.04Å; L20-A23 PolarHBondContact O-N 3.35Å; L20-M24 HydrophobicContact CB-CE 4.33Å; L20-M24 PolarHBondContact O-N 3.17Å; L20-L253 HydrophobicContact CD2-CD2 3.81Å
21W96.2Very high96.2Very high41 Ų4143.4 Ų43.416%0.15523%0.233CC..Hα-helixtrans-51.6-52.3-176.6177.4-91.1000114.1F17 K18 E19 A23 M24 V25 V145 H146 T149 L150F17-W21 AromaticContact CE1-CE3 3.9Å; F17-W21 HydrophobicContact CE1-CE3 3.9Å; F17-W21 AromaticContact CE1-CZ3 3.88Å; F17-W21 HydrophobicContact CE1-CZ3 3.88Å; F17-W21 HydrophobicContact CE2-CE3 4.41Å; F17-W21 AromaticContact CZ-CE3 3.78Å; F17-W21 HydrophobicContact CZ-CE3 3.78Å; F17-W21 AromaticContact CZ-CZ3 3.64Å; F17-W21 HydrophobicContact CZ-CZ3 3.64Å; F17-W21 WeakPolarHBondContact O-CB 3.25Å; F17-W21 PolarHBondContact O-N 2.71Å; K18-W21 WeakPolarHBondContact O-CB 3.23Å; E19-W21 VanDerWaalsContact C-N 3.26Å; E19-W21 PolarHBondContact O-N 3.2Å; W21-A23 VanDerWaalsContact C-N 3.29Å; W21-A23 PolarHBondContact O-N 3.4Å; W21-M24 HydrophobicContact CE3-CE 4.44Å; W21-M24 PolarHBondContact O-N 3.19Å; W21-V25 HydrophobicContact CD2-CG2 4.24Å; W21-V25 HydrophobicContact CZ2-CG2 4.09Å; W21-V25 WeakPolarHBondContact O-CG2 3.44Å; W21-V25 PolarHBondContact O-N 2.81Å; W21-V145 HydrophobicContact CB-CG1 4.08Å; W21-V145 HydrophobicContact CD2-CB 4.37Å; W21-V145 HydrophobicContact CD2-CG1 3.81Å; W21-V145 HydrophobicContact CD2-CG2 4.16Å; W21-V145 HydrophobicContact CE3-CB 4.36Å; W21-V145 HydrophobicContact CE3-CG1 3.58Å; W21-V145 HydrophobicContact CG-CG1 4.04Å; W21-V145 HydrophobicContact CG-CG2 4.14Å; W21-V145 HydrophobicContact CZ3-CG1 4.21Å; W21-H146 WeakPolarHBondContact CZ3-O 3.48Å; W21-T149 HydrophobicContact CH2-CG2 3.66Å; W21-T149 HydrophobicContact CZ2-CG2 3.7Å; W21-L150 HydrophobicContact CE3-CD1 4.45Å; W21-L150 HydrophobicContact CH2-CB 3.94Å; W21-L150 HydrophobicContact CH2-CD1 4.39Å; W21-L150 HydrophobicContact CZ3-CB 3.72Å; W21-L150 HydrophobicContact CZ3-CD1 4.14Å; W21-L150 HydrophobicContact CZ3-CG 4.45Å
22P95.9Very high96.3Very high80 Ų8043.7 Ų43.752%0.51924%0.237SC..Hα-helixtrans-61.7-39.1-179-21.435.1000112.1E19 V25 V26E19-P22 VanDerWaalsContact O-CD 3.28Å; E19-P22 WeakPolarHBondContact O-CD 3.34Å; P22-V25 PolarHBondContact O-N 3.47Å; P22-V26 WeakPolarHBondContact O-CB 3.47Å; P22-V26 VanDerWaalsContact O-CG2 3.26Å; P22-V26 WeakPolarHBondContact O-CG2 3.47Å; P22-V26 PolarHBondContact O-N 3.01Å
23A95.4Very high96.4Very high46 Ų4643.7 Ų43.738%0.3824%0.237SC..Hα-helixtrans-63.7-46.3178.600000111.5L20 W21 V25 V26 A27L20-A23 PolarHBondContact O-N 3.35Å; W21-A23 VanDerWaalsContact C-N 3.29Å; W21-A23 PolarHBondContact O-N 3.4Å; A23-V25 PolarHBondContact O-N 3.15Å; A23-V26 PolarHBondContact O-N 3.16Å; A23-A27 WeakPolarHBondContact O-CB 2.91Å; A23-A27 PolarHBondContact O-N 2.93Å
24M97.6Very high96.5Very high2 Ų243.4 Ų43.41%0.0124%0.235CC..Hα-helixtrans-60.8-45.3176.6-70.6-175.7-65.200112.1V12 F17 L20 W21 V26 A27 I28 Y94 L96 L150V12-M24 HydrophobicContact CG1-CE 4.38Å; V12-M24 HydrophobicContact CG1-SD 4.28Å; V12-M24 HydrophobicContact CG2-SD 4.27Å; F17-M24 HydrophobicContact CD2-CE 3.69Å; F17-M24 HydrophobicContact CE2-CE 3.58Å; F17-M24 HydrophobicContact CE2-SD 4.4Å; F17-M24 HydrophobicContact CZ-CE 4.47Å; L20-M24 HydrophobicContact CB-CE 4.33Å; L20-M24 PolarHBondContact O-N 3.17Å; W21-M24 HydrophobicContact CE3-CE 4.44Å; W21-M24 PolarHBondContact O-N 3.19Å; M24-V26 PolarHBondContact O-N 3.02Å; M24-A27 WeakPolarHBondContact O-CB 3.37Å; M24-A27 PolarHBondContact O-N 2.72Å; M24-I28 WeakPolarHBondContact O-CB 3.41Å; M24-I28 VanDerWaalsContact O-CG1 3.31Å; M24-I28 WeakPolarHBondContact O-CG1 3.49Å; M24-I28 PolarHBondContact O-N 3.22Å; M24-Y94 HydrophobicContact CG-CD1 3.65Å; M24-Y94 HydrophobicContact CG-CD2 4.45Å; M24-Y94 HydrophobicContact CG-CE1 3.47Å; M24-Y94 VanDerWaalsContact CG-CE1 3.47Å; M24-Y94 HydrophobicContact CG-CE2 4.31Å; M24-Y94 HydrophobicContact CG-CG 4.15Å; M24-Y94 HydrophobicContact SD-CD1 4.18Å; M24-L96 HydrophobicContact SD-CD1 4.46Å; M24-L150 HydrophobicContact CB-CD1 4.17Å; M24-L150 HydrophobicContact CE-CD2 4.38Å; M24-L150 HydrophobicContact SD-CD2 4.09Å
25V97.6Very high96.7Very high15 Ų1540.6 Ų40.69%0.09122%0.216CC..Hα-helixtrans-64.4-40.7179.4173.40000111.3W21 P22 A23 K29 L150 E153W21-V25 HydrophobicContact CD2-CG2 4.24Å; W21-V25 HydrophobicContact CZ2-CG2 4.09Å; W21-V25 WeakPolarHBondContact O-CG2 3.44Å; W21-V25 PolarHBondContact O-N 2.81Å; P22-V25 PolarHBondContact O-N 3.47Å; A23-V25 PolarHBondContact O-N 3.15Å; V25-K29 HydrophobicContact CG1-CD 3.9Å; V25-K29 HydrophobicContact CG1-CG 4.5Å; V25-K29 WeakPolarHBondContact O-CB 3.28Å; V25-K29 VanDerWaalsContact O-CG 3.32Å; V25-K29 WeakPolarHBondContact O-CG 3.26Å; V25-K29 PolarHBondContact O-N 3.23Å; V25-L150 HydrophobicContact CG2-CD1 4.19Å; V25-E153 HydrophobicContact CG1-CG 4.42Å; V25-E153 HydrophobicContact CG2-CG 4.18Å
26V97.8Very high96.9Very high84 Ų8435.7 Ų35.751%0.50919%0.189SC..Hα-helixtrans-65.2-43.1175.1170.30000111.1P22 A23 M24 I28 K29 T30P22-V26 WeakPolarHBondContact O-CB 3.47Å; P22-V26 VanDerWaalsContact O-CG2 3.26Å; P22-V26 WeakPolarHBondContact O-CG2 3.47Å; P22-V26 PolarHBondContact O-N 3.01Å; A23-V26 PolarHBondContact O-N 3.16Å; M24-V26 PolarHBondContact O-N 3.02Å; V26-I28 PolarHBondContact O-N 2.74Å; V26-K29 PolarHBondContact O-N 2.99Å; V26-T30 HydrophobicContact CG1-CG2 4.15Å; V26-T30 WeakPolarHBondContact O-CB 3.32Å; V26-T30 WeakPolarHBondContact O-CG2 3.44Å; V26-T30 PolarHBondContact O-N 3.36Å; V26-T30 PolarHBondContact O-OG1 3.34Å
27A98.2Very high97.1Very high1 Ų136.7 Ų36.71%0.00820%0.195CC..Hα-helixtrans-57.2-49.8176.400000111.4A23 M24 S31 C77 Q92 Y94A23-A27 WeakPolarHBondContact O-CB 2.91Å; A23-A27 PolarHBondContact O-N 2.93Å; M24-A27 WeakPolarHBondContact O-CB 3.37Å; M24-A27 PolarHBondContact O-N 2.72Å; A27-S31 WeakPolarHBondContact O-CB 3.31Å; A27-S31 PolarHBondContact O-N 3.49Å; A27-C77 HydrophobicContact CB-CB 4.06Å; A27-Q92 HydrophobicContact CB-CB 4.46Å; A27-Y94 HydrophobicContact CB-CE2 3.9Å
28I98.4Very high97.2Very high2 Ų236.7 Ų36.71%0.0120%0.195CC..Hα-helixtrans-58.9-51.7177.7-73.4168.4000110.6M24 V26 T30 S31 I34 L150 L154 A157M24-I28 WeakPolarHBondContact O-CB 3.41Å; M24-I28 VanDerWaalsContact O-CG1 3.31Å; M24-I28 WeakPolarHBondContact O-CG1 3.49Å; M24-I28 PolarHBondContact O-N 3.22Å; V26-I28 PolarHBondContact O-N 2.74Å; I28-T30 PolarHBondContact O-N 2.96Å; I28-S31 PolarHBondContact O-N 3.48Å; I28-S31 PolarHBondContact O-OG 2.78Å; I28-I34 HydrophobicContact CB-CD1 4.32Å; I28-I34 HydrophobicContact CG1-CD1 4.36Å; I28-I34 HydrophobicContact CG2-CD1 3.85Å; I28-L150 HydrophobicContact CD1-CD1 3.68Å; I28-L150 HydrophobicContact CD1-CG 4.16Å; I28-L154 HydrophobicContact CG2-CB 4.37Å; I28-A157 HydrophobicContact CG2-CB 3.72Å
29K97.3Very high97.3Very high104 Ų10430 Ų3045%0.45217%0.167SC..Hα-helixtrans-65.4-39.1-176.1-75.1176.7178.8168.80113.5V25 V26 E153 K159V25-K29 HydrophobicContact CG1-CD 3.9Å; V25-K29 HydrophobicContact CG1-CG 4.5Å; V25-K29 WeakPolarHBondContact O-CB 3.28Å; V25-K29 VanDerWaalsContact O-CG 3.32Å; V25-K29 WeakPolarHBondContact O-CG 3.26Å; V25-K29 PolarHBondContact O-N 3.23Å; V26-K29 PolarHBondContact O-N 2.99Å; K29-E153 WeakPolarHBondContact CE-OE2 3.49Å; K29-E153 IonicContact NZ-OE2 3.86Å; K29-E153 PolarHBondContact NZ-OE2 2.97Å; K29-K159 WeakPolarHBondContact O-CE 3.12Å; K29-K159 PolarHBondContact O-NZ 3.4Å; K29-K159 VanDerWaalsContact O-NZ 3.16Å
30T97Very high97.5Very high55 Ų5525.6 Ų25.634%0.33715%0.146SC..Hα-helixtrans-89.2-9.6-175.362.70000113.8V26 I28 K79V26-T30 HydrophobicContact CG1-CG2 4.15Å; V26-T30 WeakPolarHBondContact O-CB 3.32Å; V26-T30 WeakPolarHBondContact O-CG2 3.44Å; V26-T30 PolarHBondContact O-N 3.36Å; V26-T30 PolarHBondContact O-OG1 3.34Å; I28-T30 PolarHBondContact O-N 2.96Å; T30-K79 WeakPolarHBondContact O-CG 3.32Å
31S97.7Very high97.6Very high2 Ų225 Ų251%0.01414%0.144CC..  trans-61.8155.5174.268.70000112.5A27 I28 I34 K159A27-S31 WeakPolarHBondContact O-CB 3.31Å; A27-S31 PolarHBondContact O-N 3.49Å; I28-S31 PolarHBondContact O-N 3.48Å; I28-S31 PolarHBondContact O-OG 2.78Å; S31-I34 VanDerWaalsContact OG-CG1 3.28Å; S31-I34 WeakPolarHBondContact OG-CG1 3.35Å; S31-K159 VanDerWaalsContact O-CD 3.25Å; S31-K159 WeakPolarHBondContact O-CD 3.15Å; S31-K159 WeakPolarHBondContact O-CE 3.31Å; S31-K159 PolarHBondContact O-NZ 2.9Å
32S96.9Very high97.5Very high23 Ų2323.1 Ų23.116%0.16114%0.137CC..SBendtrans-85.7-41.1168.6-57.60000110.4Y78 K80S32-Y78 WeakPolarHBondContact CB-O 3.36Å; S32-Y78 PolarHBondContact N-O 3.34Å; S32-K80 VanDerWaalsContact OG-CB 3.25Å; S32-K80 WeakPolarHBondContact OG-CB 3.11Å; S32-K80 PolarHBondContact OG-N 2.92Å
33F98.4Very high97.2Very high0 Ų022.8 Ų22.80%013%0.13CC..EExtended strand (participates in β ladder)trans-146.7163171.167.4-94.3000110.5Y78 Y89 A160 V162 F437 A438 W463F33-Y78 HydrophobicContact CD2-CD2 4.3Å; F33-Y78 HydrophobicContact CD2-CG 4.32Å; F33-Y78 VanDerWaalsContact CE1-CB 3.49Å; F33-Y78 HydrophobicContact CE1-CD1 4.26Å; F33-Y78 AromaticContact CE1-CG 3.98Å; F33-Y78 HydrophobicContact CE1-CG 3.98Å; F33-Y78 HydrophobicContact CE2-CD1 4.11Å; F33-Y78 AromaticContact CE2-CD2 3.48Å; F33-Y78 HydrophobicContact CE2-CD2 3.48Å; F33-Y78 VanDerWaalsContact CE2-CD2 3.48Å; F33-Y78 HydrophobicContact CE2-CE2 4.2Å; F33-Y78 AromaticContact CE2-CG 3.44Å; F33-Y78 HydrophobicContact CE2-CG 3.44Å; F33-Y78 VanDerWaalsContact CE2-CG 3.44Å; F33-Y78 AromaticContact CZ-CD1 3.52Å; F33-Y78 HydrophobicContact CZ-CD1 3.52Å; F33-Y78 AromaticContact CZ-CD2 3.79Å; F33-Y78 HydrophobicContact CZ-CD2 3.79Å; F33-Y78 HydrophobicContact CZ-CE1 4.28Å; F33-Y78 AromaticContact CZ-CG 3.23Å; F33-Y78 HydrophobicContact CZ-CG 3.23Å; F33-Y78 PolarHBondContact N-O 3.37Å; F33-Y78 PolarHBondContact O-N 3.29Å; F33-Y78 VanDerWaalsContact O-N 3.08Å; F33-Y89 HydrophobicContact CD1-CE1 4.44Å; F33-Y89 HydrophobicContact CE1-CD1 4.24Å; F33-Y89 AromaticContact CE1-CE1 3.76Å; F33-Y89 HydrophobicContact CE1-CE1 3.76Å; F33-A160 HydrophobicContact CB-CB 3.93Å; F33-V162 HydrophobicContact CB-CG2 4.33Å; F33-V162 HydrophobicContact CD2-CB 4.49Å; F33-V162 HydrophobicContact CD2-CG2 3.63Å; F33-V162 HydrophobicContact CE2-CG2 4.3Å; F33-V162 HydrophobicContact CG-CG2 4.26Å; F33-F437 HydrophobicContact CB-CE1 4.33Å; F33-F437 HydrophobicContact CD1-CD1 4.07Å; F33-F437 HydrophobicContact CD1-CE1 4.04Å; F33-F437 AromaticContact CD2-CD1 3.87Å; F33-F437 HydrophobicContact CD2-CD1 3.87Å; F33-F437 HydrophobicContact CD2-CE1 4.23Å; F33-F437 HydrophobicContact CE1-CD1 4.02Å; F33-F437 HydrophobicContact CE1-CE1 4.4Å; F33-F437 AromaticContact CE2-CD1 3.82Å; F33-F437 HydrophobicContact CE2-CD1 3.82Å; F33-F437 AromaticContact CG-CD1 3.99Å; F33-F437 HydrophobicContact CG-CD1 3.99Å; F33-F437 AromaticContact CG-CE1 3.94Å; F33-F437 HydrophobicContact CG-CE1 3.94Å; F33-F437 AromaticContact CZ-CD1 3.89Å; F33-F437 HydrophobicContact CZ-CD1 3.89Å; F33-A438 HydrophobicContact CE1-CB 4.46Å; F33-A438 HydrophobicContact CZ-CB 4.1Å; F33-W463 HydrophobicContact CD1-CH2 4.31Å; F33-W463 HydrophobicContact CD1-CZ3 4.26Å
34I98.8Very high97Very high2 Ų221.5 Ų21.51%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-125.7126.9-178.5-57.8171.1000108.6I28 S31 L36 I75 L154 K159 A160 V162I28-I34 HydrophobicContact CB-CD1 4.32Å; I28-I34 HydrophobicContact CG1-CD1 4.36Å; I28-I34 HydrophobicContact CG2-CD1 3.85Å; S31-I34 VanDerWaalsContact OG-CG1 3.28Å; S31-I34 WeakPolarHBondContact OG-CG1 3.35Å; I34-L36 HydrophobicContact CG2-CD2 3.9Å; I34-L36 HydrophobicContact CG2-CG 4.36Å; I34-I75 HydrophobicContact CG2-CG2 3.91Å; I34-L154 HydrophobicContact CD1-CD1 4.42Å; I34-L154 HydrophobicContact CD1-CG 4Å; I34-L154 HydrophobicContact CG2-CD1 4.19Å; I34-K159 HydrophobicContact CD1-CB 4Å; I34-K159 HydrophobicContact CD1-CG 4.11Å; I34-K159 HydrophobicContact CG1-CB 4.1Å; I34-K159 HydrophobicContact CG1-CG 4.44Å; I34-A160 PolarHBondContact N-O 3.5Å; I34-V162 PolarHBondContact O-N 3.28Å
35A98.8Very high96.5Very high0 Ų026.2 Ų26.20%015%0.146CC..EExtended strand (participates in β ladder)trans-101.3137.5170.800000110.7A76 V162 A430 T433A35-A76 HydrophobicContact CB-CB 4.34Å; A35-A76 PolarHBondContact N-O 3.36Å; A35-A76 PolarHBondContact O-N 3.02Å; A35-V162 CarbonylContact C-O 3.56Å; A35-V162 WeakPolarHBondContact CA-O 3.37Å; A35-V162 HydrophobicContact CB-CB 4.07Å; A35-A430 WeakPolarHBondContact CB-O 3.36Å; A35-T433 HydrophobicContact CB-CG2 4.11Å
36L98.7Very high95.8Very high2 Ų231.5 Ų31.51%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-124.8155.9179.1-59.5-175.7000110.9I34 G74 I75 L154 L161 V162 L163 L173I34-L36 HydrophobicContact CG2-CD2 3.9Å; I34-L36 HydrophobicContact CG2-CG 4.36Å; L36-G74 WeakPolarHBondContact CA-O 3.3Å; L36-G74 WeakPolarHBondContact CD2-O 3.37Å; L36-I75 HydrophobicContact CD2-CB 4.07Å; L36-I75 HydrophobicContact CD2-CG1 3.78Å; L36-I75 HydrophobicContact CD2-CG2 3.92Å; L36-L154 HydrophobicContact CD1-CD1 3.98Å; L36-L154 HydrophobicContact CD2-CD1 4.08Å; L36-L154 HydrophobicContact CG-CD1 4.49Å; L36-L161 HydrophobicContact CB-CD1 4.39Å; L36-L161 HydrophobicContact CD1-CD1 3.56Å; L36-L161 HydrophobicContact CG-CD1 3.7Å; L36-V162 PolarHBondContact N-O 2.98Å; L36-L163 HydrophobicContact CB-CD2 3.9Å; L36-L173 HydrophobicContact CD1-CD1 3.73Å
37D98.5Very high95.3Very high20 Ų2035 Ų3511%0.10717%0.173CC..EExtended strand (participates in β ladder)trans-155.5151.4170.8-172.678.8000109.6G74 D429 A430D37-G74 PolarHBondContact N-O 2.93Å; D37-G74 PolarHBondContact O-N 3.13Å; D37-D429 HydrophobicContact CB-CB 3.98Å; D37-D429 WeakPolarHBondContact OD2-CB 3.24Å; D37-A430 HydrophobicContact CB-CB 4.03Å
38T98.2Very high94.9Very high10 Ų1037.3 Ų37.36%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-130139.7-17865.50000113.7L40 I70 S72 L73 D169 L173T38-L40 WeakPolarHBondContact OG1-CD2 3.37Å; T38-I70 HydrophobicContact CG2-CD1 4.35Å; T38-I70 HydrophobicContact CG2-CG2 4.29Å; T38-S72 WeakPolarHBondContact CA-O 3.39Å; T38-L73 HydrophobicContact CG2-CD1 3.84Å; T38-D169 WeakPolarHBondContact CB-OD1 3.48Å; T38-D169 HydrophobicContact CG2-CB 4.43Å; T38-D169 PolarHBondContact N-OD1 3.03Å; T38-D169 VanDerWaalsContact N-OD1 3.13Å; T38-D169 PolarHBondContact OG1-OD1 3.15Å; T38-L173 HydrophobicContact CG2-CD2 4.3Å; T38-L173 HydrophobicContact CG2-CG 4.35Å
39E97.6Very high94.3Very high22 Ų2238.5 Ų38.510%0.10320%0.195CC..EExtended strand (participates in β ladder)trans-97.9128.3164.3-60-67.4-173.400109.3L71 S72 L114 F119 A426E39-L71 PolarHBondContact O-N 2.87Å; E39-S72 PolarHBondContact N-O 3.03Å; E39-S72 PolarHBondContact O-N 2.91Å; E39-L114 HydrophobicContact CB-CD2 4.13Å; E39-L114 HydrophobicContact CG-CD2 4.17Å; E39-L114 WeakPolarHBondContact OE2-CD2 3.26Å; E39-F119 HydrophobicContact CB-CE2 4.31Å; E39-A426 HydrophobicContact CG-CB 4.02Å
40L97.3Very high93.9Very high15 Ų1536.8 Ų36.88%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-117.6148.7-168.3-57179.2000111.5T38 G42 L43 I70 I168 F172T38-L40 WeakPolarHBondContact OG1-CD2 3.37Å; L40-G42 PolarHBondContact O-N 3.28Å; L40-G42 VanDerWaalsContact O-N 3.13Å; L40-L43 HydrophobicContact CB-CD2 4.48Å; L40-L43 HydrophobicContact CD1-CD2 3.64Å; L40-I70 HydrophobicContact CD2-CB 4.28Å; L40-I70 HydrophobicContact CD2-CG1 3.79Å; L40-I70 HydrophobicContact CD2-CG2 4.49Å; L40-I168 HydrophobicContact CD1-CG2 3.69Å; L40-F172 HydrophobicContact CB-CE1 4.48Å; L40-F172 HydrophobicContact CD1-CD1 4.26Å; L40-F172 HydrophobicContact CD1-CD2 3.74Å; L40-F172 HydrophobicContact CD1-CE1 4.21Å; L40-F172 HydrophobicContact CD1-CE2 3.71Å; L40-F172 HydrophobicContact CD1-CG 4.01Å; L40-F172 HydrophobicContact CD1-CZ 3.93Å; L40-F172 HydrophobicContact CD2-CB 4.09Å; L40-F172 HydrophobicContact CD2-CD1 3.49Å; L40-F172 VanDerWaalsContact CD2-CD1 3.49Å; L40-F172 HydrophobicContact CD2-CD2 4.33Å; L40-F172 HydrophobicContact CD2-CE1 3.87Å; L40-F172 HydrophobicContact CD2-CG 3.72Å; L40-F172 HydrophobicContact CD2-CZ 4.43Å; L40-F172 HydrophobicContact CG-CD1 4.41Å; L40-F172 HydrophobicContact CG-CE1 4.42Å
41S96.6Very high93.5Very high0 Ų035.3 Ų35.30%018%0.184CC..SBendtrans-68.1-10.2177.174.80000113.9R68 S69 I105 E107S41-R68 WeakPolarHBondContact OG-CA 3.44Å; S41-R68 VanDerWaalsContact OG-CB 3.29Å; S41-R68 WeakPolarHBondContact OG-CB 3.39Å; S41-S69 PolarHBondContact N-O 3.45Å; S41-S69 PolarHBondContact OG-N 3.14Å; S41-I105 PolarHBondContact OG-O 3.44Å; S41-E107 PolarHBondContact O-N 3.3Å
42G95.4Very high93.1Very high1 Ų143.6 Ų43.61%0.0122%0.223CC..  trans170.3169178.500000110.5L40 R68 E107L40-G42 PolarHBondContact O-N 3.28Å; L40-G42 VanDerWaalsContact O-N 3.13Å; G42-R68 WeakPolarHBondContact O-CD 3.48Å; G42-E107 VanDerWaalsContact CA-OE2 3.27Å; G42-E107 WeakPolarHBondContact CA-OE2 3.09Å
43L90.2Very high92.9Very high73 Ų7344.8 Ų44.838%0.38223%0.231SC..  trans-116.3-18.2178.3-63.9177000112.8L40 L49 A64 E107 I168L40-L43 HydrophobicContact CB-CD2 4.48Å; L40-L43 HydrophobicContact CD1-CD2 3.64Å; L43-L49 HydrophobicContact CB-CD1 3.86Å; L43-L49 WeakPolarHBondContact O-CD1 3.04Å; L43-A64 VanDerWaalsContact O-CB 3.31Å; L43-A64 WeakPolarHBondContact O-CB 3.33Å; L43-E107 PolarHBondContact N-OE2 3.23Å; L43-I168 HydrophobicContact CD2-CD1 4.35Å; L43-I168 HydrophobicContact CD2-CG2 4.04Å
44G90.1Very high92.6Very high19 Ų1947.2 Ų47.220%0.19624%0.244CC..  trans90.3-168.3-173.300000112.9R46 E107G44-R46 PolarHBondContact O-N 2.67Å; G44-R46 VanDerWaalsContact O-N 3.12Å; G44-E107 WeakPolarHBondContact CA-OE1 3.34Å; G44-E107 PolarHBondContact N-OE1 2.74Å; G44-E107 PolarHBondContact N-OE2 2.84Å
45N87.3Confident92.4Very high100 Ų10050.8 Ų50.854%0.53526%0.26SS..  trans-65.9113.8-175.8-175.6-27.2000111.3K47 S48 L49N45-K47 VanDerWaalsContact C-N 3.29Å; N45-K47 PolarHBondContact O-N 3.24Å; N45-K47 WeakPolarHBondContact OD1-CB 3.25Å; N45-K47 PolarHBondContact OD1-N 3.21Å; N45-S48 WeakPolarHBondContact O-CB 3.47Å; N45-S48 PolarHBondContact O-N 3.2Å; N45-L49 WeakPolarHBondContact O-CG 3.42Å; N45-L49 PolarHBondContact O-N 2.99Å
46R83.7Confident92.2Very high127 Ų12754.4 Ų54.448%0.47928%0.279SS..Hα-helixtrans-56.9-36.8-179-172.8174.1175.9-180-6.8113.6G44 S48 L49 L50 E345G44-R46 PolarHBondContact O-N 2.67Å; G44-R46 VanDerWaalsContact O-N 3.12Å; R46-S48 VanDerWaalsContact C-N 3.32Å; R46-S48 PolarHBondContact O-N 3.35Å; R46-L49 PolarHBondContact O-N 3.38Å; R46-L50 HydrophobicContact CG-CD1 4.3Å; R46-L50 PolarHBondContact O-N 3.01Å; R46-E345 IonicContact NH2-OE2 3.87Å
47K87.3Confident92Very high158 Ų15854.8 Ų54.869%0.68728%0.281SS*.Hα-helixtrans-63.1-42.1177.3-65.3-179179.3175.80110.5N45 L50 A51N45-K47 VanDerWaalsContact C-N 3.29Å; N45-K47 PolarHBondContact O-N 3.24Å; N45-K47 WeakPolarHBondContact OD1-CB 3.25Å; N45-K47 PolarHBondContact OD1-N 3.21Å; K47-L50 CarbonylContact O-C 3.55Å; K47-L50 PolarHBondContact O-N 3Å; K47-A51 PolarHBondContact O-N 3.49Å
48S88.1Confident91.9Very high48 Ų4853.9 Ų53.934%0.33628%0.276SS..Hα-helixtrans-68.8-35.3177.6-50.30000112.6N45 R46 L50 A51N45-S48 WeakPolarHBondContact O-CB 3.47Å; N45-S48 PolarHBondContact O-N 3.2Å; R46-S48 VanDerWaalsContact C-N 3.32Å; R46-S48 PolarHBondContact O-N 3.35Å; S48-L50 PolarHBondContact O-N 3.31Å; S48-A51 VanDerWaalsContact O-CB 3.27Å; S48-A51 WeakPolarHBondContact O-CB 3.27Å; S48-A51 PolarHBondContact O-N 2.99Å
49L86.9Confident91.9Very high27 Ų2758 Ų5814%0.14129%0.293CS..Hα-helixtrans-68-17.9174.5-63.5176000113.6L43 N45 R46 R57 A60 I61L43-L49 HydrophobicContact CB-CD1 3.86Å; L43-L49 WeakPolarHBondContact O-CD1 3.04Å; N45-L49 WeakPolarHBondContact O-CG 3.42Å; N45-L49 PolarHBondContact O-N 2.99Å; R46-L49 PolarHBondContact O-N 3.38Å; L49-R57 VanDerWaalsContact O-CD 3.29Å; L49-R57 WeakPolarHBondContact O-CD 3.32Å; L49-R57 VanDerWaalsContact O-CG 3.27Å; L49-R57 WeakPolarHBondContact O-CG 3.37Å; L49-R57 PolarHBondContact O-NE 2.97Å; L49-A60 HydrophobicContact CD2-CB 4.35Å; L49-I61 HydrophobicContact CD2-CG1 3.61Å
50L87.8Confident91.8Very high68 Ų6858 Ų5836%0.35630%0.297SS..THydrogen-bonded Turntrans-106.510.5176.9-65.7174.9000112.8R46 K47 S48 R57R46-L50 HydrophobicContact CG-CD1 4.3Å; R46-L50 PolarHBondContact O-N 3.01Å; K47-L50 CarbonylContact O-C 3.55Å; K47-L50 PolarHBondContact O-N 3Å; S48-L50 PolarHBondContact O-N 3.31Å; L50-R57 PolarHBondContact O-NH2 3.41Å
51A89.6Confident91.8Very high24 Ų2457.5 Ų57.520%0.19829%0.294CS..  trans-51.2143.4-179.200000112.4K47 S48 S53 D56 R57K47-A51 PolarHBondContact O-N 3.49Å; S48-A51 VanDerWaalsContact O-CB 3.27Å; S48-A51 WeakPolarHBondContact O-CB 3.27Å; S48-A51 PolarHBondContact O-N 2.99Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-D56 HydrophobicContact CB-CB 4.45Å; A51-R57 HydrophobicContact CB-CB 4.3Å; A51-R57 PolarHBondContact O-NE 3.42Å; A51-R57 PolarHBondContact O-NH2 2.94Å
52E89.1Confident91.8Very high176 Ų17659.3 Ų59.382%0.82230%0.301SS*.SBendtrans-66-35.7177.6-67.1-171.3172.100111.6K476E52-K476 WeakPolarHBondContact O-CE 3.42Å; E52-K476 PolarHBondContact O-NZ 3.18Å
53S93.2Very high91.9Very high48 Ų4864.8 Ų64.834%0.33633%0.326SS..SBendtrans-76.5124.4172.1170.80000110A51 E55 D56 R57A51-S53 VanDerWaalsContact C-N 3.31Å; S53-E55 VanDerWaalsContact C-N 3.25Å; S53-E55 PolarHBondContact O-N 2.88Å; S53-E55 PolarHBondContact OG-N 3.18Å; S53-D56 WeakPolarHBondContact CB-OD2 3.29Å; S53-D56 PolarHBondContact O-N 2.99Å; S53-D56 PolarHBondContact OG-N 3.24Å; S53-D56 PolarHBondContact OG-OD2 3.37Å; S53-R57 WeakPolarHBondContact O-CB 3.33Å; S53-R57 PolarHBondContact O-N 3.5Å
54I92.4Very high92.2Very high52 Ų5261.4 Ų61.427%0.26731%0.309SS..Hα-helixtrans-66.5-33.8176.6-56.6174.1000110R57 Y58 L185 L473 K476 L480I54-R57 PolarHBondContact O-N 2.9Å; I54-Y58 WeakPolarHBondContact O-CB 3.43Å; I54-Y58 PolarHBondContact O-N 2.66Å; I54-L185 HydrophobicContact CB-CD2 4.42Å; I54-L185 HydrophobicContact CG2-CD2 3.59Å; I54-L473 HydrophobicContact CD1-CD1 3.68Å; I54-L473 HydrophobicContact CG1-CD1 4.04Å; I54-L473 HydrophobicContact CG2-CD1 4.38Å; I54-K476 HydrophobicContact CD1-CD 4.2Å; I54-K476 HydrophobicContact CG1-CD 3.84Å; I54-K476 VanDerWaalsContact CG1-CE 3.48Å; I54-L480 HydrophobicContact CG2-CD1 4.32Å
55E94.2Very high92.5Very high77 Ų7760.5 Ų60.536%0.3630%0.3SS..Hα-helixtrans-65.6-43.7177.2-68.7-68.617200111.4S53 Y58 K59 L185S53-E55 VanDerWaalsContact C-N 3.25Å; S53-E55 PolarHBondContact O-N 2.88Å; S53-E55 PolarHBondContact OG-N 3.18Å; E55-Y58 WeakPolarHBondContact O-CB 3.46Å; E55-Y58 PolarHBondContact O-N 3.03Å; E55-K59 WeakPolarHBondContact O-CG 3.44Å; E55-K59 PolarHBondContact O-N 2.97Å; E55-L185 VanDerWaalsContact OE2-CB 3.24Å; E55-L185 WeakPolarHBondContact OE2-CB 3.42Å
56D94.6Very high93Very high75 Ų7560.5 Ų60.540%0.40129%0.292SS..Hα-helixtrans-73-34.1179.1-58.9-44.3000111.9A51 S53 Y58 K59 A60A51-D56 HydrophobicContact CB-CB 4.45Å; S53-D56 WeakPolarHBondContact CB-OD2 3.29Å; S53-D56 PolarHBondContact O-N 2.99Å; S53-D56 PolarHBondContact OG-N 3.24Å; S53-D56 PolarHBondContact OG-OD2 3.37Å; D56-Y58 VanDerWaalsContact C-N 3.33Å; D56-K59 PolarHBondContact O-N 3.37Å; D56-K59 IonicContact OD1-NZ 2.8Å; D56-K59 PolarHBondContact OD1-NZ 3.39Å; D56-A60 PolarHBondContact O-N 2.97Å
57R95.1Very high93.6Very high10 Ų1056.1 Ų56.14%0.03828%0.281CS..Hα-helixtrans-58.4-46.9168.1-174.5-177.6-56.7-157-5.1111.1L49 L50 A51 S53 I54 A60 I61 S474L49-R57 VanDerWaalsContact O-CD 3.29Å; L49-R57 WeakPolarHBondContact O-CD 3.32Å; L49-R57 VanDerWaalsContact O-CG 3.27Å; L49-R57 WeakPolarHBondContact O-CG 3.37Å; L49-R57 PolarHBondContact O-NE 2.97Å; L50-R57 PolarHBondContact O-NH2 3.41Å; A51-R57 HydrophobicContact CB-CB 4.3Å; A51-R57 PolarHBondContact O-NE 3.42Å; A51-R57 PolarHBondContact O-NH2 2.94Å; S53-R57 WeakPolarHBondContact O-CB 3.33Å; S53-R57 PolarHBondContact O-N 3.5Å; I54-R57 PolarHBondContact O-N 2.9Å; R57-A60 WeakPolarHBondContact O-CB 3.49Å; R57-A60 PolarHBondContact O-N 3.4Å; R57-I61 HydrophobicContact CG-CD1 4.21Å; R57-I61 WeakPolarHBondContact O-CG1 3.49Å; R57-I61 PolarHBondContact O-N 2.94Å; R57-S474 PolarHBondContact NH1-O 2.97Å; R57-S474 PolarHBondContact NH2-O 2.82Å
58Y96.5Very high94Very high2 Ų250.2 Ų50.21%0.00825%0.254CS..Hα-helixtrans-62.3-44.3177.4177.5-105.4000111.7I54 E55 D56 A60 I61 W62 P182 L185 F188I54-Y58 WeakPolarHBondContact O-CB 3.43Å; I54-Y58 PolarHBondContact O-N 2.66Å; E55-Y58 WeakPolarHBondContact O-CB 3.46Å; E55-Y58 PolarHBondContact O-N 3.03Å; D56-Y58 VanDerWaalsContact C-N 3.33Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 3.49Å; Y58-I61 CarbonylContact O-C 3.45Å; Y58-I61 PolarHBondContact O-N 2.84Å; Y58-I61 VanDerWaalsContact O-N 3.16Å; Y58-W62 HydrophobicContact CE1-CB 4.42Å; Y58-W62 VanDerWaalsContact O-CB 3.32Å; Y58-W62 WeakPolarHBondContact O-CB 3.46Å; Y58-W62 PolarHBondContact O-N 2.87Å; Y58-P182 WeakPolarHBondContact CE1-O 3.4Å; Y58-P182 PolarHBondContact OH-O 2.97Å; Y58-L185 HydrophobicContact CD1-CB 3.74Å; Y58-L185 HydrophobicContact CD1-CD1 4.38Å; Y58-L185 HydrophobicContact CD2-CD1 3.64Å; Y58-L185 HydrophobicContact CE1-CB 4.31Å; Y58-L185 HydrophobicContact CE2-CD1 4.21Å; Y58-L185 HydrophobicContact CG-CB 3.86Å; Y58-L185 HydrophobicContact CG-CD1 3.73Å; Y58-L185 HydrophobicContact CG-CG 4.33Å; Y58-F188 HydrophobicContact CD2-CD1 4.16Å; Y58-F188 HydrophobicContact CE2-CB 4.11Å; Y58-F188 AromaticContact CE2-CD1 3.32Å; Y58-F188 HydrophobicContact CE2-CD1 3.32Å; Y58-F188 AromaticContact CE2-CE1 3.79Å; Y58-F188 HydrophobicContact CE2-CE1 3.79Å; Y58-F188 AromaticContact CE2-CG 3.79Å; Y58-F188 HydrophobicContact CE2-CG 3.79Å; Y58-F188 AromaticContact CZ-CD1 3.87Å; Y58-F188 AromaticContact CZ-CG 3.86Å; Y58-F188 WeakPolarHBondContact OH-CB 3.49Å; Y58-F188 WeakPolarHBondContact OH-CG 3.46Å
59K96.4Very high94.5Very high96 Ų9648 Ų4842%0.41724%0.238SC..Hα-helixtrans-57.4-41.8174.6-71.6172.7-1681600111.9E55 D56 W62 H63E55-K59 WeakPolarHBondContact O-CG 3.44Å; E55-K59 PolarHBondContact O-N 2.97Å; D56-K59 PolarHBondContact O-N 3.37Å; D56-K59 IonicContact OD1-NZ 2.8Å; D56-K59 PolarHBondContact OD1-NZ 3.39Å; K59-W62 WeakPolarHBondContact O-CB 3.49Å; K59-W62 PolarHBondContact O-N 3.26Å; K59-H63 PolarHBondContact O-CD2 2.71Å; K59-H63 PolarHBondContact O-N 2.96Å
60A96.4Very high95Very high22 Ų2246.7 Ų46.718%0.18223%0.232CC..Hα-helixtrans-61.8-45.817600000111.9L49 D56 R57 Y58 W62 H63 A64L49-A60 HydrophobicContact CD2-CB 4.35Å; D56-A60 PolarHBondContact O-N 2.97Å; R57-A60 WeakPolarHBondContact O-CB 3.49Å; R57-A60 PolarHBondContact O-N 3.4Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 3.49Å; A60-W62 VanDerWaalsContact C-N 3.3Å; A60-W62 PolarHBondContact O-N 3.45Å; A60-H63 PolarHBondContact O-N 3.38Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 3.35Å
61I97.2Very high95.5Very high5 Ų543.4 Ų43.43%0.02622%0.215CC..Hα-helixtrans-61.7-40.3174.6-65.1169.4000110.7L49 R57 Y58 A64 A65 L167 I168 A171L49-I61 HydrophobicContact CD2-CG1 3.61Å; R57-I61 HydrophobicContact CG-CD1 4.21Å; R57-I61 WeakPolarHBondContact O-CG1 3.49Å; R57-I61 PolarHBondContact O-N 2.94Å; Y58-I61 CarbonylContact O-C 3.45Å; Y58-I61 PolarHBondContact O-N 2.84Å; Y58-I61 VanDerWaalsContact O-N 3.16Å; I61-A64 PolarHBondContact O-N 3.42Å; I61-A65 WeakPolarHBondContact O-CB 3.32Å; I61-A65 PolarHBondContact O-N 2.7Å; I61-L167 HydrophobicContact CD1-CD2 3.68Å; I61-L167 HydrophobicContact CD1-CG 3.89Å; I61-I168 HydrophobicContact CD1-CG1 4.05Å; I61-I168 HydrophobicContact CG1-CG1 4.18Å; I61-I168 HydrophobicContact CG2-CG1 4.49Å; I61-A171 HydrophobicContact CG2-CB 3.43Å; I61-A171 VanDerWaalsContact CG2-CB 3.43Å
62W96.9Very high95.9Very high37 Ų3742.3 Ų42.314%0.1421%0.205CC..Hα-helixtrans-61.9-46.7178.7179.498.7000111.9Y58 K59 A60 A64 R66 L181 P182Y58-W62 HydrophobicContact CE1-CB 4.42Å; Y58-W62 VanDerWaalsContact O-CB 3.32Å; Y58-W62 WeakPolarHBondContact O-CB 3.46Å; Y58-W62 PolarHBondContact O-N 2.87Å; K59-W62 WeakPolarHBondContact O-CB 3.49Å; K59-W62 PolarHBondContact O-N 3.26Å; A60-W62 VanDerWaalsContact C-N 3.3Å; A60-W62 PolarHBondContact O-N 3.45Å; W62-A64 VanDerWaalsContact C-N 3.34Å; W62-R66 VanDerWaalsContact CE2-CD 3.42Å; W62-R66 WeakPolarHBondContact O-CG 3.41Å; W62-R66 PolarHBondContact O-N 2.93Å; W62-L181 HydrophobicContact CB-CD2 4.02Å; W62-L181 VanDerWaalsContact CD1-CD2 3.44Å; W62-L181 HydrophobicContact CG-CD2 3.93Å; W62-L181 HydrophobicContact CG-CG 4.47Å; W62-L181 PolarHBondContact NE1-O 3.23Å; W62-P182 PolarHBondContact NE1-O 3.43Å
63H96.4Very high96.3Very high116 Ų11634.2 Ų34.254%0.53717%0.168SC..Hα-helixtrans-62.6-42.7174.1-76.2-67.4000111.3K59 A60 R66 S67K59-H63 PolarHBondContact O-CD2 2.71Å; K59-H63 PolarHBondContact O-N 2.96Å; A60-H63 PolarHBondContact O-N 3.38Å; H63-R66 PolarHBondContact O-N 2.79Å; H63-S67 PolarHBondContact O-N 3.16Å; H63-S67 PolarHBondContact O-OG 2.87Å
64A96.9Very high96.6Very high3 Ų332 Ų323%0.02515%0.152CC..Hα-helixtrans-60.8-51.9178.800000112L43 A60 I61 W62 R66 S67 R68 F172L43-A64 VanDerWaalsContact O-CB 3.31Å; L43-A64 WeakPolarHBondContact O-CB 3.33Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 3.35Å; I61-A64 PolarHBondContact O-N 3.42Å; W62-A64 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 2.86Å; A64-S67 PolarHBondContact O-N 2.76Å; A64-R68 VanDerWaalsContact O-CB 3.3Å; A64-R68 WeakPolarHBondContact O-CB 3.14Å; A64-R68 PolarHBondContact O-N 2.96Å; A64-F172 HydrophobicContact CB-CE2 4.35Å; A64-F172 HydrophobicContact CB-CZ 4.38Å
65A97.4Very high96.9Very high0 Ų029.8 Ų29.80%014%0.141CC..Hα-helixtrans-60.4-31.2-17900000113.1I61 A171 F172 Q175 L181I61-A65 WeakPolarHBondContact O-CB 3.32Å; I61-A65 PolarHBondContact O-N 2.7Å; A65-A171 HydrophobicContact CB-CB 4.32Å; A65-F172 HydrophobicContact CB-CD1 4.45Å; A65-F172 HydrophobicContact CB-CD2 3.8Å; A65-F172 HydrophobicContact CB-CE2 3.98Å; A65-F172 HydrophobicContact CB-CG 4.08Å; A65-F172 HydrophobicContact CB-CZ 4.42Å; A65-Q175 HydrophobicContact CB-CB 4.12Å; A65-Q175 HydrophobicContact CB-CG 4.41Å; A65-Q175 VanDerWaalsContact O-CG 3.24Å; A65-Q175 WeakPolarHBondContact O-CG 3.47Å; A65-L181 HydrophobicContact CB-CD2 4.11Å
66R96Very high97.1Very high99 Ų9926.1 Ų26.137%0.37412%0.124SC..Hα-helixtrans-76.3-40.7178.2-73.3-179.366.61012.5113.2W62 H63 A64 Q175W62-R66 VanDerWaalsContact CE2-CD 3.42Å; W62-R66 WeakPolarHBondContact O-CG 3.41Å; W62-R66 PolarHBondContact O-N 2.93Å; H63-R66 PolarHBondContact O-N 2.79Å; A64-R66 PolarHBondContact O-N 2.86Å; R66-Q175 HydrophobicContact CG-CG 4.1Å
67S96.5Very high97.3Very high35 Ų3522.7 Ų22.725%0.24511%0.105CC..Hα-helixtrans-92.3-22.8-173.374.90000113.8H63 A64 Y104 I105H63-S67 PolarHBondContact O-N 3.16Å; H63-S67 PolarHBondContact O-OG 2.87Å; A64-S67 PolarHBondContact O-N 2.76Å; S67-Y104 WeakPolarHBondContact O-CA 3.28Å; S67-I105 PolarHBondContact O-N 3.17Å
68R97.3Very high97.4Very high35 Ų3522.2 Ų22.213%0.13210%0.103CC..SBendtrans-103.3171.2-179.9-68.9149.4-178.985.53.1110.8S41 G42 A64 I105 E107 K133 F172S41-R68 WeakPolarHBondContact OG-CA 3.44Å; S41-R68 VanDerWaalsContact OG-CB 3.29Å; S41-R68 WeakPolarHBondContact OG-CB 3.39Å; G42-R68 WeakPolarHBondContact O-CD 3.48Å; A64-R68 VanDerWaalsContact O-CB 3.3Å; A64-R68 WeakPolarHBondContact O-CB 3.14Å; A64-R68 PolarHBondContact O-N 2.96Å; R68-I105 HydrophobicContact CG-CB 4.32Å; R68-E107 IonicContact CZ-OE1 3.47Å; R68-E107 IonicContact NE-OE1 3.07Å; R68-E107 PolarHBondContact NE-OE1 2.74Å; R68-E107 IonicContact NH2-OE1 3.05Å; R68-E107 PolarHBondContact NH2-OE1 2.83Å; R68-K133 WeakPolarHBondContact O-CE 3.13Å; R68-K133 PolarHBondContact O-NZ 3.08Å; R68-F172 HydrophobicContact CB-CE1 3.79Å; R68-F172 HydrophobicContact CB-CZ 3.91Å
69S97.1Very high97.5Very high0 Ų025.9 Ų25.90%012%0.12CC..  trans-123.6154.4-176.263.50000111.9S41 Y104 Y131S41-S69 PolarHBondContact N-O 3.45Å; S41-S69 PolarHBondContact OG-N 3.14Å; S69-Y104 WeakPolarHBondContact OG-CD2 3.34Å; S69-Y104 WeakPolarHBondContact OG-CE2 3.41Å; S69-Y131 WeakPolarHBondContact CB-OH 3.43Å
70I98.1Very high97.4Very high0 Ų023.8 Ų23.80%011%0.111CC..EExtended strand (participates in β ladder)trans-78.2125.3161.9-55176.9000107.7T38 L40 S72 L98 Y131 F172 L173 F177T38-I70 HydrophobicContact CG2-CD1 4.35Å; T38-I70 HydrophobicContact CG2-CG2 4.29Å; L40-I70 HydrophobicContact CD2-CB 4.28Å; L40-I70 HydrophobicContact CD2-CG1 3.79Å; L40-I70 HydrophobicContact CD2-CG2 4.49Å; I70-S72 VanDerWaalsContact CG2-O 3.31Å; I70-S72 WeakPolarHBondContact CG2-O 3.44Å; I70-L98 HydrophobicContact CB-CD1 4.24Å; I70-L98 HydrophobicContact CG2-CD1 3.6Å; I70-Y131 PolarHBondContact N-OH 2.89Å; I70-Y131 PolarHBondContact O-OH 3.33Å; I70-F172 HydrophobicContact CD1-CB 4.04Å; I70-F172 HydrophobicContact CG1-CB 3.95Å; I70-F172 HydrophobicContact CG1-CD1 4.03Å; I70-F172 HydrophobicContact CG1-CG 4.46Å; I70-L173 HydrophobicContact CD1-CD2 4.25Å; I70-F177 HydrophobicContact CD1-CD2 4.49Å; I70-F177 HydrophobicContact CD1-CE2 3.67Å; I70-F177 HydrophobicContact CD1-CZ 3.79Å
71L97.6Very high97.2Very high0 Ų024.3 Ų24.30%011%0.11CC..EExtended strand (participates in β ladder)trans-94.8-35.6177.8-53.4175.7000111.7E39 L98 Y104 L114 F119 F121E39-L71 PolarHBondContact O-N 2.87Å; L71-L98 PolarHBondContact O-N 3.28Å; L71-Y104 HydrophobicContact CD2-CE2 4.43Å; L71-L114 HydrophobicContact CD1-CD1 3.51Å; L71-F119 HydrophobicContact CB-CE1 4.49Å; L71-F119 HydrophobicContact CB-CE2 4.22Å; L71-F119 HydrophobicContact CB-CZ 3.73Å; L71-F121 HydrophobicContact CD1-CE1 3.85Å; L71-F121 HydrophobicContact CD1-CZ 4.12Å
72S97.8Very high96.7Very high1 Ų131.2 Ų31.21%0.00715%0.147CC..EExtended strand (participates in β ladder)trans-145.7144.8175-174.80000110.8T38 E39 I70 N95 L96T38-S72 WeakPolarHBondContact CA-O 3.39Å; E39-S72 PolarHBondContact N-O 3.03Å; E39-S72 PolarHBondContact O-N 2.91Å; I70-S72 VanDerWaalsContact CG2-O 3.31Å; I70-S72 WeakPolarHBondContact CG2-O 3.44Å; S72-N95 PolarHBondContact OG-ND2 3.34Å; S72-N95 VanDerWaalsContact OG-ND2 3.16Å; S72-N95 PolarHBondContact OG-OD1 2.82Å; S72-L96 CarbonylContact C-O 3.56Å; S72-L96 VanDerWaalsContact CA-O 3.24Å; S72-L96 WeakPolarHBondContact CA-O 3.39Å; S72-L96 PolarHBondContact OG-O 3.14Å
73L98.6Very high96.1Very high6 Ų638.8 Ų38.83%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-120.9123.1175.1173.265.4000109.6T38 I75 L96 L98 I147 L173 F177T38-L73 HydrophobicContact CG2-CD1 3.84Å; L73-I75 HydrophobicContact CD2-CD1 4.04Å; L73-I75 HydrophobicContact CD2-CG1 4.14Å; L73-I75 HydrophobicContact CG-CD1 4.43Å; L73-I75 HydrophobicContact CG-CG1 4Å; L73-L96 HydrophobicContact CB-CB 4.38Å; L73-L96 PolarHBondContact N-O 3.29Å; L73-L96 PolarHBondContact O-N 2.8Å; L73-L98 HydrophobicContact CB-CD1 3.69Å; L73-I147 HydrophobicContact CD2-CD1 4.24Å; L73-L173 HydrophobicContact CD1-CD2 3.81Å; L73-L173 HydrophobicContact CD2-CD2 4.45Å; L73-F177 HydrophobicContact CD2-CE2 4.04Å
74G98.5Very high95.6Very high0 Ų038 Ų380%018%0.179CC..EExtended strand (participates in β ladder)trans-89.3134.1170.300000111.3L36 D37 Y94 A426L36-G74 WeakPolarHBondContact CA-O 3.3Å; L36-G74 WeakPolarHBondContact CD2-O 3.37Å; D37-G74 PolarHBondContact N-O 2.93Å; D37-G74 PolarHBondContact O-N 3.13Å; G74-Y94 WeakPolarHBondContact CA-O 3.13Å; G74-A426 WeakPolarHBondContact CA-O 3.4Å
75I98.7Very high95Very high7 Ų741.3 Ų41.34%0.03620%0.2CC..EExtended strand (participates in β ladder)trans-131.7116.8172.8-49.3-179.3000108.4I34 L36 L73 V93 Y94 L96 L150I34-I75 HydrophobicContact CG2-CG2 3.91Å; L36-I75 HydrophobicContact CD2-CB 4.07Å; L36-I75 HydrophobicContact CD2-CG1 3.78Å; L36-I75 HydrophobicContact CD2-CG2 3.92Å; L73-I75 HydrophobicContact CD2-CD1 4.04Å; L73-I75 HydrophobicContact CD2-CG1 4.14Å; L73-I75 HydrophobicContact CG-CD1 4.43Å; L73-I75 HydrophobicContact CG-CG1 4Å; I75-V93 CarbonylContact O-C 3.58Å; I75-V93 WeakPolarHBondContact O-CA 3Å; I75-Y94 PolarHBondContact N-O 3.3Å; I75-Y94 PolarHBondContact O-N 2.96Å; I75-L96 HydrophobicContact CD1-CD1 3.94Å; I75-L96 HydrophobicContact CD1-CD2 4.41Å; I75-L96 HydrophobicContact CG1-CD1 4.17Å; I75-L150 HydrophobicContact CD1-CD2 4.16Å
76A98.7Very high94.4Very high0 Ų046.3 Ų46.30%023%0.233CC..EExtended strand (participates in β ladder)trans-114.6113.417200000110.1A35 Y78 Q92 V93 A430A35-A76 HydrophobicContact CB-CB 4.34Å; A35-A76 PolarHBondContact N-O 3.36Å; A35-A76 PolarHBondContact O-N 3.02Å; A76-Y78 HydrophobicContact CB-CD2 4.34Å; A76-Y78 HydrophobicContact CB-CE2 3.84Å; A76-Q92 WeakPolarHBondContact CA-O 3.32Å; A76-V93 HydrophobicContact CB-CG2 4.36Å; A76-A430 HydrophobicContact CB-CB 4.11Å
77C98.8Very high94Very high2 Ų242.6 Ų42.61%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-95117.5178.9-66.20000109.5A27 V91 Q92A27-C77 HydrophobicContact CB-CB 4.06Å; C77-V91 WeakPolarHBondContact O-CA 3.43Å; C77-Q92 PolarHBondContact N-O 2.73Å; C77-Q92 PolarHBondContact O-N 2.99Å; C77-Q92 VanDerWaalsContact O-N 3.09Å
78Y98.4Very high93.9Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-105.1109.3178.5-79.5-105.9000109.6S32 F33 A76 Y89 V91 L244 Y431 Y435S32-Y78 WeakPolarHBondContact CB-O 3.36Å; S32-Y78 PolarHBondContact N-O 3.34Å; F33-Y78 HydrophobicContact CD2-CD2 4.3Å; F33-Y78 HydrophobicContact CD2-CG 4.32Å; F33-Y78 VanDerWaalsContact CE1-CB 3.49Å; F33-Y78 HydrophobicContact CE1-CD1 4.26Å; F33-Y78 AromaticContact CE1-CG 3.98Å; F33-Y78 HydrophobicContact CE1-CG 3.98Å; F33-Y78 HydrophobicContact CE2-CD1 4.11Å; F33-Y78 AromaticContact CE2-CD2 3.48Å; F33-Y78 HydrophobicContact CE2-CD2 3.48Å; F33-Y78 VanDerWaalsContact CE2-CD2 3.48Å; F33-Y78 HydrophobicContact CE2-CE2 4.2Å; F33-Y78 AromaticContact CE2-CG 3.44Å; F33-Y78 HydrophobicContact CE2-CG 3.44Å; F33-Y78 VanDerWaalsContact CE2-CG 3.44Å; F33-Y78 AromaticContact CZ-CD1 3.52Å; F33-Y78 HydrophobicContact CZ-CD1 3.52Å; F33-Y78 AromaticContact CZ-CD2 3.79Å; F33-Y78 HydrophobicContact CZ-CD2 3.79Å; F33-Y78 HydrophobicContact CZ-CE1 4.28Å; F33-Y78 AromaticContact CZ-CG 3.23Å; F33-Y78 HydrophobicContact CZ-CG 3.23Å; F33-Y78 PolarHBondContact N-O 3.37Å; F33-Y78 PolarHBondContact O-N 3.29Å; F33-Y78 VanDerWaalsContact O-N 3.08Å; A76-Y78 HydrophobicContact CB-CD2 4.34Å; A76-Y78 HydrophobicContact CB-CE2 3.84Å; Y78-Y89 HydrophobicContact CD1-CD1 4.32Å; Y78-Y89 HydrophobicContact CD1-CG 4.13Å; Y78-V91 HydrophobicContact CD1-CG1 4.46Å; Y78-V91 HydrophobicContact CD1-CG2 3.57Å; Y78-V91 HydrophobicContact CD2-CG1 4.21Å; Y78-V91 HydrophobicContact CE1-CB 4.5Å; Y78-V91 HydrophobicContact CE1-CG1 4.14Å; Y78-V91 HydrophobicContact CE1-CG2 3.48Å; Y78-V91 VanDerWaalsContact CE1-CG2 3.48Å; Y78-V91 HydrophobicContact CE2-CG1 3.87Å; Y78-V91 HydrophobicContact CG-CG1 4.48Å; Y78-V91 HydrophobicContact CG-CG2 4.19Å; Y78-L244 HydrophobicContact CE1-CD2 4.11Å; Y78-Y431 VanDerWaalsContact OH-CD2 3.22Å; Y78-Y431 WeakPolarHBondContact OH-CD2 3.48Å; Y78-Y431 WeakPolarHBondContact OH-CE2 3.43Å; Y78-Y431 PolarHBondContact OH-O 3.19Å; Y78-Y435 PolarHBondContact OH-N 3.23Å
79K97.6Very high93.8Very high80 Ų8039.4 Ų39.435%0.34820%0.203SC..EExtended strand (participates in β ladder)trans-103116176.3174.9177.7-179.1-174.60109.8T30 Y89 L90T30-K79 WeakPolarHBondContact O-CG 3.32Å; K79-Y89 CarbonylContact O-C 3.49Å; K79-Y89 VanDerWaalsContact O-CA 3.24Å; K79-Y89 WeakPolarHBondContact O-CA 3.49Å; K79-L90 HydrophobicContact CB-CB 4.39Å; K79-L90 PolarHBondContact N-O 3.28Å; K79-L90 PolarHBondContact O-N 3.45Å
80K94.8Very high93.9Very high52 Ų5241.2 Ų41.223%0.22621%0.213CC..EExtended strand (participates in β ladder)trans-62.6141.4174.1-163.8-178.5-176.3-168.10110.6S32 S88 Y89 E461S32-K80 VanDerWaalsContact OG-CB 3.25Å; S32-K80 WeakPolarHBondContact OG-CB 3.11Å; S32-K80 PolarHBondContact OG-N 2.92Å; K80-S88 WeakPolarHBondContact CA-O 3.44Å; K80-Y89 HydrophobicContact CB-CD1 4.16Å; K80-Y89 HydrophobicContact CB-CE1 3.93Å; K80-Y89 HydrophobicContact CG-CE1 4.2Å; K80-E461 IonicContact NZ-OE1 3.84Å; K80-E461 PolarHBondContact NZ-OE1 3.46Å
81L93.4Very high93.9Very high33 Ų3341.2 Ų41.217%0.17321%0.213CC..  trans-107.1102.8-178.7-64.1177.1000110.2Q83 K84 S88 L90 E245L81-Q83 VanDerWaalsContact C-N 3.27Å; L81-Q83 PolarHBondContact O-N 2.91Å; L81-K84 HydrophobicContact CB-CB 3.86Å; L81-K84 HydrophobicContact CB-CG 3.78Å; L81-K84 HydrophobicContact CD1-CG 4.06Å; L81-K84 PolarHBondContact O-N 3.44Å; L81-S88 PolarHBondContact N-O 3.4Å; L81-L90 HydrophobicContact CD1-CB 4.28Å; L81-L90 HydrophobicContact CD2-CB 3.92Å; L81-L90 HydrophobicContact CG-CB 4.26Å; L81-E245 HydrophobicContact CD1-CB 4.3Å; L81-E245 HydrophobicContact CD1-CG 4.21Å
82D86.2Confident93.9Very high149 Ų14942.7 Ų42.780%0.79722%0.22SC*.THydrogen-bonded Turntrans-67.5-25.1-174.2-57.2-41.5000113.8K84D82-K84 VanDerWaalsContact C-N 3.31Å
83Q83.6Confident93.9Very high196 Ų19642.7 Ų42.792%0.91622%0.219SC*.THydrogen-bonded Turntrans-91.59.9-178.8-62.9-178.2-1700113.4L81L81-Q83 VanDerWaalsContact C-N 3.27Å; L81-Q83 PolarHBondContact O-N 2.91Å
84K86.9Confident93.9Very high99 Ų9942.6 Ų42.643%0.4322%0.219SC..SBendtrans-121.1171.7-175.6-67.8-72.2-179.1139.80109.4L81 D82 E245L81-K84 HydrophobicContact CB-CB 3.86Å; L81-K84 HydrophobicContact CB-CG 3.78Å; L81-K84 HydrophobicContact CD1-CG 4.06Å; L81-K84 PolarHBondContact O-N 3.44Å; D82-K84 VanDerWaalsContact C-N 3.31Å; K84-E245 WeakPolarHBondContact CE-OE1 3.39Å; K84-E245 IonicContact NZ-OE1 2.74Å; K84-E245 PolarHBondContact NZ-OE1 3.33Å; K84-E245 IonicContact NZ-OE2 3.82Å
85P83.9Confident93.9Very high73 Ų7342.8 Ų42.847%0.47422%0.22SC..SBendtrans-50.6151.2172.9-2735.8000111.5S88P85-S88 VanDerWaalsContact O-CB 3.23Å; P85-S88 WeakPolarHBondContact O-CB 3.49Å; P85-S88 PolarHBondContact O-N 2.92Å; P85-S88 PolarHBondContact O-OG 3.4Å
86P84.4Confident93.8Very high105 Ų10542.4 Ų42.468%0.68222%0.218SC*.THydrogen-bonded Turntrans-47.9145.7174.2-26.734.4000111.8S88P86-S88 PolarHBondContact O-N 3.45Å
87D88.3Confident93.8Very high22 Ų2242.9 Ų42.912%0.11822%0.221CC..THydrogen-bonded Turntrans59.329.2-179.8-52.6-56.2000114.5Y89 H243 A442D87-Y89 HydrophobicContact CB-CE2 4.13Å; D87-Y89 VanDerWaalsContact O-CD2 3.27Å; D87-Y89 WeakPolarHBondContact O-CD2 3.47Å; D87-Y89 WeakPolarHBondContact O-CE2 3.46Å; D87-H243 PolarHBondContact O-N 3.49Å; D87-H243 VanDerWaalsContact O-N 3.14Å; D87-A442 HydrophobicContact CB-CB 4.02Å; D87-A442 WeakPolarHBondContact OD2-CB 3.37Å
88S93.4Very high93.7Very high3 Ų342.8 Ų42.82%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-86.9131.5165-58.90000111.2K80 L81 P85 P86 H243K80-S88 WeakPolarHBondContact CA-O 3.44Å; L81-S88 PolarHBondContact N-O 3.4Å; P85-S88 VanDerWaalsContact O-CB 3.23Å; P85-S88 WeakPolarHBondContact O-CB 3.49Å; P85-S88 PolarHBondContact O-N 2.92Å; P85-S88 PolarHBondContact O-OG 3.4Å; P86-S88 PolarHBondContact O-N 3.45Å; S88-H243 CarbonylContact C-O 3.59Å; S88-H243 VanDerWaalsContact CA-O 3.29Å; S88-H243 WeakPolarHBondContact CA-O 3.46Å
89Y96.4Very high93.7Very high0 Ų044.7 Ų44.70%023%0.23CC..EExtended strand (participates in β ladder)trans-129.6134.9-178.3-61.9-92.8000112F33 Y78 K79 K80 D87 V242 H243 L244 E245 A438F33-Y89 HydrophobicContact CD1-CE1 4.44Å; F33-Y89 HydrophobicContact CE1-CD1 4.24Å; F33-Y89 AromaticContact CE1-CE1 3.76Å; F33-Y89 HydrophobicContact CE1-CE1 3.76Å; Y78-Y89 HydrophobicContact CD1-CD1 4.32Å; Y78-Y89 HydrophobicContact CD1-CG 4.13Å; K79-Y89 CarbonylContact O-C 3.49Å; K79-Y89 VanDerWaalsContact O-CA 3.24Å; K79-Y89 WeakPolarHBondContact O-CA 3.49Å; K80-Y89 HydrophobicContact CB-CD1 4.16Å; K80-Y89 HydrophobicContact CB-CE1 3.93Å; K80-Y89 HydrophobicContact CG-CE1 4.2Å; D87-Y89 HydrophobicContact CB-CE2 4.13Å; D87-Y89 VanDerWaalsContact O-CD2 3.27Å; D87-Y89 WeakPolarHBondContact O-CD2 3.47Å; D87-Y89 WeakPolarHBondContact O-CE2 3.46Å; Y89-V242 HydrophobicContact CD2-CG1 4.38Å; Y89-H243 PolarHBondContact N-O 3.03Å; Y89-L244 WeakPolarHBondContact O-CA 3.31Å; Y89-E245 PolarHBondContact O-N 3.15Å; Y89-A438 HydrophobicContact CD2-CB 4.37Å; Y89-A438 HydrophobicContact CE2-CB 3.98Å
90L97.4Very high93.6Very high37 Ų3741.2 Ų41.219%0.19422%0.216CC..EExtended strand (participates in β ladder)trans-81.9122.2158.4175.866.4000108.4K79 L81 E245K79-L90 HydrophobicContact CB-CB 4.39Å; K79-L90 PolarHBondContact N-O 3.28Å; K79-L90 PolarHBondContact O-N 3.45Å; L81-L90 HydrophobicContact CD1-CB 4.28Å; L81-L90 HydrophobicContact CD2-CB 3.92Å; L81-L90 HydrophobicContact CG-CB 4.26Å; L90-E245 WeakPolarHBondContact CA-O 3.35Å; L90-E245 HydrophobicContact CD1-CB 4.45Å
91V98.1Very high93.6Very high0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-113.6131.2-177-170.30000110.5C77 Y78 V93 L244 E245 F246 Y431C77-V91 WeakPolarHBondContact O-CA 3.43Å; Y78-V91 HydrophobicContact CD1-CG1 4.46Å; Y78-V91 HydrophobicContact CD1-CG2 3.57Å; Y78-V91 HydrophobicContact CD2-CG1 4.21Å; Y78-V91 HydrophobicContact CE1-CB 4.5Å; Y78-V91 HydrophobicContact CE1-CG1 4.14Å; Y78-V91 HydrophobicContact CE1-CG2 3.48Å; Y78-V91 VanDerWaalsContact CE1-CG2 3.48Å; Y78-V91 HydrophobicContact CE2-CG1 3.87Å; Y78-V91 HydrophobicContact CG-CG1 4.48Å; Y78-V91 HydrophobicContact CG-CG2 4.19Å; V91-V93 HydrophobicContact CG1-CG2 3.86Å; V91-L244 HydrophobicContact CG2-CB 4.49Å; V91-L244 HydrophobicContact CG2-CD1 4.5Å; V91-L244 HydrophobicContact CG2-CD2 3.84Å; V91-L244 HydrophobicContact CG2-CG 4.49Å; V91-E245 PolarHBondContact N-O 3.07Å; V91-F246 HydrophobicContact CB-CD1 4.07Å; V91-F246 HydrophobicContact CB-CE1 3.8Å; V91-F246 HydrophobicContact CG1-CE1 4.21Å; V91-F246 WeakPolarHBondContact O-CD1 2.97Å; V91-Y431 HydrophobicContact CG1-CD2 4.08Å
92Q98.1Very high93.6Very high32 Ų3243.8 Ų43.815%0.1524%0.236CC..EExtended strand (participates in β ladder)trans-125124173-64.1174.312300108.6A27 A76 C77 Y94 C247A27-Q92 HydrophobicContact CB-CB 4.46Å; A76-Q92 WeakPolarHBondContact CA-O 3.32Å; C77-Q92 PolarHBondContact N-O 2.73Å; C77-Q92 PolarHBondContact O-N 2.99Å; C77-Q92 VanDerWaalsContact O-N 3.09Å; Q92-Y94 HydrophobicContact CB-CE2 3.93Å; Q92-C247 PolarHBondContact OE1-SG 2.92Å; Q92-C247 VanDerWaalsContact OE1-SG 3.33Å
93V98.3Very high94Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-118127.1-172.1-170.80000109.1V7 V9 I10 I75 A76 V91 G427 Y431V7-V93 HydrophobicContact CG1-CG2 4.23Å; V9-V93 HydrophobicContact CG1-CG1 4.18Å; V9-V93 HydrophobicContact CG2-CB 4.49Å; V9-V93 HydrophobicContact CG2-CG1 4.11Å; I10-V93 PolarHBondContact N-O 3.31Å; I75-V93 CarbonylContact O-C 3.58Å; I75-V93 WeakPolarHBondContact O-CA 3Å; A76-V93 HydrophobicContact CB-CG2 4.36Å; V91-V93 HydrophobicContact CG1-CG2 3.86Å; V93-G427 WeakPolarHBondContact CG1-O 3.41Å; V93-Y431 HydrophobicContact CG2-CD2 4.1Å; V93-Y431 HydrophobicContact CG2-CG 4.32Å
94Y98.1Very high94.6Very high4 Ų438.8 Ų38.82%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-121.8135.8179.3-56.7-90.1000109.9I10 V12 M24 A27 G74 I75 Q92I10-Y94 HydrophobicContact CB-CD1 3.88Å; I10-Y94 HydrophobicContact CB-CE1 4.28Å; I10-Y94 HydrophobicContact CD1-CD1 3.73Å; I10-Y94 HydrophobicContact CD1-CE1 3.29Å; I10-Y94 HydrophobicContact CG1-CD1 4.42Å; I10-Y94 HydrophobicContact CG1-CE1 4.4Å; I10-Y94 HydrophobicContact CG2-CD1 4.17Å; I10-Y94 HydrophobicContact CG2-CE1 4.43Å; I10-Y94 CarbonylContact O-C 3.52Å; I10-Y94 WeakPolarHBondContact O-CA 3.37Å; V12-Y94 HydrophobicContact CG2-CD1 3.98Å; M24-Y94 HydrophobicContact CG-CD1 3.65Å; M24-Y94 HydrophobicContact CG-CD2 4.45Å; M24-Y94 HydrophobicContact CG-CE1 3.47Å; M24-Y94 VanDerWaalsContact CG-CE1 3.47Å; M24-Y94 HydrophobicContact CG-CE2 4.31Å; M24-Y94 HydrophobicContact CG-CG 4.15Å; M24-Y94 HydrophobicContact SD-CD1 4.18Å; A27-Y94 HydrophobicContact CB-CE2 3.9Å; G74-Y94 WeakPolarHBondContact CA-O 3.13Å; I75-Y94 PolarHBondContact N-O 3.3Å; I75-Y94 PolarHBondContact O-N 2.96Å; Q92-Y94 HydrophobicContact CB-CE2 3.93Å
95N97.8Very high95.1Very high4 Ų438.2 Ų38.22%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-115.3101.8169.8-174.192.1000109V9 I10 V12 S72 R425 G427V9-N95 HydrophobicContact CG1-CB 3.82Å; I10-N95 PolarHBondContact O-N 2.58Å; V12-N95 PolarHBondContact N-O 3.49Å; S72-N95 PolarHBondContact OG-ND2 3.34Å; S72-N95 VanDerWaalsContact OG-ND2 3.16Å; S72-N95 PolarHBondContact OG-OD1 2.82Å; N95-R425 VanDerWaalsContact CG-NH2 3.31Å; N95-R425 PolarHBondContact ND2-NH2 3.3Å; N95-R425 VanDerWaalsContact ND2-NH2 3.15Å; N95-G427 PolarHBondContact OD1-N 3.24Å
96L98.1Very high95.6Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-88.6115.3-179.2-71.772.1000109.3V12 F17 M24 S72 L73 I75 L98 I129 I147 L150V12-L96 HydrophobicContact CB-CD1 4.45Å; V12-L96 HydrophobicContact CB-CG 4Å; V12-L96 HydrophobicContact CG1-CG 4.41Å; V12-L96 HydrophobicContact CG2-CD1 4.33Å; V12-L96 HydrophobicContact CG2-CG 4.41Å; V12-L96 WeakPolarHBondContact O-CA 3.34Å; F17-L96 HydrophobicContact CE2-CD2 3.96Å; M24-L96 HydrophobicContact SD-CD1 4.46Å; S72-L96 CarbonylContact C-O 3.56Å; S72-L96 VanDerWaalsContact CA-O 3.24Å; S72-L96 WeakPolarHBondContact CA-O 3.39Å; S72-L96 PolarHBondContact OG-O 3.14Å; L73-L96 HydrophobicContact CB-CB 4.38Å; L73-L96 PolarHBondContact N-O 3.29Å; L73-L96 PolarHBondContact O-N 2.8Å; I75-L96 HydrophobicContact CD1-CD1 3.94Å; I75-L96 HydrophobicContact CD1-CD2 4.41Å; I75-L96 HydrophobicContact CG1-CD1 4.17Å; L96-L98 HydrophobicContact CB-CD2 4.26Å; L96-L98 HydrophobicContact CB-CG 4.5Å; L96-I129 HydrophobicContact CB-CD1 4.24Å; L96-I129 HydrophobicContact CD2-CD1 4.4Å; L96-I129 HydrophobicContact CG-CD1 4.39Å; L96-I147 HydrophobicContact CD2-CD1 3.49Å; L96-I147 VanDerWaalsContact CD2-CD1 3.49Å; L96-L150 HydrophobicContact CD2-CD2 3.69Å
97T97.4Very high96.1Very high10 Ų1034.8 Ų34.86%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-81.6123.9171.1-58.70000109.5V12 Q124 I129V12-T97 PolarHBondContact O-N 3.24Å; T97-Q124 HydrophobicContact CG2-CB 3.86Å; T97-Q124 HydrophobicContact CG2-CG 3.85Å; T97-I129 PolarHBondContact O-N 3.27Å
98L97.8Very high96.3Very high0 Ų038.9 Ų38.90%021%0.205CC..EExtended strand (participates in β ladder)trans-119.6150.7-168.7-59.5169.3000111.3I70 L71 L73 L96 Q124 I129 Y131 I147 F177I70-L98 HydrophobicContact CB-CD1 4.24Å; I70-L98 HydrophobicContact CG2-CD1 3.6Å; L71-L98 PolarHBondContact O-N 3.28Å; L73-L98 HydrophobicContact CB-CD1 3.69Å; L96-L98 HydrophobicContact CB-CD2 4.26Å; L96-L98 HydrophobicContact CB-CG 4.5Å; L98-Q124 WeakPolarHBondContact O-CG 2.96Å; L98-Q124 PolarHBondContact O-NE2 2.68Å; L98-I129 HydrophobicContact CD2-CB 4.06Å; L98-I129 HydrophobicContact CD2-CD1 4.37Å; L98-Y131 HydrophobicContact CB-CD1 4.1Å; L98-Y131 HydrophobicContact CB-CE1 3.77Å; L98-I147 HydrophobicContact CD2-CB 4.43Å; L98-I147 HydrophobicContact CD2-CD1 4.2Å; L98-I147 HydrophobicContact CD2-CG1 3.94Å; L98-F177 HydrophobicContact CD1-CE1 4.5Å; L98-F177 HydrophobicContact CD1-CE2 4.47Å; L98-F177 HydrophobicContact CD1-CZ 3.65Å
99L97.2Very high96.2Very high39 Ų3946.5 Ų46.520%0.20424%0.24CC..EExtended strand (participates in β ladder)trans-134.1116.6175.8-175.962.7000110.2S101 Y125 I129 P130 Y131L99-S101 PolarHBondContact O-N 2.83Å; L99-Y125 HydrophobicContact CD1-CD1 3.75Å; L99-Y125 HydrophobicContact CD1-CE1 3.93Å; L99-I129 PolarHBondContact N-O 3.29Å; L99-P130 CarbonylContact O-C 3.52Å; L99-P130 VanDerWaalsContact O-CA 3.28Å; L99-P130 WeakPolarHBondContact O-CA 3.32Å; L99-Y131 WeakPolarHBondContact O-CD1 3.49Å; L99-Y131 PolarHBondContact O-N 3Å
100C96.5Very high95.9Very high7 Ų747.8 Ų47.85%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-70.6125.8174.6175.80000109.6E102 Y104 Y131 K133C100-E102 VanDerWaalsContact C-N 3.29Å; C100-E102 PolarHBondContact SG-N 2.63Å; C100-E102 VanDerWaalsContact SG-N 3.44Å; C100-E102 PolarHBondContact SG-O 2.78Å; C100-Y104 HydrophobicContact CB-CD1 3.7Å; C100-Y104 HydrophobicContact CB-CE1 3.91Å; C100-Y131 HydrophobicContact CB-CE1 4.05Å; C100-Y131 HydrophobicContact CB-CE2 4.25Å; C100-K133 WeakPolarHBondContact SG-CE 3.31Å
101S94.4Very high95.6Very high77 Ų7747.4 Ų47.454%0.53825%0.248SC..SBendtrans-82.1-6.6179.7-54.90000113.9L99 Y131L99-S101 PolarHBondContact O-N 2.83Å; S101-Y131 PolarHBondContact N-O 3.35Å; S101-Y131 PolarHBondContact OG-O 2.75Å
102E93.3Very high95.2Very high62 Ų6253.1 Ų53.129%0.2928%0.275SS..SBendtrans-103.9160.8176.1-61.7173.7-176.400110.3C100 Y104 K137C100-E102 VanDerWaalsContact C-N 3.29Å; C100-E102 PolarHBondContact SG-N 2.63Å; C100-E102 VanDerWaalsContact SG-N 3.44Å; C100-E102 PolarHBondContact SG-O 2.78Å; E102-Y104 WeakPolarHBondContact O-CD1 3.49Å; E102-Y104 PolarHBondContact O-N 2.8Å; E102-K137 WeakPolarHBondContact OE1-CE 3.46Å; E102-K137 IonicContact OE1-NZ 2.75Å; E102-K137 PolarHBondContact OE1-NZ 2.97Å
103E95.1Very high94.8Very high195 Ų19555.7 Ų55.791%0.91129%0.286SS*.  trans-57.7138173.7-64.8177.8177.600111.5
104Y96.4Very high94.5Very high45 Ų4556 Ų5618%0.17629%0.287CS..  trans-147154.9177.364.1-90.5000112.2S67 S69 L71 C100 E102 I106 Y125S67-Y104 WeakPolarHBondContact O-CA 3.28Å; S69-Y104 WeakPolarHBondContact OG-CD2 3.34Å; S69-Y104 WeakPolarHBondContact OG-CE2 3.41Å; L71-Y104 HydrophobicContact CD2-CE2 4.43Å; C100-Y104 HydrophobicContact CB-CD1 3.7Å; C100-Y104 HydrophobicContact CB-CE1 3.91Å; E102-Y104 WeakPolarHBondContact O-CD1 3.49Å; E102-Y104 PolarHBondContact O-N 2.8Å; Y104-I106 HydrophobicContact CD2-CD1 4.44Å; Y104-I106 HydrophobicContact CD2-CG1 3.81Å; Y104-I106 HydrophobicContact CE2-CD1 3.65Å; Y104-I106 HydrophobicContact CE2-CG1 3.45Å; Y104-I106 VanDerWaalsContact CE2-CG1 3.45Å; Y104-Y125 WeakPolarHBondContact OH-CE1 3.44Å; Y104-Y125 PolarHBondContact OH-OH 3.22Å
105I96.7Very high94.1Very high87 Ų8759.8 Ų59.845%0.44631%0.311SS..  trans-84.6137.8177.7-61.1178000109.7S41 S67 R68S41-I105 PolarHBondContact OG-O 3.44Å; S67-I105 PolarHBondContact O-N 3.17Å; R68-I105 HydrophobicContact CG-CB 4.32Å
106I94.9Very high93.6Very high68 Ų6864.8 Ų64.835%0.34933%0.334SS..  trans-114.3131.7172.3-63.8-179.5000108.7Y104 V111 Y125Y104-I106 HydrophobicContact CD2-CD1 4.44Å; Y104-I106 HydrophobicContact CD2-CG1 3.81Å; Y104-I106 HydrophobicContact CE2-CD1 3.65Å; Y104-I106 HydrophobicContact CE2-CG1 3.45Å; Y104-I106 VanDerWaalsContact CE2-CG1 3.45Å; I106-V111 HydrophobicContact CG2-CB 4.25Å; I106-V111 HydrophobicContact CG2-CG2 3.21Å; I106-Y125 VanDerWaalsContact CD1-OH 3.32Å; I106-Y125 WeakPolarHBondContact CD1-OH 3.34Å
107E94.9Very high92.9Very high39 Ų3966.6 Ų66.618%0.18234%0.342CS..  trans-95.3118.8173.4-71.9178-179.800110S41 G42 L43 G44 R68 Q109 S110 V111S41-E107 PolarHBondContact O-N 3.3Å; G42-E107 VanDerWaalsContact CA-OE2 3.27Å; G42-E107 WeakPolarHBondContact CA-OE2 3.09Å; L43-E107 PolarHBondContact N-OE2 3.23Å; G44-E107 WeakPolarHBondContact CA-OE1 3.34Å; G44-E107 PolarHBondContact N-OE1 2.74Å; G44-E107 PolarHBondContact N-OE2 2.84Å; R68-E107 IonicContact CZ-OE1 3.47Å; R68-E107 IonicContact NE-OE1 3.07Å; R68-E107 PolarHBondContact NE-OE1 2.74Å; R68-E107 IonicContact NH2-OE1 3.05Å; R68-E107 PolarHBondContact NH2-OE1 2.83Å; E107-Q109 VanDerWaalsContact C-N 3.26Å; E107-Q109 PolarHBondContact O-N 3.28Å; E107-S110 PolarHBondContact O-N 3.35Å; E107-S110 VanDerWaalsContact O-N 3.08Å; E107-V111 PolarHBondContact O-N 2.91Å
108P92.9Very high92.4Very high107 Ų10768.6 Ų68.670%0.69537%0.365SS*.Hα-helixtrans-55.9-38.1-176.5-29.235.7000113.9V111 Q112P108-V111 PolarHBondContact O-N 2.94Å; P108-Q112 VanDerWaalsContact O-CB 3.24Å; P108-Q112 WeakPolarHBondContact O-CB 3.29Å; P108-Q112 PolarHBondContact O-N 3.01Å
109Q89.6Confident92Very high164 Ų16470.3 Ų70.377%0.76637%0.373SS*.Hα-helixtrans-64.9-41.8178.3-67.3-180-0.800112E107 Q112 F113E107-Q109 VanDerWaalsContact C-N 3.26Å; E107-Q109 PolarHBondContact O-N 3.28Å; Q109-Q112 PolarHBondContact O-N 2.96Å; Q109-F113 WeakPolarHBondContact O-CB 3.49Å; Q109-F113 PolarHBondContact O-N 3.47Å
110S91.1Very high91.8Very high26 Ų2672.3 Ų72.318%0.18238%0.384CS..Hα-helixtrans-66-45.2177.1-58.70000111.3E107 F113 L114E107-S110 PolarHBondContact O-N 3.35Å; E107-S110 VanDerWaalsContact O-N 3.08Å; S110-F113 WeakPolarHBondContact O-CB 3.43Å; S110-F113 PolarHBondContact O-N 3.19Å; S110-L114 VanDerWaalsContact O-CG 3.31Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.35Å
111V89.9Confident91.6Very high30 Ų3073.4 Ų73.418%0.18239%0.388CS..Hα-helixtrans-64.8-42176.6167.50000112I106 E107 P108 F113 L114 V115 F121I106-V111 HydrophobicContact CG2-CB 4.25Å; I106-V111 HydrophobicContact CG2-CG2 3.21Å; E107-V111 PolarHBondContact O-N 2.91Å; P108-V111 PolarHBondContact O-N 2.94Å; V111-F113 VanDerWaalsContact C-N 3.29Å; V111-F113 PolarHBondContact O-N 3.27Å; V111-L114 PolarHBondContact O-N 2.91Å; V111-V115 HydrophobicContact CG1-CG2 4.32Å; V111-V115 WeakPolarHBondContact O-CG2 3.46Å; V111-V115 PolarHBondContact O-N 3.04Å; V111-F121 HydrophobicContact CB-CZ 4.11Å; V111-F121 HydrophobicContact CG1-CD2 4.37Å; V111-F121 HydrophobicContact CG1-CE1 4.29Å; V111-F121 HydrophobicContact CG1-CE2 3.72Å; V111-F121 HydrophobicContact CG1-CZ 3.67Å; V111-F121 HydrophobicContact CG2-CE1 4.1Å; V111-F121 HydrophobicContact CG2-CZ 3.79Å
112Q90.9Very high91.6Very high120 Ų12076.5 Ų76.556%0.56140%0.398SS*.Hα-helixtrans-59.7-42.3175.6-175.3177.936.200111.3P108 Q109 V115 Q116P108-Q112 VanDerWaalsContact O-CB 3.24Å; P108-Q112 WeakPolarHBondContact O-CB 3.29Å; P108-Q112 PolarHBondContact O-N 3.01Å; Q109-Q112 PolarHBondContact O-N 2.96Å; Q112-V115 PolarHBondContact O-N 2.98Å; Q112-Q116 WeakPolarHBondContact O-CB 3.34Å; Q112-Q116 VanDerWaalsContact O-CG 3.24Å; Q112-Q116 WeakPolarHBondContact O-CG 2.92Å; Q112-Q116 PolarHBondContact O-N 3.11Å
113F89.3Confident91.6Very high86 Ų8677.1 Ų77.138%0.37740%0.4SS..Hα-helixtrans-59.5-48.1173.8176.2-89.3000111.3Q109 S110 V111 V115 Q116 H117Q109-F113 WeakPolarHBondContact O-CB 3.49Å; Q109-F113 PolarHBondContact O-N 3.47Å; S110-F113 WeakPolarHBondContact O-CB 3.43Å; S110-F113 PolarHBondContact O-N 3.19Å; V111-F113 VanDerWaalsContact C-N 3.29Å; V111-F113 PolarHBondContact O-N 3.27Å; F113-V115 PolarHBondContact O-N 3.43Å; F113-Q116 WeakPolarHBondContact O-CB 3.22Å; F113-Q116 PolarHBondContact O-N 2.93Å; F113-H117 AromaticContact CD1-ND1 3.84Å; F113-H117 AromaticContact CD2-CE1 3.49Å; F113-H117 VanDerWaalsContact CD2-CE1 3.49Å; F113-H117 WeakPolarHBondContact CD2-CE1 3.47Å; F113-H117 AromaticContact CD2-ND1 3.77Å; F113-H117 AromaticContact CE1-ND1 3.68Å; F113-H117 AromaticContact CE2-CE1 3.14Å; F113-H117 WeakPolarHBondContact CE2-CE1 3.24Å; F113-H117 AromaticContact CE2-ND1 3.63Å; F113-H117 AromaticContact CG-ND1 3.87Å; F113-H117 AromaticContact CZ-CE1 3.43Å; F113-H117 VanDerWaalsContact CZ-CE1 3.43Å; F113-H117 WeakPolarHBondContact CZ-CE1 3.39Å; F113-H117 AromaticContact CZ-ND1 3.57Å; F113-H117 PolarHBondContact O-N 2.9Å; F113-H117 PolarHBondContact O-ND1 3.42Å
114L91.4Very high91.5Very high6 Ų667.8 Ų67.83%0.03136%0.356CS..Hα-helixtrans-61.3-44178.9-69.6171.3000112.5E39 L71 S110 V111 Q116 H117 G118 F119 F121E39-L114 HydrophobicContact CB-CD2 4.13Å; E39-L114 HydrophobicContact CG-CD2 4.17Å; E39-L114 WeakPolarHBondContact OE2-CD2 3.26Å; L71-L114 HydrophobicContact CD1-CD1 3.51Å; S110-L114 VanDerWaalsContact O-CG 3.31Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.35Å; V111-L114 PolarHBondContact O-N 2.91Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 PolarHBondContact O-N 3.24Å; L114-H117 CarbonylContact O-C 3.57Å; L114-H117 PolarHBondContact O-N 2.92Å; L114-H117 VanDerWaalsContact O-N 3.12Å; L114-G118 PolarHBondContact O-N 3.04Å; L114-F119 HydrophobicContact CB-CB 3.75Å; L114-F119 HydrophobicContact CB-CG 4.22Å; L114-F119 HydrophobicContact CD2-CD2 4.44Å; L114-F119 VanDerWaalsContact O-CB 3.25Å; L114-F119 WeakPolarHBondContact O-CB 3.41Å; L114-F119 PolarHBondContact O-N 2.93Å; L114-F121 HydrophobicContact CB-CE2 4.08Å; L114-F121 HydrophobicContact CB-CZ 4.1Å; L114-F121 HydrophobicContact CD1-CZ 3.98Å
115V89.9Confident91.5Very high83 Ų8371.2 Ų71.250%0.50337%0.37SS..Hα-helixtrans-60.6-43.2175.8171.80000111.1V111 Q112 F113 H117 G118 F121V111-V115 HydrophobicContact CG1-CG2 4.32Å; V111-V115 WeakPolarHBondContact O-CG2 3.46Å; V111-V115 PolarHBondContact O-N 3.04Å; Q112-V115 PolarHBondContact O-N 2.98Å; F113-V115 PolarHBondContact O-N 3.43Å; V115-H117 PolarHBondContact O-N 3.02Å; V115-G118 PolarHBondContact O-N 3.5Å; V115-G118 VanDerWaalsContact O-N 3.08Å; V115-F121 HydrophobicContact CG2-CD2 3.7Å; V115-F121 HydrophobicContact CG2-CE2 3.61Å
116Q87.1Confident91.4Very high110 Ų11069.9 Ų69.951%0.51438%0.377SS..Hα-helixtrans-62-25.8177.8-75173.34.600112.9Q112 F113 L114Q112-Q116 WeakPolarHBondContact O-CB 3.34Å; Q112-Q116 VanDerWaalsContact O-CG 3.24Å; Q112-Q116 WeakPolarHBondContact O-CG 2.92Å; Q112-Q116 PolarHBondContact O-N 3.11Å; F113-Q116 WeakPolarHBondContact O-CB 3.22Å; F113-Q116 PolarHBondContact O-N 2.93Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 PolarHBondContact O-N 3.24Å
117H83.9Confident91.4Very high37 Ų3768.7 Ų68.717%0.17138%0.375CS..THydrogen-bonded Turntrans-100.414.5177.4-61.794.2000113.6F113 L114 V115 H424F113-H117 AromaticContact CD1-ND1 3.84Å; F113-H117 AromaticContact CD2-CE1 3.49Å; F113-H117 VanDerWaalsContact CD2-CE1 3.49Å; F113-H117 WeakPolarHBondContact CD2-CE1 3.47Å; F113-H117 AromaticContact CD2-ND1 3.77Å; F113-H117 AromaticContact CE1-ND1 3.68Å; F113-H117 AromaticContact CE2-CE1 3.14Å; F113-H117 WeakPolarHBondContact CE2-CE1 3.24Å; F113-H117 AromaticContact CE2-ND1 3.63Å; F113-H117 AromaticContact CG-ND1 3.87Å; F113-H117 AromaticContact CZ-CE1 3.43Å; F113-H117 VanDerWaalsContact CZ-CE1 3.43Å; F113-H117 WeakPolarHBondContact CZ-CE1 3.39Å; F113-H117 AromaticContact CZ-ND1 3.57Å; F113-H117 PolarHBondContact O-N 2.9Å; F113-H117 PolarHBondContact O-ND1 3.42Å; L114-H117 CarbonylContact O-C 3.57Å; L114-H117 PolarHBondContact O-N 2.92Å; L114-H117 VanDerWaalsContact O-N 3.12Å; V115-H117 PolarHBondContact O-N 3.02Å; H117-H424 HydrophobicContact CB-CB 4Å; H117-H424 AromaticContact CD2-CD2 3.3Å; H117-H424 PolarHBondContact CD2-CD2 2.76Å; H117-H424 AromaticContact CG-CD2 3.77Å; H117-H424 AromaticContact NE2-CD2 3.69Å
118G86.6Confident91.5Very high53 Ų5367.2 Ų67.255%0.54637%0.37SS..THydrogen-bonded Turntrans88.714.8169.300000115.3L114 V115 D120L114-G118 PolarHBondContact O-N 3.04Å; V115-G118 PolarHBondContact O-N 3.5Å; V115-G118 VanDerWaalsContact O-N 3.08Å; G118-D120 PolarHBondContact O-N 2.73Å
119F91Very high91.7Very high36 Ų3662.3 Ų62.316%0.15834%0.338CS..  trans-66.7125.5172.7-165.5-80.7000111.1E39 L71 L114 F121 Q124E39-F119 HydrophobicContact CB-CE2 4.31Å; L71-F119 HydrophobicContact CB-CE1 4.49Å; L71-F119 HydrophobicContact CB-CE2 4.22Å; L71-F119 HydrophobicContact CB-CZ 3.73Å; L114-F119 HydrophobicContact CB-CB 3.75Å; L114-F119 HydrophobicContact CB-CG 4.22Å; L114-F119 HydrophobicContact CD2-CD2 4.44Å; L114-F119 VanDerWaalsContact O-CB 3.25Å; L114-F119 WeakPolarHBondContact O-CB 3.41Å; L114-F119 PolarHBondContact O-N 2.93Å; F119-F121 HydrophobicContact CB-CE2 4.3Å; F119-F121 HydrophobicContact CD1-CD1 4.14Å; F119-F121 AromaticContact CD1-CD2 3.72Å; F119-F121 HydrophobicContact CD1-CD2 3.72Å; F119-F121 HydrophobicContact CD1-CE1 4.02Å; F119-F121 AromaticContact CD1-CE2 3.55Å; F119-F121 HydrophobicContact CD1-CE2 3.55Å; F119-F121 HydrophobicContact CD1-CG 4Å; F119-F121 AromaticContact CD1-CZ 3.71Å; F119-F121 HydrophobicContact CD1-CZ 3.71Å; F119-F121 HydrophobicContact CE1-CD1 4Å; F119-F121 HydrophobicContact CE1-CD2 4.39Å; F119-F121 AromaticContact CE1-CE1 3.94Å; F119-F121 HydrophobicContact CE1-CE1 3.94Å; F119-F121 HydrophobicContact CE1-CE2 4.3Å; F119-F121 HydrophobicContact CE1-CG 4.23Å; F119-F121 HydrophobicContact CE1-CZ 4.09Å; F119-F121 HydrophobicContact CG-CE2 4.25Å; F119-F121 HydrophobicContact CG-CZ 4.45Å; F119-F121 PolarHBondContact O-N 3.16Å; F119-Q124 HydrophobicContact CE1-CB 4.04Å; F119-Q124 HydrophobicContact CE1-CG 4.4Å; F119-Q124 HydrophobicContact CZ-CB 4.45Å; F119-Q124 HydrophobicContact CZ-CG 4.46Å
120D91.6Very high92Very high81 Ų8158.1 Ų58.143%0.43333%0.325SS..  trans-95.996.6-179.6-171.5-15.1000111.6G118 N122 K123 Q124G118-D120 PolarHBondContact O-N 2.73Å; D120-N122 VanDerWaalsContact C-N 3.31Å; D120-N122 PolarHBondContact O-N 3.45Å; D120-N122 WeakPolarHBondContact OD1-CA 3.34Å; D120-N122 VanDerWaalsContact OD1-CB 3.31Å; D120-N122 WeakPolarHBondContact OD1-CB 3.47Å; D120-N122 PolarHBondContact OD1-N 3.38Å; D120-K123 HydrophobicContact CB-CB 3.87Å; D120-K123 PolarHBondContact O-N 3.48Å; D120-K123 PolarHBondContact OD1-N 2.89Å; D120-Q124 PolarHBondContact O-N 2.77Å
121F93.6Very high92.2Very high30 Ų3057.2 Ų57.213%0.13232%0.318CS..Hα-helixtrans-67.3-28.5175.7-74.3-84000113L71 V111 L114 V115 F119 K123 Q124 Y125L71-F121 HydrophobicContact CD1-CE1 3.85Å; L71-F121 HydrophobicContact CD1-CZ 4.12Å; V111-F121 HydrophobicContact CB-CZ 4.11Å; V111-F121 HydrophobicContact CG1-CD2 4.37Å; V111-F121 HydrophobicContact CG1-CE1 4.29Å; V111-F121 HydrophobicContact CG1-CE2 3.72Å; V111-F121 HydrophobicContact CG1-CZ 3.67Å; V111-F121 HydrophobicContact CG2-CE1 4.1Å; V111-F121 HydrophobicContact CG2-CZ 3.79Å; L114-F121 HydrophobicContact CB-CE2 4.08Å; L114-F121 HydrophobicContact CB-CZ 4.1Å; L114-F121 HydrophobicContact CD1-CZ 3.98Å; V115-F121 HydrophobicContact CG2-CD2 3.7Å; V115-F121 HydrophobicContact CG2-CE2 3.61Å; F119-F121 HydrophobicContact CB-CE2 4.3Å; F119-F121 HydrophobicContact CD1-CD1 4.14Å; F119-F121 AromaticContact CD1-CD2 3.72Å; F119-F121 HydrophobicContact CD1-CD2 3.72Å; F119-F121 HydrophobicContact CD1-CE1 4.02Å; F119-F121 AromaticContact CD1-CE2 3.55Å; F119-F121 HydrophobicContact CD1-CE2 3.55Å; F119-F121 HydrophobicContact CD1-CG 4Å; F119-F121 AromaticContact CD1-CZ 3.71Å; F119-F121 HydrophobicContact CD1-CZ 3.71Å; F119-F121 HydrophobicContact CE1-CD1 4Å; F119-F121 HydrophobicContact CE1-CD2 4.39Å; F119-F121 AromaticContact CE1-CE1 3.94Å; F119-F121 HydrophobicContact CE1-CE1 3.94Å; F119-F121 HydrophobicContact CE1-CE2 4.3Å; F119-F121 HydrophobicContact CE1-CG 4.23Å; F119-F121 HydrophobicContact CE1-CZ 4.09Å; F119-F121 HydrophobicContact CG-CE2 4.25Å; F119-F121 HydrophobicContact CG-CZ 4.45Å; F119-F121 PolarHBondContact O-N 3.16Å; F121-K123 VanDerWaalsContact C-N 3.34Å; F121-Q124 VanDerWaalsContact CD1-OE1 3.31Å; F121-Q124 PolarHBondContact O-N 2.87Å; F121-Y125 HydrophobicContact CB-CD2 4.36Å; F121-Y125 HydrophobicContact CB-CE2 4.34Å; F121-Y125 HydrophobicContact CD1-CE2 4.12Å; F121-Y125 WeakPolarHBondContact O-CD2 3.42Å; F121-Y125 PolarHBondContact O-N 3.08Å
122N94.2Very high92.4Very high142 Ų14258 Ų5876%0.75932%0.324SS*.Hα-helixtrans-66.1-43.3176.1-63.4-45.8000110D120 Q124 G126D120-N122 VanDerWaalsContact C-N 3.31Å; D120-N122 PolarHBondContact O-N 3.45Å; D120-N122 WeakPolarHBondContact OD1-CA 3.34Å; D120-N122 VanDerWaalsContact OD1-CB 3.31Å; D120-N122 WeakPolarHBondContact OD1-CB 3.47Å; D120-N122 PolarHBondContact OD1-N 3.38Å; N122-Q124 VanDerWaalsContact C-N 3.31Å; N122-Q124 PolarHBondContact O-N 3Å; N122-G126 PolarHBondContact O-N 3.35Å
123K92Very high92.5Very high74 Ų7452.6 Ų52.632%0.32230%0.298SS..Hα-helixtrans-62.3-39.7173.3-162-175-156.3-166.10111.6D11 H13 D120 F121 C127D11-K123 IonicContact OD2-NZ 3.51Å; D11-K123 PolarHBondContact OD2-NZ 2.83Å; H13-K123 VanDerWaalsContact CE1-CE 3.5Å; H13-K123 WeakPolarHBondContact CE1-CE 3.32Å; H13-K123 PolarHBondContact CE1-NZ 3.26Å; H13-K123 WeakPolarHBondContact NE2-CE 3.36Å; H13-K123 PolarHBondContact NE2-NZ 3.29Å; D120-K123 HydrophobicContact CB-CB 3.87Å; D120-K123 PolarHBondContact O-N 3.48Å; D120-K123 PolarHBondContact OD1-N 2.89Å; F121-K123 VanDerWaalsContact C-N 3.34Å; K123-C127 WeakPolarHBondContact O-CA 3.13Å; K123-C127 WeakPolarHBondContact O-CB 3.05Å; K123-C127 PolarHBondContact O-N 2.89Å
124Q94.8Very high92.6Very high0 Ų048.5 Ų48.50%028%0.28CS..Hα-helixtrans-62.8-53.1177-170-165-1.200112.7T97 L98 F119 D120 F121 N122 G126 G128T97-Q124 HydrophobicContact CG2-CB 3.86Å; T97-Q124 HydrophobicContact CG2-CG 3.85Å; L98-Q124 WeakPolarHBondContact O-CG 2.96Å; L98-Q124 PolarHBondContact O-NE2 2.68Å; F119-Q124 HydrophobicContact CE1-CB 4.04Å; F119-Q124 HydrophobicContact CE1-CG 4.4Å; F119-Q124 HydrophobicContact CZ-CB 4.45Å; F119-Q124 HydrophobicContact CZ-CG 4.46Å; D120-Q124 PolarHBondContact O-N 2.77Å; F121-Q124 VanDerWaalsContact CD1-OE1 3.31Å; F121-Q124 PolarHBondContact O-N 2.87Å; N122-Q124 VanDerWaalsContact C-N 3.31Å; N122-Q124 PolarHBondContact O-N 3Å; Q124-G126 VanDerWaalsContact C-N 3.33Å; Q124-G128 WeakPolarHBondContact O-CA 3.37Å; Q124-G128 PolarHBondContact O-N 3.35Å
125Y94.4Very high92.5Very high116 Ų11651.5 Ų51.546%0.45530%0.297SS..Hα-helixtrans-71.4-30.2-179.1-73.1-69.3000112.4L99 Y104 I106 F121L99-Y125 HydrophobicContact CD1-CD1 3.75Å; L99-Y125 HydrophobicContact CD1-CE1 3.93Å; Y104-Y125 WeakPolarHBondContact OH-CE1 3.44Å; Y104-Y125 PolarHBondContact OH-OH 3.22Å; I106-Y125 VanDerWaalsContact CD1-OH 3.32Å; I106-Y125 WeakPolarHBondContact CD1-OH 3.34Å; F121-Y125 HydrophobicContact CB-CD2 4.36Å; F121-Y125 HydrophobicContact CB-CE2 4.34Å; F121-Y125 HydrophobicContact CD1-CE2 4.12Å; F121-Y125 WeakPolarHBondContact O-CD2 3.42Å; F121-Y125 PolarHBondContact O-N 3.08Å
126G95.3Very high92.1Very high59 Ų5950.9 Ų50.961%0.60829%0.29SS*.Hα-helixtrans-79.7-35.217900000114.4N122 Q124N122-G126 PolarHBondContact O-N 3.35Å; Q124-G126 VanDerWaalsContact C-N 3.33Å
127C94.8Very high91.4Very high44 Ų4452.6 Ų52.630%0.29730%0.296SS..Hα-helixtrans-137.310.4-170-67.10000114.2H13 S14 K123H13-C127 HydrophobicContact CB-CB 4.06Å; H13-C127 VanDerWaalsContact CB-O 3.29Å; H13-C127 WeakPolarHBondContact CB-O 3.34Å; S14-C127 WeakPolarHBondContact CB-O 3.41Å; S14-C127 PolarHBondContact N-O 2.88Å; S14-C127 PolarHBondContact OG-O 3.1Å; S14-C127 VanDerWaalsContact OG-O 3.05Å; K123-C127 WeakPolarHBondContact O-CA 3.13Å; K123-C127 WeakPolarHBondContact O-CB 3.05Å; K123-C127 PolarHBondContact O-N 2.89Å
128G96.7Very high90Very high7 Ų755.1 Ų55.17%0.07233%0.332CS..PPolyproline II helixtrans-63.3142.4179.700000113Q124 P130Q124-G128 WeakPolarHBondContact O-CA 3.37Å; Q124-G128 PolarHBondContact O-N 3.35Å; G128-P130 WeakPolarHBondContact O-CD 3.47Å
129I97.6Very high88.5Confident4 Ų455.4 Ų55.42%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-70.3119.7176.7-58.8157.3000108.3V12 F17 L96 T97 L98 L99V12-I129 HydrophobicContact CG1-CD1 4.2Å; F17-I129 HydrophobicContact CB-CD1 4.15Å; F17-I129 HydrophobicContact CB-CG1 4.17Å; F17-I129 HydrophobicContact CD1-CG2 4.19Å; F17-I129 HydrophobicContact CD2-CD1 3.44Å; F17-I129 VanDerWaalsContact CD2-CD1 3.44Å; F17-I129 HydrophobicContact CD2-CG1 4.23Å; F17-I129 HydrophobicContact CE1-CG2 4.28Å; F17-I129 HydrophobicContact CE2-CD1 3.92Å; F17-I129 HydrophobicContact CG-CD1 3.86Å; F17-I129 HydrophobicContact CG-CG1 4.15Å; F17-I129 HydrophobicContact CG-CG2 4.4Å; L96-I129 HydrophobicContact CB-CD1 4.24Å; L96-I129 HydrophobicContact CD2-CD1 4.4Å; L96-I129 HydrophobicContact CG-CD1 4.39Å; T97-I129 PolarHBondContact O-N 3.27Å; L98-I129 HydrophobicContact CD2-CB 4.06Å; L98-I129 HydrophobicContact CD2-CD1 4.37Å; L99-I129 PolarHBondContact N-O 3.29Å
130P96.3Very high86.6Confident76 Ų7659.9 Ų59.949%0.49437%0.371SS..EExtended strand (participates in β ladder)trans-70.7144-175.528.4-34.6000111.9L99 G128L99-P130 CarbonylContact O-C 3.52Å; L99-P130 VanDerWaalsContact O-CA 3.28Å; L99-P130 WeakPolarHBondContact O-CA 3.32Å; G128-P130 WeakPolarHBondContact O-CD 3.47Å
131Y95.7Very high84.6Confident8 Ų860.6 Ų60.63%0.03137%0.374CS..EExtended strand (participates in β ladder)trans-151.7154.9171.874-85.5000113.3S69 I70 L98 L99 C100 S101 K133 I147 F177S69-Y131 WeakPolarHBondContact CB-OH 3.43Å; I70-Y131 PolarHBondContact N-OH 2.89Å; I70-Y131 PolarHBondContact O-OH 3.33Å; L98-Y131 HydrophobicContact CB-CD1 4.1Å; L98-Y131 HydrophobicContact CB-CE1 3.77Å; L99-Y131 WeakPolarHBondContact O-CD1 3.49Å; L99-Y131 PolarHBondContact O-N 3Å; C100-Y131 HydrophobicContact CB-CE1 4.05Å; C100-Y131 HydrophobicContact CB-CE2 4.25Å; S101-Y131 PolarHBondContact N-O 3.35Å; S101-Y131 PolarHBondContact OG-O 2.75Å; Y131-K133 HydrophobicContact CE2-CG 4.13Å; Y131-I147 VanDerWaalsContact CB-CG2 3.41Å; Y131-I147 HydrophobicContact CG-CG2 4.24Å; Y131-F177 HydrophobicContact CD1-CE1 4.26Å; Y131-F177 HydrophobicContact CD2-CD1 4.22Å; Y131-F177 AromaticContact CD2-CE1 3.71Å; Y131-F177 HydrophobicContact CD2-CE1 3.71Å; Y131-F177 HydrophobicContact CE2-CE1 4.03Å; Y131-F177 AromaticContact CG-CE1 3.83Å; Y131-F177 HydrophobicContact CG-CE1 3.83Å
132C93.6Very high82.8Confident46 Ų4662.3 Ų62.331%0.31139%0.385SS..  trans-111.5143.3172.9-65.10000110.5R148 S176C132-R148 PolarHBondContact O-NH1 2.74Å; C132-R148 VanDerWaalsContact O-NH1 3.1Å; C132-S176 VanDerWaalsContact O-O 3.07Å
133K93.4Very high81.2Confident7 Ų767.3 Ų67.33%0.0339%0.393CS..  trans-84.2166.4-179.9-59.4175.9-171.3161.30111.3R68 C100 Y131R68-K133 WeakPolarHBondContact O-CE 3.13Å; R68-K133 PolarHBondContact O-NZ 3.08Å; C100-K133 WeakPolarHBondContact SG-CE 3.31Å; Y131-K133 HydrophobicContact CE2-CG 4.13Å
134G91.3Very high80.5Confident0 Ų064.8 Ų64.80%039%0.388CS..SBendtrans78.6-148.6170.200000114R148 Q175 A179G134-R148 PolarHBondContact O-NH1 3.33Å; G134-R148 VanDerWaalsContact O-NH1 3.12Å; G134-R148 PolarHBondContact O-NH2 2.71Å; G134-Q175 PolarHBondContact N-O 3.09Å; G134-A179 WeakPolarHBondContact O-CA 3.38Å
135N88.8Confident80.2Confident69 Ų6967.7 Ų67.737%0.36941%0.406SS..SBendtrans-71.7154.3-178-68.5-13.6000111.5K137 H180N135-K137 PolarHBondContact O-N 3.12Å; N135-H180 VanDerWaalsContact CG-CD2 3.47Å; N135-H180 PolarHBondContact ND2-CD2 3.31Å; N135-H180 PolarHBondContact OD1-N 3.44Å
136N81.5Confident80Confident70 Ų7064.1 Ų64.137%0.37439%0.393SS..  trans-59.5122.4173.3-674.8000108.9G138 R148 K497N136-G138 PolarHBondContact O-N 3.37Å; N136-R148 PolarHBondContact OD1-NE 3.22Å; N136-R148 PolarHBondContact OD1-NH2 3.24Å; N136-K497 PolarHBondContact OD1-NZ 2.99Å
137K71.9Confident80Confident145 Ų14561.4 Ų61.463%0.6337%0.365SS*.  trans-74.5103.3172.5-64.1176.4-174.1172.10106.4E102 N135 G139E102-K137 WeakPolarHBondContact OE1-CE 3.46Å; E102-K137 IonicContact OE1-NZ 2.75Å; E102-K137 PolarHBondContact OE1-NZ 2.97Å; N135-K137 PolarHBondContact O-N 3.12Å; K137-G139 PolarHBondContact O-N 2.83Å; K137-G139 VanDerWaalsContact O-N 3.12Å
138G56Low80Confident90 Ų9060.6 Ų60.693%0.92836%0.356SS*.SBendtrans-35.7113.4-168.600000114.3N136N136-G138 PolarHBondContact O-N 3.37Å
139G54.4Low79.8Confident59 Ų5960.8 Ų60.861%0.60836%0.355SS*.SBendtrans179141.4-176.700000108.1K137 D141K137-G139 PolarHBondContact O-N 2.83Å; K137-G139 VanDerWaalsContact O-N 3.12Å; G139-D141 PolarHBondContact O-N 3.05Å
140S50Low79.7Confident130 Ų13060.7 Ų60.791%0.90936%0.355SS*.SBendtrans-69.364.5-172.452.50000113.5
141D51.4Low79.8Confident96 Ų9657.5 Ų57.551%0.51333%0.333SS..  trans-106.75.4-171.1-128.4-2.6000114G139 R143 G144 H146G139-D141 PolarHBondContact O-N 3.05Å; D141-R143 PolarHBondContact O-N 3.26Å; D141-G144 PolarHBondContact O-N 3.38Å; D141-H146 PolarHBondContact O-NE2 2.92Å; D141-H146 IonicContact OD1-CD2 3.9Å; D141-H146 IonicContact OD1-NE2 2.63Å; D141-H146 IonicContact OD2-CD2 2.74Å; D141-H146 IonicContact OD2-NE2 2.72Å
142D54.4Low79.7Confident67 Ų6757.9 Ų57.936%0.35834%0.337SS..THydrogen-bonded Turntrans-69.3-4-177.9-73.8-25000114.3M500D142-M500 VanDerWaalsContact CG-SD 3.54Å; D142-M500 WeakPolarHBondContact OD2-CE 3.14Å
143R60.7Low79.8Confident246 Ų24656.7 Ų56.793%0.92833%0.326SS*.THydrogen-bonded Turntrans-119.97.3177.3-65-167.3-72.2-162-2.4113.9D141D141-R143 PolarHBondContact O-N 3.26Å
144G77.6Confident80Confident21 Ų2156.8 Ų56.822%0.21633%0.327CS..SBendtrans-81.3159.6177.800000113.4D141 H146 T149D141-G144 PolarHBondContact O-N 3.38Å; G144-H146 PolarHBondContact O-N 3.32Å; G144-T149 WeakPolarHBondContact O-CB 3.34Å; G144-T149 PolarHBondContact O-OG1 3.21Å
145V88.5Confident80.2Confident61 Ų6156.9 Ų56.937%0.3733%0.328SS..SBendtrans-87.589.1170175.90000108F17 K18 W21F17-V145 HydrophobicContact CD1-CG1 3.81Å; F17-V145 HydrophobicContact CE1-CG1 3.86Å; K18-V145 HydrophobicContact CB-CG1 4.17Å; K18-V145 HydrophobicContact CG-CG1 4.3Å; W21-V145 HydrophobicContact CB-CG1 4.08Å; W21-V145 HydrophobicContact CD2-CB 4.37Å; W21-V145 HydrophobicContact CD2-CG1 3.81Å; W21-V145 HydrophobicContact CD2-CG2 4.16Å; W21-V145 HydrophobicContact CE3-CB 4.36Å; W21-V145 HydrophobicContact CE3-CG1 3.58Å; W21-V145 HydrophobicContact CG-CG1 4.04Å; W21-V145 HydrophobicContact CG-CG2 4.14Å; W21-V145 HydrophobicContact CZ3-CG1 4.21Å
146H91.2Very high80.5Confident41 Ų4157.5 Ų57.519%0.1933%0.325CS..SBendtrans-146163.9174.558.162.7000110.5W21 D141 G144 R148 T149 L150W21-H146 WeakPolarHBondContact CZ3-O 3.48Å; D141-H146 PolarHBondContact O-NE2 2.92Å; D141-H146 IonicContact OD1-CD2 3.9Å; D141-H146 IonicContact OD1-NE2 2.63Å; D141-H146 IonicContact OD2-CD2 2.74Å; D141-H146 IonicContact OD2-NE2 2.72Å; G144-H146 PolarHBondContact O-N 3.32Å; H146-R148 PolarHBondContact ND1-N 2.71Å; H146-R148 PolarHBondContact O-N 2.94Å; H146-T149 PolarHBondContact CE1-N 3.32Å; H146-T149 VanDerWaalsContact CE1-N 3.26Å; H146-T149 PolarHBondContact CE1-OG1 3.2Å; H146-T149 PolarHBondContact ND1-N 2.88Å; H146-T149 PolarHBondContact ND1-OG1 3.35Å; H146-T149 PolarHBondContact NE2-OG1 2.81Å; H146-T149 PolarHBondContact O-N 3.18Å; H146-T149 VanDerWaalsContact O-N 3.15Å; H146-L150 PolarHBondContact O-N 3.37Å; H146-L150 VanDerWaalsContact O-N 3.09Å
147I94.8Very high81.1Confident3 Ų355 Ų552%0.01531%0.314CS..Hα-helixtrans-61.8-30.3-172.8-172.458.9000113.3L73 L96 L98 Y131 L150 F151 F177L73-I147 HydrophobicContact CD2-CD1 4.24Å; L96-I147 HydrophobicContact CD2-CD1 3.49Å; L96-I147 VanDerWaalsContact CD2-CD1 3.49Å; L98-I147 HydrophobicContact CD2-CB 4.43Å; L98-I147 HydrophobicContact CD2-CD1 4.2Å; L98-I147 HydrophobicContact CD2-CG1 3.94Å; Y131-I147 VanDerWaalsContact CB-CG2 3.41Å; Y131-I147 HydrophobicContact CG-CG2 4.24Å; I147-L150 HydrophobicContact CD1-CB 4.32Å; I147-L150 HydrophobicContact CD1-CD2 4Å; I147-L150 WeakPolarHBondContact O-CB 3.09Å; I147-L150 PolarHBondContact O-N 3.22Å; I147-F151 PolarHBondContact O-N 3.36Å; I147-F177 HydrophobicContact CB-CE1 4.43Å; I147-F177 HydrophobicContact CG1-CD1 4Å; I147-F177 HydrophobicContact CG1-CE1 3.71Å; I147-F177 HydrophobicContact CG1-CE2 4.25Å; I147-F177 HydrophobicContact CG1-CG 4.43Å; I147-F177 HydrophobicContact CG1-CZ 3.85Å; I147-F177 HydrophobicContact CG2-CD1 3.86Å; I147-F177 HydrophobicContact CG2-CE1 3.75Å
148R93.6Very high82.3Confident27 Ų2754.2 Ų54.210%0.10231%0.307CS..Hα-helixtrans-70.6-36.6178.7-58-179.859.792.7-2.6111.3C132 G134 N136 H146 L150 T152 S176 F177 Y178C132-R148 PolarHBondContact O-NH1 2.74Å; C132-R148 VanDerWaalsContact O-NH1 3.1Å; G134-R148 PolarHBondContact O-NH1 3.33Å; G134-R148 VanDerWaalsContact O-NH1 3.12Å; G134-R148 PolarHBondContact O-NH2 2.71Å; N136-R148 PolarHBondContact OD1-NE 3.22Å; N136-R148 PolarHBondContact OD1-NH2 3.24Å; H146-R148 PolarHBondContact ND1-N 2.71Å; H146-R148 PolarHBondContact O-N 2.94Å; R148-L150 VanDerWaalsContact C-N 3.34Å; R148-T152 WeakPolarHBondContact O-CB 3.28Å; R148-T152 PolarHBondContact O-N 3.06Å; R148-T152 PolarHBondContact O-OG1 3.23Å; R148-S176 PolarHBondContact NH1-O 3.24Å; R148-F177 HydrophobicContact CG-CD1 4.49Å; R148-Y178 PolarHBondContact NH2-O 3.38Å
149T93.6Very high84.2Confident10 Ų1052.6 Ų52.66%0.06127%0.274CS..Hα-helixtrans-66.3-38170.3-62.50000110.3W21 G144 H146 F151 T152 E153W21-T149 HydrophobicContact CH2-CG2 3.66Å; W21-T149 HydrophobicContact CZ2-CG2 3.7Å; G144-T149 WeakPolarHBondContact O-CB 3.34Å; G144-T149 PolarHBondContact O-OG1 3.21Å; H146-T149 PolarHBondContact CE1-N 3.32Å; H146-T149 VanDerWaalsContact CE1-N 3.26Å; H146-T149 PolarHBondContact CE1-OG1 3.2Å; H146-T149 PolarHBondContact ND1-N 2.88Å; H146-T149 PolarHBondContact ND1-OG1 3.35Å; H146-T149 PolarHBondContact NE2-OG1 2.81Å; H146-T149 PolarHBondContact O-N 3.18Å; H146-T149 VanDerWaalsContact O-N 3.15Å; T149-F151 PolarHBondContact O-N 3.12Å; T149-T152 CarbonylContact O-C 3.59Å; T149-T152 WeakPolarHBondContact O-CA 3.33Å; T149-T152 VanDerWaalsContact O-CB 3.28Å; T149-T152 WeakPolarHBondContact O-CB 3.25Å; T149-T152 PolarHBondContact O-N 3.31Å; T149-T152 VanDerWaalsContact O-N 3.09Å; T149-E153 PolarHBondContact O-N 3.3Å
150L96.1Very high86.2Confident3 Ų349.9 Ų49.92%0.01625%0.246CC..Hα-helixtrans-64.1-43.6177.6-171.365.2000111.4F17 W21 M24 V25 I28 I75 L96 H146 I147 R148 T152 E153 L154F17-L150 HydrophobicContact CE2-CD2 4.13Å; F17-L150 HydrophobicContact CZ-CD2 4.38Å; W21-L150 HydrophobicContact CE3-CD1 4.45Å; W21-L150 HydrophobicContact CH2-CB 3.94Å; W21-L150 HydrophobicContact CH2-CD1 4.39Å; W21-L150 HydrophobicContact CZ3-CB 3.72Å; W21-L150 HydrophobicContact CZ3-CD1 4.14Å; W21-L150 HydrophobicContact CZ3-CG 4.45Å; M24-L150 HydrophobicContact CB-CD1 4.17Å; M24-L150 HydrophobicContact CE-CD2 4.38Å; M24-L150 HydrophobicContact SD-CD2 4.09Å; V25-L150 HydrophobicContact CG2-CD1 4.19Å; I28-L150 HydrophobicContact CD1-CD1 3.68Å; I28-L150 HydrophobicContact CD1-CG 4.16Å; I75-L150 HydrophobicContact CD1-CD2 4.16Å; L96-L150 HydrophobicContact CD2-CD2 3.69Å; H146-L150 PolarHBondContact O-N 3.37Å; H146-L150 VanDerWaalsContact O-N 3.09Å; I147-L150 HydrophobicContact CD1-CB 4.32Å; I147-L150 HydrophobicContact CD1-CD2 4Å; I147-L150 WeakPolarHBondContact O-CB 3.09Å; I147-L150 PolarHBondContact O-N 3.22Å; R148-L150 VanDerWaalsContact C-N 3.34Å; L150-T152 PolarHBondContact O-N 2.92Å; L150-E153 WeakPolarHBondContact O-CB 3.34Å; L150-E153 PolarHBondContact O-N 3.35Å; L150-E153 VanDerWaalsContact O-N 3.16Å; L150-L154 PolarHBondContact O-N 3.31Å
151F96.5Very high88.5Confident9 Ų943.8 Ų43.84%0.03920%0.203CC..Hα-helixtrans-60.9-36.7172.6-170.9-102.5000111.5I147 T149 L154 L155 L173 F177 Y178 M195 F196I147-F151 PolarHBondContact O-N 3.36Å; T149-F151 PolarHBondContact O-N 3.12Å; F151-L154 WeakPolarHBondContact O-CB 3.5Å; F151-L154 PolarHBondContact O-N 2.75Å; F151-L155 HydrophobicContact CD1-CD1 4.26Å; F151-L155 HydrophobicContact CD1-CG 4.48Å; F151-L155 HydrophobicContact CE1-CD1 3.97Å; F151-L155 HydrophobicContact CE1-CD2 4.35Å; F151-L155 HydrophobicContact CE1-CG 4.22Å; F151-L155 HydrophobicContact CZ-CD2 4.47Å; F151-L155 WeakPolarHBondContact O-CG 3.23Å; F151-L155 PolarHBondContact O-N 3.32Å; F151-L155 VanDerWaalsContact O-N 3.11Å; F151-L173 HydrophobicContact CE2-CB 4.1Å; F151-L173 HydrophobicContact CE2-CD2 4.31Å; F151-L173 HydrophobicContact CZ-CB 4.39Å; F151-F177 HydrophobicContact CB-CB 3.75Å; F151-F177 HydrophobicContact CB-CG 4.43Å; F151-F177 HydrophobicContact CD1-CB 3.97Å; F151-F177 HydrophobicContact CD2-CB 4.3Å; F151-F177 HydrophobicContact CD2-CD2 4.25Å; F151-F177 HydrophobicContact CG-CB 3.73Å; F151-F177 HydrophobicContact CG-CD2 4.46Å; F151-Y178 HydrophobicContact CD1-CD2 4.46Å; F151-Y178 HydrophobicContact CE1-CD2 4.08Å; F151-Y178 HydrophobicContact CE1-CG 4.26Å; F151-M195 HydrophobicContact CE1-CE 3.83Å; F151-M195 HydrophobicContact CZ-CE 3.9Å; F151-F196 HydrophobicContact CZ-CZ 4.43Å
152T94.6Very high90.8Very high16 Ų1639.2 Ų39.210%0.09818%0.178CC..Hα-helixtrans-64.5-41.6173.6-57.50000112R148 T149 L150 L154 L155 R156 V501R148-T152 WeakPolarHBondContact O-CB 3.28Å; R148-T152 PolarHBondContact O-N 3.06Å; R148-T152 PolarHBondContact O-OG1 3.23Å; T149-T152 CarbonylContact O-C 3.59Å; T149-T152 WeakPolarHBondContact O-CA 3.33Å; T149-T152 VanDerWaalsContact O-CB 3.28Å; T149-T152 WeakPolarHBondContact O-CB 3.25Å; T149-T152 PolarHBondContact O-N 3.31Å; T149-T152 VanDerWaalsContact O-N 3.09Å; L150-T152 PolarHBondContact O-N 2.92Å; T152-L154 VanDerWaalsContact C-N 3.27Å; T152-L154 PolarHBondContact O-N 2.84Å; T152-L155 PolarHBondContact O-N 3.44Å; T152-R156 WeakPolarHBondContact O-CG 3.27Å; T152-R156 PolarHBondContact O-N 3.38Å; T152-V501 HydrophobicContact CG2-CG2 3.71Å
153E95.6Very high92.9Very high20 Ų2036 Ų369%0.09316%0.161CC..Hα-helixtrans-62.3-34.9174-69.2-61.1116.800112V25 K29 T149 L150 R156 A157V25-E153 HydrophobicContact CG1-CG 4.42Å; V25-E153 HydrophobicContact CG2-CG 4.18Å; K29-E153 WeakPolarHBondContact CE-OE2 3.49Å; K29-E153 IonicContact NZ-OE2 3.86Å; K29-E153 PolarHBondContact NZ-OE2 2.97Å; T149-E153 PolarHBondContact O-N 3.3Å; L150-E153 WeakPolarHBondContact O-CB 3.34Å; L150-E153 PolarHBondContact O-N 3.35Å; L150-E153 VanDerWaalsContact O-N 3.16Å; E153-R156 PolarHBondContact O-N 3.27Å; E153-R156 WeakPolarHBondContact OE1-CD 3.35Å; E153-R156 IonicContact OE1-CZ 2.63Å; E153-R156 IonicContact OE1-NH1 3.76Å; E153-R156 PolarHBondContact OE1-NH1 2.8Å; E153-A157 WeakPolarHBondContact O-CB 3.27Å; E153-A157 PolarHBondContact O-N 3.02Å
154L96.7Very high94.7Very high10 Ų1025.2 Ų25.25%0.05212%0.121CC..Hα-helixtrans-61.1-46172.5-171.1157000111.4I28 I34 L36 L150 F151 T152 A157 F196I28-L154 HydrophobicContact CG2-CB 4.37Å; I34-L154 HydrophobicContact CD1-CD1 4.42Å; I34-L154 HydrophobicContact CD1-CG 4Å; I34-L154 HydrophobicContact CG2-CD1 4.19Å; L36-L154 HydrophobicContact CD1-CD1 3.98Å; L36-L154 HydrophobicContact CD2-CD1 4.08Å; L36-L154 HydrophobicContact CG-CD1 4.49Å; L150-L154 PolarHBondContact O-N 3.31Å; F151-L154 WeakPolarHBondContact O-CB 3.5Å; F151-L154 PolarHBondContact O-N 2.75Å; T152-L154 VanDerWaalsContact C-N 3.27Å; T152-L154 PolarHBondContact O-N 2.84Å; L154-A157 PolarHBondContact O-N 3.25Å; L154-F196 HydrophobicContact CD2-CE1 3.66Å; L154-F196 HydrophobicContact CD2-CZ 4.46Å
155L95.8Very high95.6Very high1 Ų126.5 Ų26.51%0.00512%0.124CC..Hα-helixtrans-65.5-39.3175.2-60.6179.9000112.4F151 T152 A157 R158 Y178 M195 F196 V501 W502F151-L155 HydrophobicContact CD1-CD1 4.26Å; F151-L155 HydrophobicContact CD1-CG 4.48Å; F151-L155 HydrophobicContact CE1-CD1 3.97Å; F151-L155 HydrophobicContact CE1-CD2 4.35Å; F151-L155 HydrophobicContact CE1-CG 4.22Å; F151-L155 HydrophobicContact CZ-CD2 4.47Å; F151-L155 WeakPolarHBondContact O-CG 3.23Å; F151-L155 PolarHBondContact O-N 3.32Å; F151-L155 VanDerWaalsContact O-N 3.11Å; T152-L155 PolarHBondContact O-N 3.44Å; L155-A157 PolarHBondContact O-N 3Å; L155-R158 PolarHBondContact O-N 3.05Å; L155-Y178 HydrophobicContact CD1-CD2 3.82Å; L155-Y178 HydrophobicContact CD1-CE2 3.65Å; L155-M195 HydrophobicContact CD1-CE 4.15Å; L155-M195 HydrophobicContact CD2-CB 4.03Å; L155-M195 HydrophobicContact CD2-CE 3.9Å; L155-F196 HydrophobicContact CD2-CD1 4.28Å; L155-F196 HydrophobicContact CD2-CE1 3.55Å; L155-F196 HydrophobicContact CD2-CE2 4.38Å; L155-F196 HydrophobicContact CD2-CZ 3.61Å; L155-V501 HydrophobicContact CB-CG1 3.98Å; L155-W502 PolarHBondContact O-NE1 2.91Å; L155-W502 VanDerWaalsContact O-NE1 3.08Å
156R95Very high96Very high82 Ų8223.6 Ų23.631%0.30911%0.106SC..Hα-helixtrans-62.1-32.6175.6-73.5-177.1176.2133.23112.4T152 E153 R158 V501T152-R156 WeakPolarHBondContact O-CG 3.27Å; T152-R156 PolarHBondContact O-N 3.38Å; E153-R156 PolarHBondContact O-N 3.27Å; E153-R156 WeakPolarHBondContact OE1-CD 3.35Å; E153-R156 IonicContact OE1-CZ 2.63Å; E153-R156 IonicContact OE1-NH1 3.76Å; E153-R156 PolarHBondContact OE1-NH1 2.8Å; R156-R158 PolarHBondContact O-N 2.99Å; R156-V501 HydrophobicContact CB-CG1 4.5Å; R156-V501 HydrophobicContact CG-CG1 3.58Å
157A95.8Very high96.2Very high17 Ų1722.1 Ų22.114%0.1410%0.099CC..Hα-helixtrans-70.7-17.8-179.200000113.8I28 E153 L154 L155 K159I28-A157 HydrophobicContact CG2-CB 3.72Å; E153-A157 WeakPolarHBondContact O-CB 3.27Å; E153-A157 PolarHBondContact O-N 3.02Å; L154-A157 PolarHBondContact O-N 3.25Å; L155-A157 PolarHBondContact O-N 3Å; A157-K159 HydrophobicContact CB-CG 3.85Å; A157-K159 WeakPolarHBondContact O-CD 3.32Å; A157-K159 VanDerWaalsContact O-CE 3.26Å; A157-K159 WeakPolarHBondContact O-CE 3.3Å; A157-K159 WeakPolarHBondContact O-CG 3.47Å; A157-K159 PolarHBondContact O-N 2.93Å; A157-K159 VanDerWaalsContact O-N 3.16Å
158R95.6Very high96.3Very high130 Ų13023.5 Ų23.549%0.49111%0.107SC..THydrogen-bonded Turntrans5236.1176.6-61.2-179.9-179.6173.62.6113.5L155 R156 P197 A198 W502L155-R158 PolarHBondContact O-N 3.05Å; R156-R158 PolarHBondContact O-N 2.99Å; R158-P197 HydrophobicContact CB-CG 4Å; R158-P197 HydrophobicContact CG-CG 4.04Å; R158-A198 WeakPolarHBondContact O-CB 3.34Å; R158-W502 HydrophobicContact CG-CZ2 3.87Å; R158-W502 VanDerWaalsContact NH2-CG 3.26Å
159K96.1Very high96.6Very high56 Ų5623 Ų2324%0.24311%0.106CC..PPolyproline II helixtrans-86.9154.8-179.8-54.4-57.7179.1163.90110.9K29 S31 I34 A157 L161K29-K159 WeakPolarHBondContact O-CE 3.12Å; K29-K159 PolarHBondContact O-NZ 3.4Å; K29-K159 VanDerWaalsContact O-NZ 3.16Å; S31-K159 VanDerWaalsContact O-CD 3.25Å; S31-K159 WeakPolarHBondContact O-CD 3.15Å; S31-K159 WeakPolarHBondContact O-CE 3.31Å; S31-K159 PolarHBondContact O-NZ 2.9Å; I34-K159 HydrophobicContact CD1-CB 4Å; I34-K159 HydrophobicContact CD1-CG 4.11Å; I34-K159 HydrophobicContact CG1-CB 4.1Å; I34-K159 HydrophobicContact CG1-CG 4.44Å; A157-K159 HydrophobicContact CB-CG 3.85Å; A157-K159 WeakPolarHBondContact O-CD 3.32Å; A157-K159 VanDerWaalsContact O-CE 3.26Å; A157-K159 WeakPolarHBondContact O-CE 3.3Å; A157-K159 WeakPolarHBondContact O-CG 3.47Å; A157-K159 PolarHBondContact O-N 2.93Å; A157-K159 VanDerWaalsContact O-N 3.16Å; K159-L161 PolarHBondContact O-N 2.82Å
160A97.4Very high96.8Very high1 Ų122.8 Ų22.81%0.00810%0.104CC..EExtended strand (participates in β ladder)trans-59.2130.1170.700000109.2F33 I34 A198 Y201 W463F33-A160 HydrophobicContact CB-CB 3.93Å; I34-A160 PolarHBondContact N-O 3.5Å; A160-A198 HydrophobicContact CB-CB 4.26Å; A160-Y201 HydrophobicContact CB-CD2 4.1Å; A160-Y201 HydrophobicContact CB-CE2 3.73Å; A160-W463 HydrophobicContact CB-CG 4.5Å
161L98.4Very high96.9Very high2 Ų222.6 Ų22.61%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-95.4127.1177.8177.265.1000109.4L36 K159 L163 F196 G199 I200 Y201L36-L161 HydrophobicContact CB-CD1 4.39Å; L36-L161 HydrophobicContact CD1-CD1 3.56Å; L36-L161 HydrophobicContact CG-CD1 3.7Å; K159-L161 PolarHBondContact O-N 2.82Å; L161-L163 HydrophobicContact CD2-CD1 3.79Å; L161-L163 HydrophobicContact CG-CD1 3.99Å; L161-L163 HydrophobicContact CG-CG 4.32Å; L161-F196 HydrophobicContact CB-CD1 3.86Å; L161-F196 HydrophobicContact CB-CE1 4.2Å; L161-F196 HydrophobicContact CB-CG 4.21Å; L161-F196 HydrophobicContact CD2-CD1 4.05Å; L161-F196 HydrophobicContact CD2-CD2 4.04Å; L161-F196 HydrophobicContact CD2-CE1 3.76Å; L161-F196 HydrophobicContact CD2-CE2 3.75Å; L161-F196 HydrophobicContact CD2-CG 4.18Å; L161-F196 HydrophobicContact CD2-CZ 3.61Å; L161-F196 HydrophobicContact CG-CE1 4.42Å; L161-G199 PolarHBondContact N-O 2.96Å; L161-I200 HydrophobicContact CD2-CG2 4.3Å; L161-I200 HydrophobicContact CG-CG2 4.46Å; L161-I200 CarbonylContact O-C 3.6Å; L161-I200 WeakPolarHBondContact O-CA 3.25Å; L161-Y201 PolarHBondContact O-N 3.1Å
162V98.8Very high97Very high0 Ų022.2 Ų22.20%010%0.101CC..EExtended strand (participates in β ladder)trans-118.5130.5-179.4-171.70000109.5F33 I34 A35 L36 Y201 T203 T433 F437F33-V162 HydrophobicContact CB-CG2 4.33Å; F33-V162 HydrophobicContact CD2-CB 4.49Å; F33-V162 HydrophobicContact CD2-CG2 3.63Å; F33-V162 HydrophobicContact CE2-CG2 4.3Å; F33-V162 HydrophobicContact CG-CG2 4.26Å; I34-V162 PolarHBondContact O-N 3.28Å; A35-V162 CarbonylContact C-O 3.56Å; A35-V162 WeakPolarHBondContact CA-O 3.37Å; A35-V162 HydrophobicContact CB-CB 4.07Å; L36-V162 PolarHBondContact N-O 2.98Å; V162-Y201 WeakPolarHBondContact CA-O 3.02Å; V162-T203 HydrophobicContact CG1-CG2 3.54Å; V162-T433 HydrophobicContact CG1-CG2 3.83Å; V162-F437 HydrophobicContact CB-CG 4.5Å; V162-F437 HydrophobicContact CG1-CB 3.61Å; V162-F437 HydrophobicContact CG1-CD1 4.38Å; V162-F437 HydrophobicContact CG1-CD2 4.14Å; V162-F437 HydrophobicContact CG1-CG 3.81Å; V162-F437 HydrophobicContact CG2-CB 4.36Å; V162-F437 HydrophobicContact CG2-CD1 3.57Å; V162-F437 HydrophobicContact CG2-CD2 4.24Å; V162-F437 HydrophobicContact CG2-CE1 3.72Å; V162-F437 HydrophobicContact CG2-CE2 4.39Å; V162-F437 HydrophobicContact CG2-CG 3.8Å; V162-F437 HydrophobicContact CG2-CZ 4.1Å
163L98.6Very high97.2Very high0 Ų021.6 Ų21.60%010%0.098CC..EExtended strand (participates in β ladder)trans-137.3169.4179.1-68146.6000109.6L36 L161 D169 M170 I200 Y201 D202 T203 T433L36-L163 HydrophobicContact CB-CD2 3.9Å; L161-L163 HydrophobicContact CD2-CD1 3.79Å; L161-L163 HydrophobicContact CG-CD1 3.99Å; L161-L163 HydrophobicContact CG-CG 4.32Å; L163-D169 HydrophobicContact CD2-CB 3.81Å; L163-M170 HydrophobicContact CD1-CE 4.44Å; L163-M170 HydrophobicContact CD1-CG 3.45Å; L163-M170 VanDerWaalsContact CD1-CG 3.45Å; L163-M170 HydrophobicContact CD1-SD 3.78Å; L163-I200 HydrophobicContact CD1-CG2 4.18Å; L163-Y201 PolarHBondContact N-O 2.88Å; L163-D202 CarbonylContact O-C 3.58Å; L163-D202 WeakPolarHBondContact O-CA 3.45Å; L163-T203 PolarHBondContact O-N 2.98Å; L163-T203 PolarHBondContact O-OG1 2.77Å; L163-T203 VanDerWaalsContact O-OG1 3.05Å; L163-T433 VanDerWaalsContact C-CG2 3.44Å
164H98.1Very high97.3Very high19 Ų1920.8 Ų20.89%0.0889%0.094CC..SBendtrans-122.4111171.1-172.887.5000109.5G166 T203 K204 S216 L218 T433H164-G166 VanDerWaalsContact C-N 3.26Å; H164-G166 PolarHBondContact O-N 3.36Å; H164-T203 WeakPolarHBondContact CA-OG1 3.39Å; H164-T203 VanDerWaalsContact CB-OG1 3.31Å; H164-T203 WeakPolarHBondContact CB-OG1 3.38Å; H164-T203 PolarHBondContact ND1-OG1 2.93Å; H164-K204 PolarHBondContact ND1-N 3.04Å; H164-S216 PolarHBondContact CE1-O 3.24Å; H164-S216 PolarHBondContact NE2-O 3.23Å; H164-L218 HydrophobicContact CB-CD1 4.08Å; H164-L218 PolarHBondContact NE2-N 3.44Å; H164-T433 HydrophobicContact CB-CG2 4.19Å
165N96.3Very high97.3Very high49 Ų4920.5 Ų20.526%0.2629%0.092SC..SBendtrans57.739.8-171.4-169.648.7000112.6L167 D202 K204N165-L167 VanDerWaalsContact C-N 3.28Å; N165-L167 PolarHBondContact O-N 2.9Å; N165-D202 VanDerWaalsContact CA-OD2 3.3Å; N165-D202 WeakPolarHBondContact CA-OD2 3.33Å; N165-D202 PolarHBondContact N-OD1 3.16Å; N165-D202 PolarHBondContact N-OD2 3.38Å; N165-K204 HydrophobicContact CB-CB 4.34Å; N165-K204 HydrophobicContact CB-CD 3.73Å
166G96.6Very high97.4Very high0 Ų020.5 Ų20.50%09%0.092CC..THydrogen-bonded Turntrans-777.7-157.400000117.6H164 I168 D169 M170 D202H164-G166 VanDerWaalsContact C-N 3.26Å; H164-G166 PolarHBondContact O-N 3.36Å; G166-I168 VanDerWaalsContact C-N 3.29Å; G166-I168 PolarHBondContact O-N 3.26Å; G166-D169 WeakPolarHBondContact CA-OD2 3.41Å; G166-D169 PolarHBondContact O-N 2.89Å; G166-M170 WeakPolarHBondContact O-CB 3.45Å; G166-M170 WeakPolarHBondContact O-CE 3.46Å; G166-M170 VanDerWaalsContact O-CG 3.32Å; G166-M170 WeakPolarHBondContact O-CG 3.26Å; G166-M170 PolarHBondContact O-N 2.95Å; G166-D202 PolarHBondContact N-OD2 3.26Å
167L96.9Very high97.4Very high10 Ų1016.6 Ų16.65%0.0528%0.077CC..Hα-helixtrans-60.4-41.5-176.6-179.459.2000111.9I61 N165 A171 F188 I471 L473 L480I61-L167 HydrophobicContact CD1-CD2 3.68Å; I61-L167 HydrophobicContact CD1-CG 3.89Å; N165-L167 VanDerWaalsContact C-N 3.28Å; N165-L167 PolarHBondContact O-N 2.9Å; L167-A171 PolarHBondContact O-N 2.7Å; L167-F188 HydrophobicContact CD1-CE1 4.2Å; L167-I471 HydrophobicContact CB-CG2 3.88Å; L167-L473 HydrophobicContact CD2-CD2 3.77Å; L167-L480 HydrophobicContact CD1-CD2 3.8Å; L167-L480 HydrophobicContact CD2-CD2 4.46Å
168I97.2Very high97.4Very high32 Ų3215.9 Ų15.916%0.1647%0.071CC..Hα-helixtrans-70.8-48.6179.7-61.8-179.6000109.5L40 L43 I61 G166 M170 A171 F172L40-I168 HydrophobicContact CD1-CG2 3.69Å; L43-I168 HydrophobicContact CD2-CD1 4.35Å; L43-I168 HydrophobicContact CD2-CG2 4.04Å; I61-I168 HydrophobicContact CD1-CG1 4.05Å; I61-I168 HydrophobicContact CG1-CG1 4.18Å; I61-I168 HydrophobicContact CG2-CG1 4.49Å; G166-I168 VanDerWaalsContact C-N 3.29Å; G166-I168 PolarHBondContact O-N 3.26Å; I168-M170 VanDerWaalsContact C-N 3.31Å; I168-M170 PolarHBondContact O-N 3.08Å; I168-A171 WeakPolarHBondContact O-CB 3.24Å; I168-A171 PolarHBondContact O-N 3.18Å; I168-F172 HydrophobicContact CG2-CD2 3.7Å; I168-F172 HydrophobicContact CG2-CE2 3.74Å; I168-F172 WeakPolarHBondContact O-CD2 3.19Å; I168-F172 PolarHBondContact O-N 2.9Å
169D98.2Very high97.4Very high16 Ų169.7 Ų9.79%0.0865%0.048CC..Hα-helixtrans-53.1-48.6177.5-57.3-85.2000111.5T38 L163 G166 A171 F172 L173T38-D169 WeakPolarHBondContact CB-OD1 3.48Å; T38-D169 HydrophobicContact CG2-CB 4.43Å; T38-D169 PolarHBondContact N-OD1 3.03Å; T38-D169 VanDerWaalsContact N-OD1 3.13Å; T38-D169 PolarHBondContact OG1-OD1 3.15Å; L163-D169 HydrophobicContact CD2-CB 3.81Å; G166-D169 WeakPolarHBondContact CA-OD2 3.41Å; G166-D169 PolarHBondContact O-N 2.89Å; D169-A171 VanDerWaalsContact C-N 3.34Å; D169-A171 PolarHBondContact O-N 3.44Å; D169-F172 PolarHBondContact O-N 2.83Å; D169-L173 WeakPolarHBondContact O-CB 3.48Å; D169-L173 WeakPolarHBondContact O-CG 3.49Å; D169-L173 PolarHBondContact O-N 3.05Å
170M98.3Very high97.3Very high5 Ų511 Ų113%0.0255%0.054CC..Hα-helixtrans-61.3-40.2178.5-72.3-174.6-66.400112.7L163 G166 I168 Y174 F188 L192 I200 I471L163-M170 HydrophobicContact CD1-CE 4.44Å; L163-M170 HydrophobicContact CD1-CG 3.45Å; L163-M170 VanDerWaalsContact CD1-CG 3.45Å; L163-M170 HydrophobicContact CD1-SD 3.78Å; G166-M170 WeakPolarHBondContact O-CB 3.45Å; G166-M170 WeakPolarHBondContact O-CE 3.46Å; G166-M170 VanDerWaalsContact O-CG 3.32Å; G166-M170 WeakPolarHBondContact O-CG 3.26Å; G166-M170 PolarHBondContact O-N 2.95Å; I168-M170 VanDerWaalsContact C-N 3.31Å; I168-M170 PolarHBondContact O-N 3.08Å; M170-Y174 WeakPolarHBondContact O-CB 3.31Å; M170-Y174 PolarHBondContact O-N 3.39Å; M170-F188 HydrophobicContact CB-CZ 4.19Å; M170-L192 HydrophobicContact CB-CD1 4.35Å; M170-L192 HydrophobicContact CB-CD2 4.42Å; M170-L192 HydrophobicContact CE-CD1 4.17Å; M170-L192 HydrophobicContact SD-CD1 3.81Å; M170-L192 HydrophobicContact SD-CD2 4.38Å; M170-I200 HydrophobicContact SD-CD1 3.82Å; M170-I200 HydrophobicContact SD-CG2 3.92Å; M170-I471 HydrophobicContact CE-CD1 3.64Å; M170-I471 HydrophobicContact CE-CG1 3.86Å; M170-I471 HydrophobicContact CE-CG2 4.16Å; M170-I471 HydrophobicContact SD-CD1 4.49Å
171A98.3Very high97.3Very high0 Ų011.2 Ų11.20%06%0.055CC..Hα-helixtrans-65.3-41.6177.600000111.6I61 A65 L167 I168 D169 Q175 L181 F188I61-A171 HydrophobicContact CG2-CB 3.43Å; I61-A171 VanDerWaalsContact CG2-CB 3.43Å; A65-A171 HydrophobicContact CB-CB 4.32Å; L167-A171 PolarHBondContact O-N 2.7Å; I168-A171 WeakPolarHBondContact O-CB 3.24Å; I168-A171 PolarHBondContact O-N 3.18Å; D169-A171 VanDerWaalsContact C-N 3.34Å; D169-A171 PolarHBondContact O-N 3.44Å; A171-Q175 WeakPolarHBondContact O-CB 3.13Å; A171-Q175 PolarHBondContact O-N 3.32Å; A171-L181 HydrophobicContact CB-CD1 4.45Å; A171-L181 HydrophobicContact CB-CD2 4.09Å; A171-F188 HydrophobicContact CB-CZ 4.22Å
172F98.4Very high97.2Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-68.2-44.2176.1-89-99.1000112.2L40 A64 A65 R68 I70 I168 D169 Y174 Q175 S176L40-F172 HydrophobicContact CB-CE1 4.48Å; L40-F172 HydrophobicContact CD1-CD1 4.26Å; L40-F172 HydrophobicContact CD1-CD2 3.74Å; L40-F172 HydrophobicContact CD1-CE1 4.21Å; L40-F172 HydrophobicContact CD1-CE2 3.71Å; L40-F172 HydrophobicContact CD1-CG 4.01Å; L40-F172 HydrophobicContact CD1-CZ 3.93Å; L40-F172 HydrophobicContact CD2-CB 4.09Å; L40-F172 HydrophobicContact CD2-CD1 3.49Å; L40-F172 VanDerWaalsContact CD2-CD1 3.49Å; L40-F172 HydrophobicContact CD2-CD2 4.33Å; L40-F172 HydrophobicContact CD2-CE1 3.87Å; L40-F172 HydrophobicContact CD2-CG 3.72Å; L40-F172 HydrophobicContact CD2-CZ 4.43Å; L40-F172 HydrophobicContact CG-CD1 4.41Å; L40-F172 HydrophobicContact CG-CE1 4.42Å; A64-F172 HydrophobicContact CB-CE2 4.35Å; A64-F172 HydrophobicContact CB-CZ 4.38Å; A65-F172 HydrophobicContact CB-CD1 4.45Å; A65-F172 HydrophobicContact CB-CD2 3.8Å; A65-F172 HydrophobicContact CB-CE2 3.98Å; A65-F172 HydrophobicContact CB-CG 4.08Å; A65-F172 HydrophobicContact CB-CZ 4.42Å; R68-F172 HydrophobicContact CB-CE1 3.79Å; R68-F172 HydrophobicContact CB-CZ 3.91Å; I70-F172 HydrophobicContact CD1-CB 4.04Å; I70-F172 HydrophobicContact CG1-CB 3.95Å; I70-F172 HydrophobicContact CG1-CD1 4.03Å; I70-F172 HydrophobicContact CG1-CG 4.46Å; I168-F172 HydrophobicContact CG2-CD2 3.7Å; I168-F172 HydrophobicContact CG2-CE2 3.74Å; I168-F172 WeakPolarHBondContact O-CD2 3.19Å; I168-F172 PolarHBondContact O-N 2.9Å; D169-F172 PolarHBondContact O-N 2.83Å; F172-Y174 VanDerWaalsContact C-N 3.33Å; F172-Y174 PolarHBondContact O-N 3.49Å; F172-Q175 PolarHBondContact O-N 3.12Å; F172-S176 WeakPolarHBondContact O-CB 3.45Å; F172-S176 PolarHBondContact O-N 2.64Å; F172-S176 PolarHBondContact O-OG 2.65Å
173L98.4Very high97Very high4 Ų418.6 Ų18.62%0.0219%0.091CC..Hα-helixtrans-58.9-45.4175-73.7169.8000111L36 T38 I70 L73 F151 D169 S176 F177L36-L173 HydrophobicContact CD1-CD1 3.73Å; T38-L173 HydrophobicContact CG2-CD2 4.3Å; T38-L173 HydrophobicContact CG2-CG 4.35Å; I70-L173 HydrophobicContact CD1-CD2 4.25Å; L73-L173 HydrophobicContact CD1-CD2 3.81Å; L73-L173 HydrophobicContact CD2-CD2 4.45Å; F151-L173 HydrophobicContact CE2-CB 4.1Å; F151-L173 HydrophobicContact CE2-CD2 4.31Å; F151-L173 HydrophobicContact CZ-CB 4.39Å; D169-L173 WeakPolarHBondContact O-CB 3.48Å; D169-L173 WeakPolarHBondContact O-CG 3.49Å; D169-L173 PolarHBondContact O-N 3.05Å; L173-S176 PolarHBondContact O-N 3.34Å; L173-F177 HydrophobicContact CD2-CD2 3.73Å; L173-F177 HydrophobicContact CD2-CE2 3.69Å; L173-F177 PolarHBondContact O-N 3.07Å
174Y98Very high96.9Very high2 Ų225.4 Ų25.41%0.00812%0.117CC..Iπ-helixtrans-60.9-53.8177.2-170.4-66.8000110.7M170 F172 S176 Y178 A179 H180 L181 P182 F188 D191 M195 S491M170-Y174 WeakPolarHBondContact O-CB 3.31Å; M170-Y174 PolarHBondContact O-N 3.39Å; F172-Y174 VanDerWaalsContact C-N 3.33Å; F172-Y174 PolarHBondContact O-N 3.49Å; Y174-S176 VanDerWaalsContact C-N 3.31Å; Y174-S176 PolarHBondContact O-N 2.95Å; Y174-Y178 HydrophobicContact CD1-CD1 4.25Å; Y174-Y178 AromaticContact CD2-CD1 3.76Å; Y174-Y178 HydrophobicContact CD2-CD1 3.76Å; Y174-Y178 HydrophobicContact CD2-CE1 4.39Å; Y174-Y178 AromaticContact CE1-CD1 3.89Å; Y174-Y178 HydrophobicContact CE1-CD1 3.89Å; Y174-Y178 AromaticContact CE2-CD1 3.38Å; Y174-Y178 HydrophobicContact CE2-CD1 3.38Å; Y174-Y178 AromaticContact CE2-CE1 3.66Å; Y174-Y178 HydrophobicContact CE2-CE1 3.66Å; Y174-Y178 HydrophobicContact CG-CD1 4.17Å; Y174-Y178 AromaticContact CZ-CD1 3.44Å; Y174-Y178 VanDerWaalsContact CZ-CD1 3.44Å; Y174-Y178 AromaticContact CZ-CE1 3.76Å; Y174-Y178 CarbonylContact O-C 3.56Å; Y174-Y178 WeakPolarHBondContact O-CA 3.36Å; Y174-Y178 VanDerWaalsContact O-CB 3.28Å; Y174-Y178 WeakPolarHBondContact O-CB 3.44Å; Y174-Y178 PolarHBondContact O-N 3.24Å; Y174-A179 WeakPolarHBondContact CD1-O 3.46Å; Y174-A179 HydrophobicContact CE1-CB 3.88Å; Y174-A179 PolarHBondContact O-N 2.94Å; Y174-H180 WeakPolarHBondContact CE1-O 3.47Å; Y174-L181 HydrophobicContact CD1-CB 4.29Å; Y174-L181 HydrophobicContact CD1-CD1 3.59Å; Y174-L181 HydrophobicContact CE1-CD1 4.36Å; Y174-L181 HydrophobicContact CG-CD1 3.75Å; Y174-P182 HydrophobicContact CE1-CG 4.42Å; Y174-F188 HydrophobicContact CD2-CD2 4.09Å; Y174-F188 AromaticContact CD2-CE2 3.92Å; Y174-F188 HydrophobicContact CD2-CE2 3.92Å; Y174-F188 HydrophobicContact CE2-CD2 4.45Å; Y174-F188 HydrophobicContact CG-CD2 4.39Å; Y174-F188 HydrophobicContact CG-CE2 4.07Å; Y174-D191 HydrophobicContact CE2-CB 3.9Å; Y174-D191 PolarHBondContact OH-OD2 2.77Å; Y174-M195 HydrophobicContact CD2-CE 4.37Å; Y174-M195 HydrophobicContact CD2-SD 3.86Å; Y174-M195 HydrophobicContact CE2-SD 3.86Å; Y174-S491 PolarHBondContact OH-OG 3.5Å
175Q97.6Very high96.8Very high5 Ų525 Ų252%0.02312%0.115CC..Iπ-helixtrans-65-33.7-178.5178.74945.400112.8A65 R66 G134 A171 F172 A179 L181A65-Q175 HydrophobicContact CB-CB 4.12Å; A65-Q175 HydrophobicContact CB-CG 4.41Å; A65-Q175 VanDerWaalsContact O-CG 3.24Å; A65-Q175 WeakPolarHBondContact O-CG 3.47Å; R66-Q175 HydrophobicContact CG-CG 4.1Å; G134-Q175 PolarHBondContact N-O 3.09Å; A171-Q175 WeakPolarHBondContact O-CB 3.13Å; A171-Q175 PolarHBondContact O-N 3.32Å; F172-Q175 PolarHBondContact O-N 3.12Å; Q175-A179 WeakPolarHBondContact CA-O 3.22Å; Q175-L181 HydrophobicContact CB-CB 4.19Å
176S96.7Very high96.8Very high0 Ų025.3 Ų25.30%012%0.119CC..Iπ-helixtrans-86.1-40.9-173.8-58.20000112.6C132 R148 F172 L173 Y174C132-S176 VanDerWaalsContact O-O 3.07Å; R148-S176 PolarHBondContact NH1-O 3.24Å; F172-S176 WeakPolarHBondContact O-CB 3.45Å; F172-S176 PolarHBondContact O-N 2.64Å; F172-S176 PolarHBondContact O-OG 2.65Å; L173-S176 PolarHBondContact O-N 3.34Å; Y174-S176 VanDerWaalsContact C-N 3.31Å; Y174-S176 PolarHBondContact O-N 2.95Å
177F95.9Very high96.8Very high1 Ų125.8 Ų25.80%0.00412%0.122CC..Iπ-helixtrans-118.1-17.4-169.2-51.5-40.4000114.6I70 L73 L98 Y131 I147 R148 F151 L173I70-F177 HydrophobicContact CD1-CD2 4.49Å; I70-F177 HydrophobicContact CD1-CE2 3.67Å; I70-F177 HydrophobicContact CD1-CZ 3.79Å; L73-F177 HydrophobicContact CD2-CE2 4.04Å; L98-F177 HydrophobicContact CD1-CE1 4.5Å; L98-F177 HydrophobicContact CD1-CE2 4.47Å; L98-F177 HydrophobicContact CD1-CZ 3.65Å; Y131-F177 HydrophobicContact CD1-CE1 4.26Å; Y131-F177 HydrophobicContact CD2-CD1 4.22Å; Y131-F177 AromaticContact CD2-CE1 3.71Å; Y131-F177 HydrophobicContact CD2-CE1 3.71Å; Y131-F177 HydrophobicContact CE2-CE1 4.03Å; Y131-F177 AromaticContact CG-CE1 3.83Å; Y131-F177 HydrophobicContact CG-CE1 3.83Å; I147-F177 HydrophobicContact CB-CE1 4.43Å; I147-F177 HydrophobicContact CG1-CD1 4Å; I147-F177 HydrophobicContact CG1-CE1 3.71Å; I147-F177 HydrophobicContact CG1-CE2 4.25Å; I147-F177 HydrophobicContact CG1-CG 4.43Å; I147-F177 HydrophobicContact CG1-CZ 3.85Å; I147-F177 HydrophobicContact CG2-CD1 3.86Å; I147-F177 HydrophobicContact CG2-CE1 3.75Å; R148-F177 HydrophobicContact CG-CD1 4.49Å; F151-F177 HydrophobicContact CB-CB 3.75Å; F151-F177 HydrophobicContact CB-CG 4.43Å; F151-F177 HydrophobicContact CD1-CB 3.97Å; F151-F177 HydrophobicContact CD2-CB 4.3Å; F151-F177 HydrophobicContact CD2-CD2 4.25Å; F151-F177 HydrophobicContact CG-CB 3.73Å; F151-F177 HydrophobicContact CG-CD2 4.46Å; L173-F177 HydrophobicContact CD2-CD2 3.73Å; L173-F177 HydrophobicContact CD2-CE2 3.69Å; L173-F177 PolarHBondContact O-N 3.07Å
178Y95.1Very high96.8Very high2 Ų225.3 Ų25.31%0.00812%0.119CC..Iπ-helixtrans-105-76.9-175.3-168.2-115.2000112.3R148 F151 L155 Y174 M195 H494 K497 M498R148-Y178 PolarHBondContact NH2-O 3.38Å; F151-Y178 HydrophobicContact CD1-CD2 4.46Å; F151-Y178 HydrophobicContact CE1-CD2 4.08Å; F151-Y178 HydrophobicContact CE1-CG 4.26Å; L155-Y178 HydrophobicContact CD1-CD2 3.82Å; L155-Y178 HydrophobicContact CD1-CE2 3.65Å; Y174-Y178 HydrophobicContact CD1-CD1 4.25Å; Y174-Y178 AromaticContact CD2-CD1 3.76Å; Y174-Y178 HydrophobicContact CD2-CD1 3.76Å; Y174-Y178 HydrophobicContact CD2-CE1 4.39Å; Y174-Y178 AromaticContact CE1-CD1 3.89Å; Y174-Y178 HydrophobicContact CE1-CD1 3.89Å; Y174-Y178 AromaticContact CE2-CD1 3.38Å; Y174-Y178 HydrophobicContact CE2-CD1 3.38Å; Y174-Y178 AromaticContact CE2-CE1 3.66Å; Y174-Y178 HydrophobicContact CE2-CE1 3.66Å; Y174-Y178 HydrophobicContact CG-CD1 4.17Å; Y174-Y178 AromaticContact CZ-CD1 3.44Å; Y174-Y178 VanDerWaalsContact CZ-CD1 3.44Å; Y174-Y178 AromaticContact CZ-CE1 3.76Å; Y174-Y178 CarbonylContact O-C 3.56Å; Y174-Y178 WeakPolarHBondContact O-CA 3.36Å; Y174-Y178 VanDerWaalsContact O-CB 3.28Å; Y174-Y178 WeakPolarHBondContact O-CB 3.44Å; Y174-Y178 PolarHBondContact O-N 3.24Å; Y178-M195 HydrophobicContact CD1-CE 4.13Å; Y178-M195 HydrophobicContact CD1-SD 4.12Å; Y178-M195 HydrophobicContact CD2-CE 4.16Å; Y178-M195 HydrophobicContact CE1-CE 4.31Å; Y178-M195 HydrophobicContact CE1-CG 4.49Å; Y178-M195 HydrophobicContact CE1-SD 3.88Å; Y178-M195 HydrophobicContact CE2-CE 4.37Å; Y178-M195 HydrophobicContact CG-CE 4.04Å; Y178-H494 HydrophobicContact CE1-CB 4.05Å; Y178-H494 AromaticContact CE1-ND1 3.63Å; Y178-H494 AromaticContact CZ-ND1 3.57Å; Y178-H494 WeakPolarHBondContact OH-CA 3.42Å; Y178-H494 PolarHBondContact OH-ND1 2.71Å; Y178-H494 PolarHBondContact OH-O 2.85Å; Y178-K497 HydrophobicContact CD2-CD 3.77Å; Y178-K497 HydrophobicContact CE1-CD 4.39Å; Y178-K497 HydrophobicContact CE2-CB 3.84Å; Y178-K497 HydrophobicContact CE2-CD 3.52Å; Y178-K497 HydrophobicContact CE2-CG 4.31Å; Y178-K497 HydrophobicContact CG-CD 4.28Å; Y178-K497 WeakPolarHBondContact O-CE 3.03Å; Y178-K497 PolarHBondContact O-NZ 3Å; Y178-M498 PolarHBondContact OH-SD 2.63Å
179A95.3Very high96.8Very high0 Ų024.3 Ų24.30%012%0.115CC..SBendtrans-156.5176.3-173.800000110.4G134 Y174 Q175 L181 A493G134-A179 WeakPolarHBondContact O-CA 3.38Å; Y174-A179 WeakPolarHBondContact CD1-O 3.46Å; Y174-A179 HydrophobicContact CE1-CB 3.88Å; Y174-A179 PolarHBondContact O-N 2.94Å; Q175-A179 WeakPolarHBondContact CA-O 3.22Å; A179-L181 PolarHBondContact O-N 3.36Å; A179-A493 HydrophobicContact CB-CB 3.98Å
180H95.8Very high96.7Very high83 Ų8323.6 Ų23.638%0.38411%0.111SC..SBendtrans-59124.4167.3-79.8-52.9000110.5N135 Y174N135-H180 VanDerWaalsContact CG-CD2 3.47Å; N135-H180 PolarHBondContact ND2-CD2 3.31Å; N135-H180 PolarHBondContact OD1-N 3.44Å; Y174-H180 WeakPolarHBondContact CE1-O 3.47Å
181L96.5Very high96.7Very high5 Ų523.3 Ų23.33%0.02611%0.11CC..PPolyproline II helixtrans-59131-178.5-167.567.4000110.5W62 A65 A171 Y174 Q175 A179 F188W62-L181 HydrophobicContact CB-CD2 4.02Å; W62-L181 VanDerWaalsContact CD1-CD2 3.44Å; W62-L181 HydrophobicContact CG-CD2 3.93Å; W62-L181 HydrophobicContact CG-CG 4.47Å; W62-L181 PolarHBondContact NE1-O 3.23Å; A65-L181 HydrophobicContact CB-CD2 4.11Å; A171-L181 HydrophobicContact CB-CD1 4.45Å; A171-L181 HydrophobicContact CB-CD2 4.09Å; Y174-L181 HydrophobicContact CD1-CB 4.29Å; Y174-L181 HydrophobicContact CD1-CD1 3.59Å; Y174-L181 HydrophobicContact CE1-CD1 4.36Å; Y174-L181 HydrophobicContact CG-CD1 3.75Å; Q175-L181 HydrophobicContact CB-CB 4.19Å; A179-L181 PolarHBondContact O-N 3.36Å; L181-F188 HydrophobicContact CD1-CD2 3.55Å; L181-F188 HydrophobicContact CD1-CE2 3.51Å; L181-F188 HydrophobicContact CD1-CG 4.4Å; L181-F188 HydrophobicContact CD1-CZ 4.32Å
182P96.9Very high96.6Very high13 Ų1323.5 Ų23.58%0.08411%0.111CC..PPolyproline II helixtrans-63.1140.5178.1-2334.8000111.6Y58 W62 Y174 R184 T187 F188Y58-P182 WeakPolarHBondContact CE1-O 3.4Å; Y58-P182 PolarHBondContact OH-O 2.97Å; W62-P182 PolarHBondContact NE1-O 3.43Å; Y174-P182 HydrophobicContact CE1-CG 4.42Å; P182-R184 VanDerWaalsContact C-N 3.31Å; P182-R184 PolarHBondContact O-N 3.33Å; P182-T187 HydrophobicContact CB-CG2 3.64Å; P182-T187 HydrophobicContact CG-CG2 3.96Å; P182-F188 HydrophobicContact CB-CB 4.35Å; P182-F188 HydrophobicContact CG-CB 4.25Å
183E94.9Very high96.5Very high145 Ų14524.6 Ų24.668%0.67812%0.118SC*.SBendtrans-71.4-27.6-179.9-170.5178.8178.100113
184R95.4Very high96.3Very high143 Ų14327.2 Ų27.254%0.5413%0.13SC..SBendtrans-97.1130.1-179.7-58.9-175.3-56.2165.66110.8P182 T186 T187 F188P182-R184 VanDerWaalsContact C-N 3.31Å; P182-R184 PolarHBondContact O-N 3.33Å; R184-T186 VanDerWaalsContact C-N 3.26Å; R184-T186 PolarHBondContact O-N 2.71Å; R184-T187 PolarHBondContact NE-OG1 2.87Å; R184-T187 PolarHBondContact NH2-OG1 3.47Å; R184-T187 WeakPolarHBondContact O-CB 3.34Å; R184-T187 PolarHBondContact O-N 2.95Å; R184-F188 PolarHBondContact O-N 3.35Å; R184-F188 VanDerWaalsContact O-N 3.16Å
185L96.2Very high96.2Very high10 Ų1027.2 Ų27.25%0.05213%0.13CC..Hα-helixtrans-53.1-44.7176.917661.2000111.9I54 E55 Y58 T187 F188 T189 L480I54-L185 HydrophobicContact CB-CD2 4.42Å; I54-L185 HydrophobicContact CG2-CD2 3.59Å; E55-L185 VanDerWaalsContact OE2-CB 3.24Å; E55-L185 WeakPolarHBondContact OE2-CB 3.42Å; Y58-L185 HydrophobicContact CD1-CB 3.74Å; Y58-L185 HydrophobicContact CD1-CD1 4.38Å; Y58-L185 HydrophobicContact CD2-CD1 3.64Å; Y58-L185 HydrophobicContact CE1-CB 4.31Å; Y58-L185 HydrophobicContact CE2-CD1 4.21Å; Y58-L185 HydrophobicContact CG-CB 3.86Å; Y58-L185 HydrophobicContact CG-CD1 3.73Å; Y58-L185 HydrophobicContact CG-CG 4.33Å; L185-T187 VanDerWaalsContact C-N 3.25Å; L185-T187 PolarHBondContact O-N 3.29Å; L185-F188 HydrophobicContact CD1-CD1 4.36Å; L185-F188 WeakPolarHBondContact O-CB 3.43Å; L185-F188 PolarHBondContact O-N 3.49Å; L185-F188 VanDerWaalsContact O-N 3.1Å; L185-T189 HydrophobicContact CD1-CG2 3.87Å; L185-T189 HydrophobicContact CG-CG2 4.25Å; L185-T189 WeakPolarHBondContact O-CG2 3.27Å; L185-T189 PolarHBondContact O-N 2.99Å; L185-T189 PolarHBondContact O-OG1 2.8Å; L185-L480 HydrophobicContact CD1-CD2 4.17Å; L185-L480 HydrophobicContact CD2-CD1 4.2Å
186T96.1Very high96.1Very high55 Ų5527.4 Ų27.434%0.33713%0.131SC..Hα-helixtrans-60.8-31-179.853.60000114R184 T189 A190R184-T186 VanDerWaalsContact C-N 3.26Å; R184-T186 PolarHBondContact O-N 2.71Å; T186-T189 PolarHBondContact O-OG1 2.74Å; T186-A190 WeakPolarHBondContact O-CB 3.41Å; T186-A190 PolarHBondContact O-N 3.39Å
187T96.8Very high95.9Very high11 Ų1130.9 Ų30.97%0.06715%0.154CC..Hα-helixtrans-75.9-42.3175.4-55.50000110P182 R184 L185 A190 D191 K489P182-T187 HydrophobicContact CB-CG2 3.64Å; P182-T187 HydrophobicContact CG-CG2 3.96Å; R184-T187 PolarHBondContact NE-OG1 2.87Å; R184-T187 PolarHBondContact NH2-OG1 3.47Å; R184-T187 WeakPolarHBondContact O-CB 3.34Å; R184-T187 PolarHBondContact O-N 2.95Å; L185-T187 VanDerWaalsContact C-N 3.25Å; L185-T187 PolarHBondContact O-N 3.29Å; T187-A190 PolarHBondContact O-N 2.83Å; T187-D191 VanDerWaalsContact O-CG 3.28Å; T187-D191 PolarHBondContact O-N 3.41Å; T187-K489 WeakPolarHBondContact CG2-O 3.32Å
188F97.4Very high95.8Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-62.4-44.9175.7174-116.7000113.1Y58 L167 M170 A171 Y174 L181 P182 R184 L185 A190 D191 L192Y58-F188 HydrophobicContact CD2-CD1 4.16Å; Y58-F188 HydrophobicContact CE2-CB 4.11Å; Y58-F188 AromaticContact CE2-CD1 3.32Å; Y58-F188 HydrophobicContact CE2-CD1 3.32Å; Y58-F188 AromaticContact CE2-CE1 3.79Å; Y58-F188 HydrophobicContact CE2-CE1 3.79Å; Y58-F188 AromaticContact CE2-CG 3.79Å; Y58-F188 HydrophobicContact CE2-CG 3.79Å; Y58-F188 AromaticContact CZ-CD1 3.87Å; Y58-F188 AromaticContact CZ-CG 3.86Å; Y58-F188 WeakPolarHBondContact OH-CB 3.49Å; Y58-F188 WeakPolarHBondContact OH-CG 3.46Å; L167-F188 HydrophobicContact CD1-CE1 4.2Å; M170-F188 HydrophobicContact CB-CZ 4.19Å; A171-F188 HydrophobicContact CB-CZ 4.22Å; Y174-F188 HydrophobicContact CD2-CD2 4.09Å; Y174-F188 AromaticContact CD2-CE2 3.92Å; Y174-F188 HydrophobicContact CD2-CE2 3.92Å; Y174-F188 HydrophobicContact CE2-CD2 4.45Å; Y174-F188 HydrophobicContact CG-CD2 4.39Å; Y174-F188 HydrophobicContact CG-CE2 4.07Å; L181-F188 HydrophobicContact CD1-CD2 3.55Å; L181-F188 HydrophobicContact CD1-CE2 3.51Å; L181-F188 HydrophobicContact CD1-CG 4.4Å; L181-F188 HydrophobicContact CD1-CZ 4.32Å; P182-F188 HydrophobicContact CB-CB 4.35Å; P182-F188 HydrophobicContact CG-CB 4.25Å; R184-F188 PolarHBondContact O-N 3.35Å; R184-F188 VanDerWaalsContact O-N 3.16Å; L185-F188 HydrophobicContact CD1-CD1 4.36Å; L185-F188 WeakPolarHBondContact O-CB 3.43Å; L185-F188 PolarHBondContact O-N 3.49Å; L185-F188 VanDerWaalsContact O-N 3.1Å; F188-A190 VanDerWaalsContact C-N 3.33Å; F188-A190 PolarHBondContact O-N 3.21Å; F188-D191 PolarHBondContact O-N 3Å; F188-L192 HydrophobicContact CD1-CD1 4.1Å; F188-L192 HydrophobicContact CD2-CD1 4.41Å; F188-L192 HydrophobicContact CD2-CG 4.18Å; F188-L192 HydrophobicContact CE1-CD1 3.53Å; F188-L192 HydrophobicContact CE1-CG 4.33Å; F188-L192 HydrophobicContact CE2-CD1 3.87Å; F188-L192 HydrophobicContact CE2-CD2 3.98Å; F188-L192 HydrophobicContact CE2-CG 3.82Å; F188-L192 HydrophobicContact CZ-CD1 3.42Å; F188-L192 VanDerWaalsContact CZ-CD1 3.42Å; F188-L192 HydrophobicContact CZ-CD2 4.2Å; F188-L192 HydrophobicContact CZ-CG 3.93Å; F188-L192 WeakPolarHBondContact O-CG 3.48Å; F188-L192 PolarHBondContact O-N 3.29Å
189T97Very high95.9Very high11 Ų1132.3 Ų32.37%0.06717%0.166CC..Hα-helixtrans-67.2-34.1177.256.70000112.4L185 T186 S193 L480L185-T189 HydrophobicContact CD1-CG2 3.87Å; L185-T189 HydrophobicContact CG-CG2 4.25Å; L185-T189 WeakPolarHBondContact O-CG2 3.27Å; L185-T189 PolarHBondContact O-N 2.99Å; L185-T189 PolarHBondContact O-OG1 2.8Å; T186-T189 PolarHBondContact O-OG1 2.74Å; T189-S193 WeakPolarHBondContact O-CB 3.43Å; T189-S193 PolarHBondContact O-N 3.45Å; T189-S193 PolarHBondContact O-OG 3.42Å; T189-L480 HydrophobicContact CG2-CD1 4.41Å; T189-L480 HydrophobicContact CG2-CD2 4.29Å
190A96.8Very high96Very high0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-62.8-49172.700000110.8T186 T187 F188 S193 E194 K484 A488T186-A190 WeakPolarHBondContact O-CB 3.41Å; T186-A190 PolarHBondContact O-N 3.39Å; T187-A190 PolarHBondContact O-N 2.83Å; F188-A190 VanDerWaalsContact C-N 3.33Å; F188-A190 PolarHBondContact O-N 3.21Å; A190-S193 PolarHBondContact O-N 3.16Å; A190-S193 PolarHBondContact O-OG 3.19Å; A190-E194 PolarHBondContact O-N 2.82Å; A190-K484 HydrophobicContact CB-CB 4.12Å; A190-K484 HydrophobicContact CB-CD 4.44Å; A190-K484 HydrophobicContact CB-CG 3.92Å; A190-A488 HydrophobicContact CB-CB 4.21Å
191D97.2Very high96.1Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-58.6-50.6177.4-67.8-7000110.6Y174 T187 F188 S193 E194 M195 S490 S491 H494Y174-D191 HydrophobicContact CE2-CB 3.9Å; Y174-D191 PolarHBondContact OH-OD2 2.77Å; T187-D191 VanDerWaalsContact O-CG 3.28Å; T187-D191 PolarHBondContact O-N 3.41Å; F188-D191 PolarHBondContact O-N 3Å; D191-S193 VanDerWaalsContact C-N 3.35Å; D191-S193 PolarHBondContact O-N 3.26Å; D191-E194 PolarHBondContact O-N 3Å; D191-E194 VanDerWaalsContact O-N 3.12Å; D191-M195 VanDerWaalsContact O-CG 3.24Å; D191-M195 WeakPolarHBondContact O-CG 3.42Å; D191-M195 PolarHBondContact O-N 2.87Å; D191-S490 WeakPolarHBondContact OD1-CA 3.34Å; D191-S490 WeakPolarHBondContact OD1-CB 3.41Å; D191-S491 PolarHBondContact OD1-N 3.47Å; D191-S491 WeakPolarHBondContact OD2-CB 3.39Å; D191-S491 PolarHBondContact OD2-N 3.5Å; D191-S491 PolarHBondContact OD2-OG 3.22Å; D191-H494 HydrophobicContact CB-CB 4.26Å; D191-H494 PolarHBondContact O-CE1 2.87Å; D191-H494 IonicContact OD1-CD2 3.97Å; D191-H494 IonicContact OD1-CG 2.78Å
192L96.9Very high96.2Very high4 Ų428.3 Ų28.32%0.02115%0.147CC..Hα-helixtrans-57.8-42.9178.1-73.4-176.3000113.3M170 F188 E194 M195 F196 I200 V482M170-L192 HydrophobicContact CB-CD1 4.35Å; M170-L192 HydrophobicContact CB-CD2 4.42Å; M170-L192 HydrophobicContact CE-CD1 4.17Å; M170-L192 HydrophobicContact SD-CD1 3.81Å; M170-L192 HydrophobicContact SD-CD2 4.38Å; F188-L192 HydrophobicContact CD1-CD1 4.1Å; F188-L192 HydrophobicContact CD2-CD1 4.41Å; F188-L192 HydrophobicContact CD2-CG 4.18Å; F188-L192 HydrophobicContact CE1-CD1 3.53Å; F188-L192 HydrophobicContact CE1-CG 4.33Å; F188-L192 HydrophobicContact CE2-CD1 3.87Å; F188-L192 HydrophobicContact CE2-CD2 3.98Å; F188-L192 HydrophobicContact CE2-CG 3.82Å; F188-L192 HydrophobicContact CZ-CD1 3.42Å; F188-L192 VanDerWaalsContact CZ-CD1 3.42Å; F188-L192 HydrophobicContact CZ-CD2 4.2Å; F188-L192 HydrophobicContact CZ-CG 3.93Å; F188-L192 WeakPolarHBondContact O-CG 3.48Å; F188-L192 PolarHBondContact O-N 3.29Å; L192-E194 PolarHBondContact O-N 3.09Å; L192-M195 HydrophobicContact CD2-SD 4.09Å; L192-M195 PolarHBondContact O-N 3.35Å; L192-F196 HydrophobicContact CD2-CE2 4.19Å; L192-F196 PolarHBondContact O-N 3.16Å; L192-I200 HydrophobicContact CB-CD1 4.17Å; L192-V482 HydrophobicContact CB-CG1 3.63Å; L192-V482 HydrophobicContact CD1-CG1 4.44Å
193S95.3Very high96.3Very high23 Ų2327.7 Ų27.716%0.16114%0.143CC..Hα-helixtrans-63-32179.771.70000112.3T189 A190 D191 K484T189-S193 WeakPolarHBondContact O-CB 3.43Å; T189-S193 PolarHBondContact O-N 3.45Å; T189-S193 PolarHBondContact O-OG 3.42Å; A190-S193 PolarHBondContact O-N 3.16Å; A190-S193 PolarHBondContact O-OG 3.19Å; D191-S193 VanDerWaalsContact C-N 3.35Å; D191-S193 PolarHBondContact O-N 3.26Å; S193-K484 WeakPolarHBondContact OG-CB 3.27Å; S193-K484 PolarHBondContact OG-N 3.44Å
194E94.7Very high96.4Very high59 Ų5922.3 Ų22.328%0.27612%0.118SC..Hα-helixtrans-83.3-28.1175.8-70.3-179.7161.200112.4A190 D191 L192 K484 S490 H494 W502A190-E194 PolarHBondContact O-N 2.82Å; D191-E194 PolarHBondContact O-N 3Å; D191-E194 VanDerWaalsContact O-N 3.12Å; L192-E194 PolarHBondContact O-N 3.09Å; E194-K484 HydrophobicContact CG-CD 4.33Å; E194-K484 WeakPolarHBondContact OE1-CD 3.47Å; E194-K484 WeakPolarHBondContact OE1-CE 3.43Å; E194-K484 IonicContact OE1-NZ 3.77Å; E194-K484 PolarHBondContact OE1-NZ 3.2Å; E194-S490 VanDerWaalsContact CD-OG 3.3Å; E194-S490 PolarHBondContact OE1-OG 3.26Å; E194-S490 WeakPolarHBondContact OE2-CB 3.15Å; E194-S490 PolarHBondContact OE2-OG 3.11Å; E194-H494 WeakPolarHBondContact CB-NE2 3.46Å; E194-H494 IonicContact OE2-CD2 3.8Å; E194-H494 PolarHBondContact OE2-CD2 2.91Å; E194-H494 IonicContact OE2-CE1 3.28Å; E194-H494 IonicContact OE2-NE2 2.83Å; E194-H494 PolarHBondContact OE2-NE2 2.87Å; E194-W502 WeakPolarHBondContact O-CH2 3.43Å; E194-W502 WeakPolarHBondContact O-CZ3 3.31Å
195M95Very high96.5Very high2 Ų216.4 Ų16.41%0.0110%0.096CC..Hα-helixtrans-68-34.6178.1-74.3169.169.800112.7F151 L155 Y174 Y178 D191 L192 P197 M498F151-M195 HydrophobicContact CE1-CE 3.83Å; F151-M195 HydrophobicContact CZ-CE 3.9Å; L155-M195 HydrophobicContact CD1-CE 4.15Å; L155-M195 HydrophobicContact CD2-CB 4.03Å; L155-M195 HydrophobicContact CD2-CE 3.9Å; Y174-M195 HydrophobicContact CD2-CE 4.37Å; Y174-M195 HydrophobicContact CD2-SD 3.86Å; Y174-M195 HydrophobicContact CE2-SD 3.86Å; Y178-M195 HydrophobicContact CD1-CE 4.13Å; Y178-M195 HydrophobicContact CD1-SD 4.12Å; Y178-M195 HydrophobicContact CD2-CE 4.16Å; Y178-M195 HydrophobicContact CE1-CE 4.31Å; Y178-M195 HydrophobicContact CE1-CG 4.49Å; Y178-M195 HydrophobicContact CE1-SD 3.88Å; Y178-M195 HydrophobicContact CE2-CE 4.37Å; Y178-M195 HydrophobicContact CG-CE 4.04Å; D191-M195 VanDerWaalsContact O-CG 3.24Å; D191-M195 WeakPolarHBondContact O-CG 3.42Å; D191-M195 PolarHBondContact O-N 2.87Å; L192-M195 HydrophobicContact CD2-SD 4.09Å; L192-M195 PolarHBondContact O-N 3.35Å; M195-P197 WeakPolarHBondContact O-CD 3.22Å; M195-M498 HydrophobicContact CG-SD 4.37Å
196F95.4Very high96.5Very high8 Ų816 Ų164%0.0359%0.093CC..  trans-124.481.3-171.5-59-73000111.2F151 L154 L155 L161 L192 A198 G199 I200F151-F196 HydrophobicContact CZ-CZ 4.43Å; L154-F196 HydrophobicContact CD2-CE1 3.66Å; L154-F196 HydrophobicContact CD2-CZ 4.46Å; L155-F196 HydrophobicContact CD2-CD1 4.28Å; L155-F196 HydrophobicContact CD2-CE1 3.55Å; L155-F196 HydrophobicContact CD2-CE2 4.38Å; L155-F196 HydrophobicContact CD2-CZ 3.61Å; L161-F196 HydrophobicContact CB-CD1 3.86Å; L161-F196 HydrophobicContact CB-CE1 4.2Å; L161-F196 HydrophobicContact CB-CG 4.21Å; L161-F196 HydrophobicContact CD2-CD1 4.05Å; L161-F196 HydrophobicContact CD2-CD2 4.04Å; L161-F196 HydrophobicContact CD2-CE1 3.76Å; L161-F196 HydrophobicContact CD2-CE2 3.75Å; L161-F196 HydrophobicContact CD2-CG 4.18Å; L161-F196 HydrophobicContact CD2-CZ 3.61Å; L161-F196 HydrophobicContact CG-CE1 4.42Å; L192-F196 HydrophobicContact CD2-CE2 4.19Å; L192-F196 PolarHBondContact O-N 3.16Å; F196-A198 VanDerWaalsContact C-N 3.31Å; F196-A198 PolarHBondContact O-N 3.18Å; F196-G199 WeakPolarHBondContact O-CA 3.45Å; F196-G199 PolarHBondContact O-N 3.46Å; F196-I200 HydrophobicContact CB-CD1 4.29Å; F196-I200 HydrophobicContact CB-CG1 3.75Å; F196-I200 HydrophobicContact CD2-CD1 3.73Å; F196-I200 HydrophobicContact CD2-CG1 3.99Å; F196-I200 HydrophobicContact CG-CD1 4.33Å; F196-I200 HydrophobicContact CG-CG1 4.08Å
197P93.6Very high96.4Very high73 Ų7313.3 Ų13.347%0.4748%0.077SC..THydrogen-bonded Turntrans-73.5-25-169.829.8-30.6000112.5R158 M195 G199 W502R158-P197 HydrophobicContact CB-CG 4Å; R158-P197 HydrophobicContact CG-CG 4.04Å; M195-P197 WeakPolarHBondContact O-CD 3.22Å; P197-G199 PolarHBondContact O-N 3.46Å; P197-W502 HydrophobicContact CB-CH2 4.4Å; P197-W502 HydrophobicContact CG-CH2 3.72Å; P197-W502 HydrophobicContact CG-CZ2 4.08Å
198A94.5Very high96.3Very high33 Ų3314.7 Ų14.727%0.2738%0.083SC..THydrogen-bonded Turntrans-77.5-0.1171.500000113.3R158 A160 F196 Y201R158-A198 WeakPolarHBondContact O-CB 3.34Å; A160-A198 HydrophobicContact CB-CB 4.26Å; F196-A198 VanDerWaalsContact C-N 3.31Å; F196-A198 PolarHBondContact O-N 3.18Å; A198-Y201 PolarHBondContact O-OH 3.05Å
199G95.9Very high96Very high0 Ų018 Ų180%010%0.097CC..  trans93.3160.417600000114.8L161 F196 P197 N469L161-G199 PolarHBondContact N-O 2.96Å; F196-G199 WeakPolarHBondContact O-CA 3.45Å; F196-G199 PolarHBondContact O-N 3.46Å; P197-G199 PolarHBondContact O-N 3.46Å; G199-N469 WeakPolarHBondContact CA-OD1 3.4Å
200I98.1Very high95.7Very high0 Ų020.7 Ų20.70%011%0.109CC..EExtended strand (participates in β ladder)trans-112132.7174.6-49.7175.5000108.9L161 L163 M170 L192 F196 N469 I471 V482L161-I200 HydrophobicContact CD2-CG2 4.3Å; L161-I200 HydrophobicContact CG-CG2 4.46Å; L161-I200 CarbonylContact O-C 3.6Å; L161-I200 WeakPolarHBondContact O-CA 3.25Å; L163-I200 HydrophobicContact CD1-CG2 4.18Å; M170-I200 HydrophobicContact SD-CD1 3.82Å; M170-I200 HydrophobicContact SD-CG2 3.92Å; L192-I200 HydrophobicContact CB-CD1 4.17Å; F196-I200 HydrophobicContact CB-CD1 4.29Å; F196-I200 HydrophobicContact CB-CG1 3.75Å; F196-I200 HydrophobicContact CD2-CD1 3.73Å; F196-I200 HydrophobicContact CD2-CG1 3.99Å; F196-I200 HydrophobicContact CG-CD1 4.33Å; F196-I200 HydrophobicContact CG-CG1 4.08Å; I200-N469 PolarHBondContact N-OD1 3.37Å; I200-N469 WeakPolarHBondContact O-CA 3.29Å; I200-N469 PolarHBondContact O-N 2.89Å; I200-I471 HydrophobicContact CB-CD1 4.34Å; I200-I471 HydrophobicContact CG2-CD1 3.65Å; I200-V482 HydrophobicContact CD1-CG1 4.1Å
201Y98.3Very high95.5Very high3 Ų322 Ų221%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-123.5122-177.2-59.1-86.8000110.4A160 L161 V162 L163 A198 F437 W463 L464 C467 I468A160-Y201 HydrophobicContact CB-CD2 4.1Å; A160-Y201 HydrophobicContact CB-CE2 3.73Å; L161-Y201 PolarHBondContact O-N 3.1Å; V162-Y201 WeakPolarHBondContact CA-O 3.02Å; L163-Y201 PolarHBondContact N-O 2.88Å; A198-Y201 PolarHBondContact O-OH 3.05Å; Y201-F437 VanDerWaalsContact CB-CE2 3.47Å; Y201-F437 AromaticContact CD1-CE2 3.6Å; Y201-F437 HydrophobicContact CD1-CE2 3.6Å; Y201-F437 HydrophobicContact CD1-CZ 4.05Å; Y201-F437 AromaticContact CD2-CE2 3.91Å; Y201-F437 HydrophobicContact CD2-CE2 3.91Å; Y201-F437 AromaticContact CD2-CZ 3.7Å; Y201-F437 HydrophobicContact CD2-CZ 3.7Å; Y201-F437 HydrophobicContact CE1-CE2 4.35Å; Y201-F437 HydrophobicContact CE1-CZ 4.44Å; Y201-F437 HydrophobicContact CE2-CZ 4.14Å; Y201-F437 HydrophobicContact CG-CD2 4.33Å; Y201-F437 AromaticContact CG-CE2 3.35Å; Y201-F437 HydrophobicContact CG-CE2 3.35Å; Y201-F437 AromaticContact CG-CZ 3.65Å; Y201-F437 HydrophobicContact CG-CZ 3.65Å; Y201-W463 HydrophobicContact CE1-CB 4.24Å; Y201-W463 WeakPolarHBondContact CE1-O 3.25Å; Y201-W463 HydrophobicContact CE2-CB 4.15Å; Y201-W463 PolarHBondContact OH-O 2.74Å; Y201-L464 HydrophobicContact CE1-CB 4.43Å; Y201-C467 HydrophobicContact CD1-CB 4.23Å; Y201-I468 HydrophobicContact CE1-CB 3.83Å; Y201-I468 HydrophobicContact CE1-CG1 4.16Å; Y201-I468 WeakPolarHBondContact OH-CG1 3.46Å
202D98.4Very high95.3Very high1 Ų129.1 Ų29.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-98.7109.6174.8-168.5-36.1000110.2L163 N165 G166 K204 Y205 V206 K470 I471 Y472L163-D202 CarbonylContact O-C 3.58Å; L163-D202 WeakPolarHBondContact O-CA 3.45Å; N165-D202 VanDerWaalsContact CA-OD2 3.3Å; N165-D202 WeakPolarHBondContact CA-OD2 3.33Å; N165-D202 PolarHBondContact N-OD1 3.16Å; N165-D202 PolarHBondContact N-OD2 3.38Å; G166-D202 PolarHBondContact N-OD2 3.26Å; D202-K204 PolarHBondContact O-N 2.83Å; D202-K204 VanDerWaalsContact OD1-CB 3.27Å; D202-K204 WeakPolarHBondContact OD1-CB 3.31Å; D202-K204 PolarHBondContact OD1-N 2.99Å; D202-Y205 WeakPolarHBondContact O-CA 3.41Å; D202-Y205 VanDerWaalsContact O-CB 3.32Å; D202-Y205 WeakPolarHBondContact O-CB 3.47Å; D202-Y205 PolarHBondContact O-N 2.72Å; D202-V206 WeakPolarHBondContact O-CG2 3.32Å; D202-V206 PolarHBondContact O-N 3.3Å; D202-K470 WeakPolarHBondContact CB-O 3.15Å; D202-I471 HydrophobicContact CB-CD1 4.27Å; D202-Y472 WeakPolarHBondContact OD2-CB 3.14Å; D202-Y472 PolarHBondContact OD2-N 3.4Å
203T98.2Very high95.1Very high0 Ų029.6 Ų29.60%015%0.145CC..Hα-helixtrans-67.6-20.3-177.457.20000113.4V162 L163 H164 V206 T207 T433 I436 F437V162-T203 HydrophobicContact CG1-CG2 3.54Å; L163-T203 PolarHBondContact O-N 2.98Å; L163-T203 PolarHBondContact O-OG1 2.77Å; L163-T203 VanDerWaalsContact O-OG1 3.05Å; H164-T203 WeakPolarHBondContact CA-OG1 3.39Å; H164-T203 VanDerWaalsContact CB-OG1 3.31Å; H164-T203 WeakPolarHBondContact CB-OG1 3.38Å; H164-T203 PolarHBondContact ND1-OG1 2.93Å; T203-V206 PolarHBondContact O-N 3.45Å; T203-T207 WeakPolarHBondContact O-CB 3.45Å; T203-T207 WeakPolarHBondContact O-CG2 3.48Å; T203-T207 PolarHBondContact O-N 3.31Å; T203-T207 PolarHBondContact O-OG1 3.15Å; T203-T433 HydrophobicContact CG2-CG2 4.12Å; T203-T433 WeakPolarHBondContact CG2-O 3.48Å; T203-I436 HydrophobicContact CG2-CB 4.36Å; T203-I436 HydrophobicContact CG2-CG2 4.19Å; T203-F437 HydrophobicContact CG2-CB 3.91Å
204K97.3Very high94.9Very high33 Ų3331.2 Ų31.214%0.14315%0.154CC..Hα-helixtrans-69.5-38.2170.5-168.3163.6-173.4172.20111.1H164 N165 D202 T207 E208 Y472H164-K204 PolarHBondContact ND1-N 3.04Å; N165-K204 HydrophobicContact CB-CB 4.34Å; N165-K204 HydrophobicContact CB-CD 3.73Å; D202-K204 PolarHBondContact O-N 2.83Å; D202-K204 VanDerWaalsContact OD1-CB 3.27Å; D202-K204 WeakPolarHBondContact OD1-CB 3.31Å; D202-K204 PolarHBondContact OD1-N 2.99Å; K204-T207 WeakPolarHBondContact CA-OG1 3.48Å; K204-T207 PolarHBondContact O-OG1 2.65Å; K204-T207 VanDerWaalsContact O-OG1 3.08Å; K204-E208 VanDerWaalsContact O-CB 3.32Å; K204-E208 WeakPolarHBondContact O-CB 3.16Å; K204-E208 PolarHBondContact O-N 3.42Å; K204-E208 VanDerWaalsContact O-N 3.15Å; K204-Y472 HydrophobicContact CB-CD1 4.31Å; K204-Y472 HydrophobicContact CB-CD2 4.44Å; K204-Y472 HydrophobicContact CB-CG 4.01Å; K204-Y472 HydrophobicContact CD-CD1 3.56Å; K204-Y472 HydrophobicContact CD-CE1 3.66Å; K204-Y472 HydrophobicContact CD-CG 4.1Å; K204-Y472 HydrophobicContact CG-CD1 3.78Å; K204-Y472 HydrophobicContact CG-CD2 4.05Å; K204-Y472 HydrophobicContact CG-CE1 3.97Å; K204-Y472 HydrophobicContact CG-CE2 4.23Å; K204-Y472 HydrophobicContact CG-CG 3.79Å
205Y96.7Very high94.8Very high19 Ų1928.6 Ų28.68%0.07514%0.143CC..Hα-helixtrans-64.7-49.4170.9-178.1-96000111.1D202 T207 E208 F209 K470 P479D202-Y205 WeakPolarHBondContact O-CA 3.41Å; D202-Y205 VanDerWaalsContact O-CB 3.32Å; D202-Y205 WeakPolarHBondContact O-CB 3.47Å; D202-Y205 PolarHBondContact O-N 2.72Å; Y205-T207 VanDerWaalsContact C-N 3.33Å; Y205-T207 PolarHBondContact O-N 2.86Å; Y205-E208 PolarHBondContact O-N 2.9Å; Y205-F209 AromaticContact CD2-CD2 3.23Å; Y205-F209 HydrophobicContact CD2-CD2 3.23Å; Y205-F209 AromaticContact CD2-CE2 3.53Å; Y205-F209 HydrophobicContact CD2-CE2 3.53Å; Y205-F209 HydrophobicContact CD2-CG 4.07Å; Y205-F209 HydrophobicContact CE1-CB 4.39Å; Y205-F209 HydrophobicContact CE2-CB 4.2Å; Y205-F209 HydrophobicContact CE2-CD1 4.35Å; Y205-F209 AromaticContact CE2-CD2 3.3Å; Y205-F209 HydrophobicContact CE2-CD2 3.3Å; Y205-F209 AromaticContact CE2-CE2 3.64Å; Y205-F209 HydrophobicContact CE2-CE2 3.64Å; Y205-F209 AromaticContact CE2-CG 3.69Å; Y205-F209 HydrophobicContact CE2-CG 3.69Å; Y205-F209 HydrophobicContact CE2-CZ 4.3Å; Y205-F209 AromaticContact CG-CD2 3.94Å; Y205-F209 HydrophobicContact CG-CD2 3.94Å; Y205-F209 WeakPolarHBondContact O-CB 3.39Å; Y205-F209 WeakPolarHBondContact O-CD2 3.43Å; Y205-F209 PolarHBondContact O-N 3.33Å; Y205-K470 HydrophobicContact CD1-CB 4.06Å; Y205-K470 HydrophobicContact CE1-CB 3.97Å; Y205-K470 HydrophobicContact CE1-CD 3.65Å; Y205-K470 HydrophobicContact CE1-CG 4.5Å; Y205-K470 HydrophobicContact CG-CB 4.42Å; Y205-K470 WeakPolarHBondContact OH-CD 3.48Å; Y205-P479 HydrophobicContact CD2-CB 3.84Å; Y205-P479 HydrophobicContact CD2-CG 4.27Å; Y205-P479 HydrophobicContact CE2-CB 3.72Å; Y205-P479 HydrophobicContact CE2-CG 3.61Å
206V96.2Very high94.8Very high0 Ų029.2 Ų29.20%015%0.147CC..Iπ-helixtrans-55.7-47.6178.6176.60000111.3D202 T203 E208 E210 L211 A440 L464 C467D202-V206 WeakPolarHBondContact O-CG2 3.32Å; D202-V206 PolarHBondContact O-N 3.3Å; T203-V206 PolarHBondContact O-N 3.45Å; V206-E208 PolarHBondContact O-N 3.11Å; V206-E210 HydrophobicContact CG1-CB 4.45Å; V206-E210 WeakPolarHBondContact O-CA 3.48Å; V206-E210 VanDerWaalsContact O-CB 3.32Å; V206-E210 WeakPolarHBondContact O-CB 3.27Å; V206-E210 PolarHBondContact O-N 3.47Å; V206-L211 HydrophobicContact CG1-CG 4.35Å; V206-L211 PolarHBondContact O-N 3.38Å; V206-A440 HydrophobicContact CG1-CB 3.47Å; V206-A440 VanDerWaalsContact CG1-CB 3.47Å; V206-L464 HydrophobicContact CG1-CD1 4.13Å; V206-L464 HydrophobicContact CG2-CD1 4.24Å; V206-C467 HydrophobicContact CG2-CB 4.07Å
207T95.5Very high94.7Very high0 Ų030 Ų300%015%0.15CC..Iπ-helixtrans-68.7-34.9-17752.10000113.2T203 K204 Y205 L211 R212 L213 A221 I436T203-T207 WeakPolarHBondContact O-CB 3.45Å; T203-T207 WeakPolarHBondContact O-CG2 3.48Å; T203-T207 PolarHBondContact O-N 3.31Å; T203-T207 PolarHBondContact O-OG1 3.15Å; K204-T207 WeakPolarHBondContact CA-OG1 3.48Å; K204-T207 PolarHBondContact O-OG1 2.65Å; K204-T207 VanDerWaalsContact O-OG1 3.08Å; Y205-T207 VanDerWaalsContact C-N 3.33Å; Y205-T207 PolarHBondContact O-N 2.86Å; T207-L211 HydrophobicContact CG2-CD1 4.08Å; T207-R212 PolarHBondContact O-N 3.32Å; T207-R212 VanDerWaalsContact O-N 3.11Å; T207-L213 HydrophobicContact CG2-CD1 3.92Å; T207-L213 PolarHBondContact O-N 3.17Å; T207-A221 HydrophobicContact CG2-CB 3.71Å; T207-I436 HydrophobicContact CG2-CG2 3.43Å; T207-I436 VanDerWaalsContact CG2-CG2 3.43Å
208E93.4Very high94.8Very high39 Ų3927.6 Ų27.618%0.18213%0.133CC..Iπ-helixtrans-80.7-42.5-178.5-176.7155.3179.700113.2K204 Y205 V206 S216 K340 Y472K204-E208 VanDerWaalsContact O-CB 3.32Å; K204-E208 WeakPolarHBondContact O-CB 3.16Å; K204-E208 PolarHBondContact O-N 3.42Å; K204-E208 VanDerWaalsContact O-N 3.15Å; Y205-E208 PolarHBondContact O-N 2.9Å; V206-E208 PolarHBondContact O-N 3.11Å; E208-S216 PolarHBondContact OE2-OG 2.9Å; E208-K340 VanDerWaalsContact CD-NZ 3.31Å; E208-K340 IonicContact OE1-NZ 3.03Å; E208-K340 PolarHBondContact OE1-NZ 2.8Å; E208-Y472 HydrophobicContact CB-CE2 4.35Å; E208-Y472 HydrophobicContact CG-CE2 4.46Å; E208-Y472 WeakPolarHBondContact OE2-CE2 3.49Å; E208-Y472 PolarHBondContact OE2-OH 2.91Å
209F91.6Very high94.7Very high70 Ų7027.5 Ų27.531%0.30713%0.127SC..Iπ-helixtrans-98.8-40.6-171-68.4-85.3000113.3Y205 Y472Y205-F209 AromaticContact CD2-CD2 3.23Å; Y205-F209 HydrophobicContact CD2-CD2 3.23Å; Y205-F209 AromaticContact CD2-CE2 3.53Å; Y205-F209 HydrophobicContact CD2-CE2 3.53Å; Y205-F209 HydrophobicContact CD2-CG 4.07Å; Y205-F209 HydrophobicContact CE1-CB 4.39Å; Y205-F209 HydrophobicContact CE2-CB 4.2Å; Y205-F209 HydrophobicContact CE2-CD1 4.35Å; Y205-F209 AromaticContact CE2-CD2 3.3Å; Y205-F209 HydrophobicContact CE2-CD2 3.3Å; Y205-F209 AromaticContact CE2-CE2 3.64Å; Y205-F209 HydrophobicContact CE2-CE2 3.64Å; Y205-F209 AromaticContact CE2-CG 3.69Å; Y205-F209 HydrophobicContact CE2-CG 3.69Å; Y205-F209 HydrophobicContact CE2-CZ 4.3Å; Y205-F209 AromaticContact CG-CD2 3.94Å; Y205-F209 HydrophobicContact CG-CD2 3.94Å; Y205-F209 WeakPolarHBondContact O-CB 3.39Å; Y205-F209 WeakPolarHBondContact O-CD2 3.43Å; Y205-F209 PolarHBondContact O-N 3.33Å; F209-Y472 HydrophobicContact CE2-CD2 4.15Å; F209-Y472 HydrophobicContact CE2-CE2 4.04Å
210E90.8Very high94.7Very high67 Ų6727.5 Ų27.531%0.31313%0.127SC..Iπ-helixtrans-88.5-56.7179.7-54.6-56.914600111.1V206 R212 I444 V466 C467V206-E210 HydrophobicContact CG1-CB 4.45Å; V206-E210 WeakPolarHBondContact O-CA 3.48Å; V206-E210 VanDerWaalsContact O-CB 3.32Å; V206-E210 WeakPolarHBondContact O-CB 3.27Å; V206-E210 PolarHBondContact O-N 3.47Å; E210-R212 VanDerWaalsContact C-N 3.29Å; E210-R212 PolarHBondContact O-N 3.41Å; E210-I444 HydrophobicContact CB-CD1 4.15Å; E210-V466 WeakPolarHBondContact OE1-CG1 3.35Å; E210-C467 WeakPolarHBondContact CG-SG 3.4Å
211L92.1Very high94.6Very high28 Ų2827.5 Ų27.515%0.14713%0.127CC..SBendtrans-77.5-15.3-177.8-55.2-178000113.3V206 T207 L213 Y439 A440 L443V206-L211 HydrophobicContact CG1-CG 4.35Å; V206-L211 PolarHBondContact O-N 3.38Å; T207-L211 HydrophobicContact CG2-CD1 4.08Å; L211-L213 HydrophobicContact CB-CD2 4.02Å; L211-L213 HydrophobicContact CB-CG 3.96Å; L211-L213 PolarHBondContact O-N 2.95Å; L211-Y439 HydrophobicContact CD1-CD1 4.35Å; L211-A440 HydrophobicContact CD1-CB 4.25Å; L211-A440 HydrophobicContact CD2-CB 4.22Å; L211-A440 HydrophobicContact CG-CB 4.48Å; L211-L443 HydrophobicContact CD2-CD2 3.67Å
212R92.4Very high94.5Very high150 Ų15027.8 Ų27.857%0.56613%0.128SC*.  trans49.443.7179.7-58.9-178.1177-164.3-0.4113.1T207 E210T207-R212 PolarHBondContact O-N 3.32Å; T207-R212 VanDerWaalsContact O-N 3.11Å; E210-R212 VanDerWaalsContact C-N 3.29Å; E210-R212 PolarHBondContact O-N 3.41Å
213L92.9Very high94.2Very high14 Ų1429.6 Ų29.67%0.07314%0.136CC..  trans-64.2155.4176-60.2-166.4000110.9T207 L211 A215 Y220 A221 K224T207-L213 HydrophobicContact CG2-CD1 3.92Å; T207-L213 PolarHBondContact O-N 3.17Å; L211-L213 HydrophobicContact CB-CD2 4.02Å; L211-L213 HydrophobicContact CB-CG 3.96Å; L211-L213 PolarHBondContact O-N 2.95Å; L213-A215 VanDerWaalsContact CB-O 3.3Å; L213-A215 WeakPolarHBondContact CB-O 3.31Å; L213-Y220 HydrophobicContact CB-CE1 4.23Å; L213-A221 HydrophobicContact CD1-CB 4.08Å; L213-K224 HydrophobicContact CD1-CB 4.5Å; L213-K224 HydrophobicContact CD1-CG 4.31Å; L213-K224 HydrophobicContact CD2-CG 3.99Å
214T91.9Very high94Very high57 Ų5730.1 Ų30.135%0.3514%0.138SC..SBendtrans-68.6-42.2-179.7-43.70000111.1Y220 D303 K307T214-Y220 VanDerWaalsContact CB-OH 3.25Å; T214-Y220 WeakPolarHBondContact CB-OH 3.48Å; T214-Y220 PolarHBondContact OG1-OH 2.89Å; T214-D303 WeakPolarHBondContact CB-OD2 3.27Å; T214-D303 WeakPolarHBondContact CG2-OD2 3.04Å; T214-D303 PolarHBondContact OG1-OD2 3.26Å; T214-K307 WeakPolarHBondContact OG1-CE 3.38Å; T214-K307 PolarHBondContact OG1-NZ 3.07Å
215A92.9Very high93.8Very high4 Ų428.6 Ų28.63%0.03313%0.131CC..  trans-124.3156.9172.400000109.6L213 Y217 Y220 S279L213-A215 VanDerWaalsContact CB-O 3.3Å; L213-A215 WeakPolarHBondContact CB-O 3.31Å; A215-Y217 HydrophobicContact CB-CD1 3.92Å; A215-Y217 HydrophobicContact CB-CE1 3.75Å; A215-Y220 HydrophobicContact CB-CD1 3.85Å; A215-Y220 HydrophobicContact CB-CD2 4.13Å; A215-Y220 HydrophobicContact CB-CE1 4.04Å; A215-Y220 HydrophobicContact CB-CE2 4.26Å; A215-Y220 HydrophobicContact CB-CG 3.92Å; A215-Y220 WeakPolarHBondContact O-CD1 3.32Å; A215-Y220 VanDerWaalsContact O-CE1 3.31Å; A215-Y220 WeakPolarHBondContact O-CE1 3.45Å; A215-S279 WeakPolarHBondContact CB-O 3.34Å
216S93.8Very high93.6Very high15 Ų1528.2 Ų28.211%0.10513%0.13CC..  trans-128.614.6-173.459.70000113.3H164 E208H164-S216 PolarHBondContact CE1-O 3.24Å; H164-S216 PolarHBondContact NE2-O 3.23Å; E208-S216 PolarHBondContact OE2-OG 2.9Å
217Y94.8Very high93.4Very high25 Ų2529 Ų2910%0.09813%0.134CC..SBendtrans-72.8149.216863.5-90.5000110.4A215 E219 Y220 A221 G282 T296A215-Y217 HydrophobicContact CB-CD1 3.92Å; A215-Y217 HydrophobicContact CB-CE1 3.75Å; Y217-E219 HydrophobicContact CD2-CB 4.18Å; Y217-E219 HydrophobicContact CE2-CB 4.19Å; Y217-E219 PolarHBondContact O-N 3.31Å; Y217-Y220 HydrophobicContact CE1-CD2 4.45Å; Y217-Y220 HydrophobicContact CE1-CG 4.27Å; Y217-Y220 PolarHBondContact O-N 3.05Å; Y217-A221 PolarHBondContact O-N 3.5Å; Y217-G282 VanDerWaalsContact CD1-N 3.33Å; Y217-T296 HydrophobicContact CE2-CG2 4.28Å
218L95Very high93.1Very high21 Ų2131.7 Ų31.711%0.1115%0.147CC..Hα-helixtrans-52.8-51.3-165.2-177.658.1000113.4H164 Y220 A221 Y222 D429 M432 T433 I436H164-L218 HydrophobicContact CB-CD1 4.08Å; H164-L218 PolarHBondContact NE2-N 3.44Å; L218-Y220 PolarHBondContact O-N 3.48Å; L218-A221 PolarHBondContact O-N 3.28Å; L218-Y222 WeakPolarHBondContact O-CB 3.32Å; L218-Y222 PolarHBondContact O-N 3.44Å; L218-D429 HydrophobicContact CD2-CB 3.72Å; L218-D429 WeakPolarHBondContact CD2-OD1 3.37Å; L218-M432 HydrophobicContact CD1-CB 3.97Å; L218-M432 HydrophobicContact CD2-CB 4.44Å; L218-M432 HydrophobicContact CD2-CE 4.01Å; L218-M432 HydrophobicContact CG-CB 4.14Å; L218-M432 HydrophobicContact CG-CE 4.11Å; L218-T433 WeakPolarHBondContact CD1-OG1 3.38Å; L218-I436 HydrophobicContact CD1-CD1 3.66Å
219E93.4Very high93Very high31 Ų3130.4 Ų30.415%0.14514%0.141CC..Hα-helixtrans-60.7-46.3-177.3-163.2-159.8146.600112.2Y217 Y222 K223 T296Y217-E219 HydrophobicContact CD2-CB 4.18Å; Y217-E219 HydrophobicContact CE2-CB 4.19Å; Y217-E219 PolarHBondContact O-N 3.31Å; E219-Y222 PolarHBondContact O-N 3.22Å; E219-K223 HydrophobicContact CG-CD 4.08Å; E219-K223 WeakPolarHBondContact O-CB 3.16Å; E219-K223 WeakPolarHBondContact O-CG 3.27Å; E219-K223 PolarHBondContact O-N 3.07Å; E219-K223 VanDerWaalsContact OE1-CE 3.24Å; E219-K223 WeakPolarHBondContact OE1-CE 3.49Å; E219-K223 IonicContact OE1-NZ 3.25Å; E219-K223 PolarHBondContact OE1-NZ 3.26Å; E219-T296 HydrophobicContact CG-CG2 4.48Å; E219-T296 WeakPolarHBondContact OE1-CB 3.48Å; E219-T296 PolarHBondContact OE1-OG1 2.88Å; E219-T296 PolarHBondContact OE2-OG1 3.35Å
220Y94.6Very high92.8Very high1 Ų128 Ų280%0.00413%0.133CC..Hα-helixtrans-62.3-48.4176.6176.2-79.6000111.3L213 T214 A215 Y217 L218 Y222 K223 K224 T296 I299 I300 D303L213-Y220 HydrophobicContact CB-CE1 4.23Å; T214-Y220 VanDerWaalsContact CB-OH 3.25Å; T214-Y220 WeakPolarHBondContact CB-OH 3.48Å; T214-Y220 PolarHBondContact OG1-OH 2.89Å; A215-Y220 HydrophobicContact CB-CD1 3.85Å; A215-Y220 HydrophobicContact CB-CD2 4.13Å; A215-Y220 HydrophobicContact CB-CE1 4.04Å; A215-Y220 HydrophobicContact CB-CE2 4.26Å; A215-Y220 HydrophobicContact CB-CG 3.92Å; A215-Y220 WeakPolarHBondContact O-CD1 3.32Å; A215-Y220 VanDerWaalsContact O-CE1 3.31Å; A215-Y220 WeakPolarHBondContact O-CE1 3.45Å; Y217-Y220 HydrophobicContact CE1-CD2 4.45Å; Y217-Y220 HydrophobicContact CE1-CG 4.27Å; Y217-Y220 PolarHBondContact O-N 3.05Å; L218-Y220 PolarHBondContact O-N 3.48Å; Y220-Y222 VanDerWaalsContact C-N 3.33Å; Y220-Y222 PolarHBondContact O-N 3.3Å; Y220-K223 PolarHBondContact O-N 2.9Å; Y220-K224 HydrophobicContact CD1-CB 4.47Å; Y220-K224 HydrophobicContact CE1-CB 4.32Å; Y220-K224 HydrophobicContact CE1-CG 4.43Å; Y220-K224 WeakPolarHBondContact O-CB 3.42Å; Y220-K224 PolarHBondContact O-N 3.45Å; Y220-T296 HydrophobicContact CD2-CG2 4.43Å; Y220-I299 HydrophobicContact CD2-CG2 4.13Å; Y220-I299 HydrophobicContact CE2-CG2 3.93Å; Y220-I300 HydrophobicContact CD2-CD1 4.27Å; Y220-I300 HydrophobicContact CD2-CG1 3.6Å; Y220-I300 HydrophobicContact CE2-CG1 3.52Å; Y220-I300 HydrophobicContact CG-CG1 4.33Å; Y220-D303 PolarHBondContact OH-OD2 3.43Å
221A96.2Very high92.6Very high0 Ų029.9 Ų29.90%014%0.137CC..Hα-helixtrans-59.5-46-178.700000111.3T207 L213 Y217 L218 C225 I436T207-A221 HydrophobicContact CG2-CB 3.71Å; L213-A221 HydrophobicContact CD1-CB 4.08Å; Y217-A221 PolarHBondContact O-N 3.5Å; L218-A221 PolarHBondContact O-N 3.28Å; A221-C225 WeakPolarHBondContact O-CB 3.24Å; A221-C225 PolarHBondContact O-N 2.99Å; A221-C225 PolarHBondContact O-SG 3.01Å; A221-I436 HydrophobicContact CB-CD1 3.65Å; A221-I436 HydrophobicContact CB-CG1 4.31Å
222Y95.6Very high92.2Very high9 Ų929.2 Ų29.24%0.03514%0.135CC..Hα-helixtrans-62.9-54.1177.4167.8-110.7000112L218 E219 Y220 K224 C225 K226 Y431 M432 Y435L218-Y222 WeakPolarHBondContact O-CB 3.32Å; L218-Y222 PolarHBondContact O-N 3.44Å; E219-Y222 PolarHBondContact O-N 3.22Å; Y220-Y222 VanDerWaalsContact C-N 3.33Å; Y220-Y222 PolarHBondContact O-N 3.3Å; Y222-K224 VanDerWaalsContact C-N 3.26Å; Y222-K224 PolarHBondContact O-N 3.45Å; Y222-C225 PolarHBondContact O-N 2.94Å; Y222-K226 HydrophobicContact CE1-CD 4.39Å; Y222-K226 WeakPolarHBondContact O-CB 3.4Å; Y222-K226 PolarHBondContact O-N 3.39Å; Y222-Y431 AromaticContact CE2-CE1 3.88Å; Y222-Y431 HydrophobicContact CE2-CE1 3.88Å; Y222-Y431 AromaticContact CZ-CE1 3.79Å; Y222-Y431 WeakPolarHBondContact OH-CE1 3.42Å; Y222-Y431 PolarHBondContact OH-OH 3.05Å; Y222-M432 HydrophobicContact CD1-CB 4.4Å; Y222-M432 HydrophobicContact CD1-CG 3.6Å; Y222-M432 HydrophobicContact CD1-SD 3.45Å; Y222-M432 WeakPolarHBondContact CD1-SD 3.45Å; Y222-M432 HydrophobicContact CD2-CB 4.07Å; Y222-M432 HydrophobicContact CD2-CG 3.93Å; Y222-M432 HydrophobicContact CE1-CG 3.96Å; Y222-M432 HydrophobicContact CE1-SD 4.08Å; Y222-M432 HydrophobicContact CE2-CG 4.29Å; Y222-M432 HydrophobicContact CG-CB 3.87Å; Y222-M432 HydrophobicContact CG-CG 3.57Å; Y222-M432 HydrophobicContact CG-SD 3.82Å; Y222-Y435 AromaticContact CD2-CD1 3.72Å; Y222-Y435 HydrophobicContact CD2-CD1 3.72Å; Y222-Y435 AromaticContact CD2-CG 3.88Å; Y222-Y435 HydrophobicContact CD2-CG 3.88Å; Y222-Y435 AromaticContact CE2-CD1 3.8Å; Y222-Y435 HydrophobicContact CE2-CD1 3.8Å; Y222-Y435 HydrophobicContact CE2-CD2 4.1Å; Y222-Y435 HydrophobicContact CE2-CE1 4.41Å; Y222-Y435 AromaticContact CE2-CG 3.64Å; Y222-Y435 HydrophobicContact CE2-CG 3.64Å
223K93.7Very high91.7Very high39 Ų3925.2 Ų25.217%0.1713%0.128CC..Hα-helixtrans-59.3-38.9-179.4-77.4177.9163-174.90111.7E219 Y220 L227 V265 T296 D297 I300E219-K223 HydrophobicContact CG-CD 4.08Å; E219-K223 WeakPolarHBondContact O-CB 3.16Å; E219-K223 WeakPolarHBondContact O-CG 3.27Å; E219-K223 PolarHBondContact O-N 3.07Å; E219-K223 VanDerWaalsContact OE1-CE 3.24Å; E219-K223 WeakPolarHBondContact OE1-CE 3.49Å; E219-K223 IonicContact OE1-NZ 3.25Å; E219-K223 PolarHBondContact OE1-NZ 3.26Å; Y220-K223 PolarHBondContact O-N 2.9Å; K223-L227 WeakPolarHBondContact O-CB 3.3Å; K223-L227 PolarHBondContact O-N 3.25Å; K223-V265 HydrophobicContact CB-CG2 4.45Å; K223-T296 HydrophobicContact CD-CG2 3.77Å; K223-D297 VanDerWaalsContact CD-OD1 3.27Å; K223-D297 WeakPolarHBondContact CD-OD1 3.37Å; K223-D297 VanDerWaalsContact CE-OD1 3.31Å; K223-D297 WeakPolarHBondContact CE-OD1 3.31Å; K223-D297 IonicContact NZ-OD1 3.12Å; K223-D297 PolarHBondContact NZ-OD1 2.82Å; K223-D297 VanDerWaalsContact NZ-OD1 3.07Å; K223-I300 HydrophobicContact CB-CD1 3.47Å; K223-I300 VanDerWaalsContact CB-CD1 3.47Å
224K93.4Very high91.1Very high11 Ų1129 Ų295%0.04815%0.152CC..Hα-helixtrans-64.6-50.4176.2-17959.6178.1160.40111.9L213 Y220 Y222 K226 L227 E228 I300 E304L213-K224 HydrophobicContact CD1-CB 4.5Å; L213-K224 HydrophobicContact CD1-CG 4.31Å; L213-K224 HydrophobicContact CD2-CG 3.99Å; Y220-K224 HydrophobicContact CD1-CB 4.47Å; Y220-K224 HydrophobicContact CE1-CB 4.32Å; Y220-K224 HydrophobicContact CE1-CG 4.43Å; Y220-K224 WeakPolarHBondContact O-CB 3.42Å; Y220-K224 PolarHBondContact O-N 3.45Å; Y222-K224 VanDerWaalsContact C-N 3.26Å; Y222-K224 PolarHBondContact O-N 3.45Å; K224-K226 VanDerWaalsContact C-N 3.33Å; K224-K226 PolarHBondContact O-N 3.16Å; K224-L227 PolarHBondContact O-N 3.24Å; K224-E228 WeakPolarHBondContact CE-OE1 2.98Å; K224-E228 IonicContact NZ-OE1 2.65Å; K224-E228 PolarHBondContact NZ-OE1 3.05Å; K224-E228 PolarHBondContact O-N 2.83Å; K224-I300 HydrophobicContact CB-CD1 4.26Å; K224-I300 HydrophobicContact CD-CG2 3.88Å; K224-E304 IonicContact NZ-OE1 3Å; K224-E304 PolarHBondContact NZ-OE1 3.41Å
225C94.1Very high90.4Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-60.8-42.2176.8-66.60000111.5A221 Y222 E228 N229 Y435 Y439A221-C225 WeakPolarHBondContact O-CB 3.24Å; A221-C225 PolarHBondContact O-N 2.99Å; A221-C225 PolarHBondContact O-SG 3.01Å; Y222-C225 PolarHBondContact O-N 2.94Å; C225-E228 PolarHBondContact O-N 3.36Å; C225-N229 VanDerWaalsContact O-CB 3.32Å; C225-N229 WeakPolarHBondContact O-CB 3.44Å; C225-N229 PolarHBondContact O-N 3.05Å; C225-Y435 HydrophobicContact CB-CD1 4.38Å; C225-Y435 HydrophobicContact CB-CE1 4.12Å; C225-Y439 HydrophobicContact CB-CD1 3.71Å; C225-Y439 HydrophobicContact CB-CD2 4.18Å; C225-Y439 HydrophobicContact CB-CE1 4.16Å; C225-Y439 HydrophobicContact CB-CG 3.74Å; C225-Y439 WeakPolarHBondContact O-CE2 3.42Å; C225-Y439 VanDerWaalsContact SG-CD1 3.54Å
226K92Very high89.1Confident12 Ų1233.1 Ų33.15%0.05219%0.193CC..Hα-helixtrans-61.9-45.6177-173-172.4177.1-166.10111.9Y222 K224 N229 S230 C262 P263 Y435Y222-K226 HydrophobicContact CE1-CD 4.39Å; Y222-K226 WeakPolarHBondContact O-CB 3.4Å; Y222-K226 PolarHBondContact O-N 3.39Å; K224-K226 VanDerWaalsContact C-N 3.33Å; K224-K226 PolarHBondContact O-N 3.16Å; K226-N229 PolarHBondContact O-N 3.33Å; K226-S230 WeakPolarHBondContact O-CB 3.41Å; K226-S230 PolarHBondContact O-N 3.48Å; K226-C262 VanDerWaalsContact NZ-C 3.3Å; K226-C262 PolarHBondContact NZ-O 3.1Å; K226-P263 PolarHBondContact NZ-O 3.02Å; K226-Y435 HydrophobicContact CB-CE1 4.14Å
227L90.5Very high87.6Confident16 Ų1634.8 Ų34.88%0.08420%0.204CC..Hα-helixtrans-60-47.5176.7176.859.5000111.4K223 K224 S230 R231 V265 I300K223-L227 WeakPolarHBondContact O-CB 3.3Å; K223-L227 PolarHBondContact O-N 3.25Å; K224-L227 PolarHBondContact O-N 3.24Å; L227-S230 PolarHBondContact O-N 3.43Å; L227-S230 PolarHBondContact O-OG 3.2Å; L227-R231 HydrophobicContact CD1-CG 4.44Å; L227-R231 WeakPolarHBondContact O-CG 3.4Å; L227-R231 PolarHBondContact O-N 3.01Å; L227-R231 VanDerWaalsContact O-N 3.07Å; L227-V265 HydrophobicContact CB-CG2 4.1Å; L227-V265 HydrophobicContact CD1-CB 4.2Å; L227-V265 HydrophobicContact CD2-CB 4.42Å; L227-V265 HydrophobicContact CD2-CG1 4.22Å; L227-I300 HydrophobicContact CD2-CG2 3.8Å
228E90.5Very high86Confident56 Ų5637.5 Ų37.526%0.26223%0.232SC..Hα-helixtrans-67.2-38.5-179.6-70.7-177.915700112.7K224 C225 R231 S232 Y439K224-E228 WeakPolarHBondContact CE-OE1 2.98Å; K224-E228 IonicContact NZ-OE1 2.65Å; K224-E228 PolarHBondContact NZ-OE1 3.05Å; K224-E228 PolarHBondContact O-N 2.83Å; C225-E228 PolarHBondContact O-N 3.36Å; E228-R231 PolarHBondContact O-N 3.3Å; E228-S232 WeakPolarHBondContact O-CB 3.42Å; E228-S232 PolarHBondContact O-N 2.62Å; E228-S232 PolarHBondContact O-OG 3.38Å; E228-Y439 HydrophobicContact CB-CE2 4.35Å; E228-Y439 VanDerWaalsContact CB-OH 3.3Å; E228-Y439 WeakPolarHBondContact CB-OH 3.21Å; E228-Y439 PolarHBondContact OE2-OH 2.89Å
229N90.4Very high84.4Confident13 Ų1337 Ų377%0.0723%0.233CC..Hα-helixtrans-59.1-49.3171.5-168.753.8000111C225 K226 R231 S232 V233 P240 H241 V242 Y435 Y439C225-N229 VanDerWaalsContact O-CB 3.32Å; C225-N229 WeakPolarHBondContact O-CB 3.44Å; C225-N229 PolarHBondContact O-N 3.05Å; K226-N229 PolarHBondContact O-N 3.33Å; N229-R231 VanDerWaalsContact C-N 3.3Å; N229-R231 PolarHBondContact O-N 2.99Å; N229-S232 WeakPolarHBondContact O-CB 3.28Å; N229-S232 PolarHBondContact O-N 3.48Å; N229-S232 VanDerWaalsContact O-N 3.13Å; N229-V233 VanDerWaalsContact O-CG2 3.32Å; N229-V233 WeakPolarHBondContact O-CG2 3.44Å; N229-V233 PolarHBondContact O-N 3.18Å; N229-P240 PolarHBondContact OD1-O 3.22Å; N229-H241 WeakPolarHBondContact OD1-CA 3.46Å; N229-V242 PolarHBondContact ND2-O 3.39Å; N229-V242 PolarHBondContact OD1-N 2.98Å; N229-Y435 WeakPolarHBondContact CB-OH 3.44Å; N229-Y435 PolarHBondContact ND2-OH 2.98Å; N229-Y439 HydrophobicContact CB-CD2 3.99Å; N229-Y439 HydrophobicContact CB-CE2 3.93Å
230S87.8Confident83.2Confident20 Ų2035.9 Ų35.914%0.1423%0.228CC..Hα-helixtrans-61.6-36.4-178.876.20000113.4K226 L227 T234K226-S230 WeakPolarHBondContact O-CB 3.41Å; K226-S230 PolarHBondContact O-N 3.48Å; L227-S230 PolarHBondContact O-N 3.43Å; L227-S230 PolarHBondContact O-OG 3.2Å; S230-T234 WeakPolarHBondContact O-CB 3.36Å; S230-T234 PolarHBondContact O-N 3.48Å; S230-T234 PolarHBondContact O-OG1 3Å
231R86.9Confident82.7Confident105 Ų10538.4 Ų38.440%0.39624%0.24SC..Hα-helixtrans-70.1-40.1176-74.2177176168.81.5111.5L227 E228 N229 V233 T234 S235 E304L227-R231 HydrophobicContact CD1-CG 4.44Å; L227-R231 WeakPolarHBondContact O-CG 3.4Å; L227-R231 PolarHBondContact O-N 3.01Å; L227-R231 VanDerWaalsContact O-N 3.07Å; E228-R231 PolarHBondContact O-N 3.3Å; N229-R231 VanDerWaalsContact C-N 3.3Å; N229-R231 PolarHBondContact O-N 2.99Å; R231-V233 VanDerWaalsContact C-N 3.34Å; R231-T234 PolarHBondContact O-N 3.43Å; R231-S235 VanDerWaalsContact O-CB 3.31Å; R231-S235 WeakPolarHBondContact O-CB 3.37Å; R231-S235 PolarHBondContact O-N 3.13Å; R231-S235 PolarHBondContact O-OG 3.34Å; R231-E304 IonicContact CZ-OE1 3.7Å; R231-E304 IonicContact CZ-OE2 2.58Å; R231-E304 VanDerWaalsContact CZ-OE2 3.25Å; R231-E304 IonicContact NH1-OE1 3.57Å; R231-E304 PolarHBondContact NH1-OE1 2.87Å; R231-E304 IonicContact NH1-OE2 2.7Å; R231-E304 PolarHBondContact NH1-OE2 3.5Å; R231-E304 IonicContact NH2-OE1 2.75Å; R231-E304 IonicContact NH2-OE2 2.68Å; R231-E304 PolarHBondContact NH2-OE2 3.46Å
232S83.4Confident82.4Confident15 Ų1538.7 Ų38.711%0.10524%0.241CC..Hα-helixtrans-62.4-42.9177.1-59.40000111.3E228 N229 S235 S237 P240 H241E228-S232 WeakPolarHBondContact O-CB 3.42Å; E228-S232 PolarHBondContact O-N 2.62Å; E228-S232 PolarHBondContact O-OG 3.38Å; N229-S232 WeakPolarHBondContact O-CB 3.28Å; N229-S232 PolarHBondContact O-N 3.48Å; N229-S232 VanDerWaalsContact O-N 3.13Å; S232-S235 PolarHBondContact O-OG 2.85Å; S232-S237 PolarHBondContact O-N 3.03Å; S232-P240 WeakPolarHBondContact CB-O 3.5Å; S232-H241 PolarHBondContact O-NE2 3.09Å
233V81.8Confident82.2Confident66 Ų6641.8 Ų41.840%0.426%0.256SS..Hα-helixtrans-61.6-49.8172.71770000111.3N229 R231 S235 G236N229-V233 VanDerWaalsContact O-CG2 3.32Å; N229-V233 WeakPolarHBondContact O-CG2 3.44Å; N229-V233 PolarHBondContact O-N 3.18Å; R231-V233 VanDerWaalsContact C-N 3.34Å; V233-S235 PolarHBondContact O-N 2.84Å; V233-G236 PolarHBondContact O-N 3.18Å
234T80.4Confident82.3Confident94 Ų9441.5 Ų41.558%0.57726%0.256SS*.Hα-helixtrans-68.9-37.1-174.2-56.40000113.1S230 R231 G236S230-T234 WeakPolarHBondContact O-CB 3.36Å; S230-T234 PolarHBondContact O-N 3.48Å; S230-T234 PolarHBondContact O-OG1 3Å; R231-T234 PolarHBondContact O-N 3.43Å; T234-G236 PolarHBondContact O-N 3.3Å
235S76.9Confident82.3Confident78 Ų7844.7 Ų44.755%0.54527%0.271SS..THydrogen-bonded Turntrans-77.4-5.3-177.653.50000113.5R231 S232 V233 S237R231-S235 VanDerWaalsContact O-CB 3.31Å; R231-S235 WeakPolarHBondContact O-CB 3.37Å; R231-S235 PolarHBondContact O-N 3.13Å; R231-S235 PolarHBondContact O-OG 3.34Å; S232-S235 PolarHBondContact O-OG 2.85Å; V233-S235 PolarHBondContact O-N 2.84Å; S235-S237 PolarHBondContact O-N 3.01Å; S235-S237 VanDerWaalsContact OG-CB 3.32Å; S235-S237 WeakPolarHBondContact OG-CB 3.28Å; S235-S237 PolarHBondContact OG-OG 3.16Å
236G65.3Low82.4Confident69 Ų6946.8 Ų46.871%0.71128%0.28SS*.THydrogen-bonded Turntrans5715.2-169.800000112.8V233 T234V233-G236 PolarHBondContact O-N 3.18Å; T234-G236 PolarHBondContact O-N 3.3Å
237S63.8Low82.4Confident49 Ų4948 Ų4834%0.34329%0.289SS..  trans-78.5159.2-175.2650000110.2S232 S235 G239 H241S232-S237 PolarHBondContact O-N 3.03Å; S235-S237 PolarHBondContact O-N 3.01Å; S235-S237 VanDerWaalsContact OG-CB 3.32Å; S235-S237 WeakPolarHBondContact OG-CB 3.28Å; S235-S237 PolarHBondContact OG-OG 3.16Å; S237-G239 PolarHBondContact O-N 3.05Å; S237-H241 PolarHBondContact O-CE1 3.32Å
238A60.4Low82.3Confident83 Ų8356.5 Ų56.569%0.68633%0.329SS*.SBendtrans-71.754171.400000111.7K446A238-K446 WeakPolarHBondContact O-CD 3.33Å; A238-K446 WeakPolarHBondContact O-CE 3.41Å; A238-K446 PolarHBondContact O-NZ 3.08Å
239G62.4Low82.2Confident11 Ų1155.6 Ų55.611%0.11332%0.323CS..SBendtrans-91.8-175.2167.500000112.7S237 H241 K446S237-G239 PolarHBondContact O-N 3.05Å; G239-H241 PolarHBondContact O-CE1 2.81Å; G239-H241 PolarHBondContact O-ND1 2.78Å; G239-K446 PolarHBondContact O-NZ 2.72Å
240P66.8Low81.8Confident6 Ų658.8 Ų58.84%0.03935%0.351CS..  trans-69.6144.3170.429-34000110.8N229 S232 Y439 A442 L443N229-P240 PolarHBondContact OD1-O 3.22Å; S232-P240 WeakPolarHBondContact CB-O 3.5Å; P240-Y439 HydrophobicContact CB-CD2 4.33Å; P240-Y439 HydrophobicContact CB-CE2 4.06Å; P240-Y439 HydrophobicContact CG-CD2 4.04Å; P240-Y439 HydrophobicContact CG-CE2 3.29Å; P240-A442 HydrophobicContact CB-CB 4Å; P240-L443 HydrophobicContact CB-CB 4.33Å; P240-L443 HydrophobicContact CG-CB 4.39Å; P240-L443 HydrophobicContact CG-CD1 3.98Å
241H83.6Confident81.5Confident55 Ų5560.4 Ų60.426%0.25537%0.372SS..  trans-130.274.1-178.9-62.693.3000109.9N229 S232 S237 G239 H243N229-H241 WeakPolarHBondContact OD1-CA 3.46Å; S232-H241 PolarHBondContact O-NE2 3.09Å; S237-H241 PolarHBondContact O-CE1 3.32Å; G239-H241 PolarHBondContact O-CE1 2.81Å; G239-H241 PolarHBondContact O-ND1 2.78Å; H241-H243 PolarHBondContact O-CD2 3.01Å; H241-H243 PolarHBondContact O-N 3.26Å
242V90.7Very high81.1Confident5 Ų561.8 Ų61.83%0.0339%0.387CS..  trans-77.5121.3172.6-179.10000108.8Y89 N229 L244 Y435 A438 A442Y89-V242 HydrophobicContact CD2-CG1 4.38Å; N229-V242 PolarHBondContact ND2-O 3.39Å; N229-V242 PolarHBondContact OD1-N 2.98Å; V242-L244 HydrophobicContact CG1-CD2 3.79Å; V242-L244 HydrophobicContact CG1-CG 4.44Å; V242-Y435 HydrophobicContact CG1-CE2 4.4Å; V242-A438 HydrophobicContact CG1-CB 4.17Å; V242-A438 HydrophobicContact CG2-CB 4.48Å; V242-A442 HydrophobicContact CG2-CB 3.98Å
243H91.8Very high80.9Confident74 Ų7464.4 Ų64.434%0.34340%0.4SS..EExtended strand (participates in β ladder)trans-112.3130.2176.5-64.1-78.4000109.7D87 S88 Y89 H241D87-H243 PolarHBondContact O-N 3.49Å; D87-H243 VanDerWaalsContact O-N 3.14Å; S88-H243 CarbonylContact C-O 3.59Å; S88-H243 VanDerWaalsContact CA-O 3.29Å; S88-H243 WeakPolarHBondContact CA-O 3.46Å; Y89-H243 PolarHBondContact N-O 3.03Å; H241-H243 PolarHBondContact O-CD2 3.01Å; H241-H243 PolarHBondContact O-N 3.26Å
244L94.4Very high80.9Confident34 Ų3463.8 Ų63.818%0.17840%0.398CS..EExtended strand (participates in β ladder)trans-113.5133.5178.8-55.4-173.8000110.4Y78 Y89 V91 V242 F246 Y431 Y435Y78-L244 HydrophobicContact CE1-CD2 4.11Å; Y89-L244 WeakPolarHBondContact O-CA 3.31Å; V91-L244 HydrophobicContact CG2-CB 4.49Å; V91-L244 HydrophobicContact CG2-CD1 4.5Å; V91-L244 HydrophobicContact CG2-CD2 3.84Å; V91-L244 HydrophobicContact CG2-CG 4.49Å; V242-L244 HydrophobicContact CG1-CD2 3.79Å; V242-L244 HydrophobicContact CG1-CG 4.44Å; L244-F246 HydrophobicContact CB-CE2 4.19Å; L244-F246 HydrophobicContact CB-CZ 4.24Å; L244-F246 HydrophobicContact CD1-CZ 4.18Å; L244-Y431 HydrophobicContact CD1-CE2 3.66Å; L244-Y431 WeakPolarHBondContact CD1-OH 3.39Å; L244-Y435 HydrophobicContact CD1-CD2 3.55Å; L244-Y435 HydrophobicContact CD1-CE2 3.83Å; L244-Y435 HydrophobicContact CG-CD2 4.34Å; L244-Y435 HydrophobicContact CG-CE2 4.31Å
245E95.1Very high81.2Confident77 Ų7764 Ų6436%0.3640%0.4SS..EExtended strand (participates in β ladder)trans-115.1148.5166.8-64.3-172.7-175.600108.7L81 K84 Y89 L90 V91L81-E245 HydrophobicContact CD1-CB 4.3Å; L81-E245 HydrophobicContact CD1-CG 4.21Å; K84-E245 WeakPolarHBondContact CE-OE1 3.39Å; K84-E245 IonicContact NZ-OE1 2.74Å; K84-E245 PolarHBondContact NZ-OE1 3.33Å; K84-E245 IonicContact NZ-OE2 3.82Å; Y89-E245 PolarHBondContact O-N 3.15Å; L90-E245 WeakPolarHBondContact CA-O 3.35Å; L90-E245 HydrophobicContact CD1-CB 4.45Å; V91-E245 PolarHBondContact N-O 3.07Å
246F95.1Very high81.8Confident44 Ų4463.3 Ų63.319%0.19339%0.385CS..EExtended strand (participates in β ladder)trans-125.2149177.7-60.8-80.7000109.5I5 V7 P8 V91 L244 Y431I5-F246 HydrophobicContact CG2-CE2 3.83Å; I5-F246 HydrophobicContact CG2-CZ 4.36Å; V7-F246 HydrophobicContact CB-CZ 4.38Å; V7-F246 HydrophobicContact CG1-CE1 3.96Å; V7-F246 HydrophobicContact CG1-CZ 4.21Å; V7-F246 HydrophobicContact CG2-CZ 3.93Å; P8-F246 HydrophobicContact CG-CB 3.73Å; P8-F246 HydrophobicContact CG-CD1 3.92Å; P8-F246 HydrophobicContact CG-CG 3.95Å; V91-F246 HydrophobicContact CB-CD1 4.07Å; V91-F246 HydrophobicContact CB-CE1 3.8Å; V91-F246 HydrophobicContact CG1-CE1 4.21Å; V91-F246 WeakPolarHBondContact O-CD1 2.97Å; L244-F246 HydrophobicContact CB-CE2 4.19Å; L244-F246 HydrophobicContact CB-CZ 4.24Å; L244-F246 HydrophobicContact CD1-CZ 4.18Å; F246-Y431 HydrophobicContact CE1-CE2 4.18Å; F246-Y431 AromaticContact CZ-CE2 3.98Å; F246-Y431 HydrophobicContact CZ-CE2 3.98Å
247C91.8Very high83Confident37 Ų3761 Ų6125%0.2536%0.356CS..  trans-60.5145169.5-64.70000109.9Q92 Y249Q92-C247 PolarHBondContact OE1-SG 2.92Å; Q92-C247 VanDerWaalsContact OE1-SG 3.33Å; C247-Y249 HydrophobicContact CB-CE1 3.98Å; C247-Y249 HydrophobicContact CB-CE2 3.95Å; C247-Y249 VanDerWaalsContact O-CD2 3.24Å; C247-Y249 WeakPolarHBondContact O-CD2 3.46Å; C247-Y249 WeakPolarHBondContact O-CE2 2.99Å
248Q88.9Confident84.3Confident195 Ų19560 Ų6091%0.91135%0.347SS*.  trans-89.2134168.3-67-177-3.500108.6
249Y87.6Confident85.8Confident37 Ų3761.1 Ų61.115%0.14534%0.335CS..  trans-120.1118.8-178.4-52.9-89.3000108.7P8 I10 C247 I257P8-Y249 HydrophobicContact CB-CD2 4.07Å; P8-Y249 HydrophobicContact CB-CE2 3.65Å; P8-Y249 HydrophobicContact CG-CD2 4.43Å; P8-Y249 HydrophobicContact CG-CE2 3.74Å; I10-Y249 HydrophobicContact CD1-CE1 3.74Å; I10-Y249 WeakPolarHBondContact CD1-OH 2.94Å; I10-Y249 HydrophobicContact CG1-CE1 4.12Å; C247-Y249 HydrophobicContact CB-CE1 3.98Å; C247-Y249 HydrophobicContact CB-CE2 3.95Å; C247-Y249 VanDerWaalsContact O-CD2 3.24Å; C247-Y249 WeakPolarHBondContact O-CD2 3.46Å; C247-Y249 WeakPolarHBondContact O-CE2 2.99Å; Y249-I257 HydrophobicContact CD1-CD1 3.5Å; Y249-I257 VanDerWaalsContact CD1-CD1 3.5Å; Y249-I257 HydrophobicContact CD2-CD1 3.39Å; Y249-I257 HydrophobicContact CE1-CD1 4.21Å; Y249-I257 HydrophobicContact CE2-CD1 4.11Å; Y249-I257 HydrophobicContact CG-CD1 3.02Å; Y249-I257 HydrophobicContact CG-CG1 4.44Å
250A82.1Confident87.1Confident80 Ų8064.3 Ų64.366%0.66134%0.343SS*.  trans-123.2162.7-176.300000110.7
251G83.1Confident88Confident55 Ų5571.2 Ų71.257%0.56738%0.375SS*.G310 helixtrans64.3-145.1179.300000112.4L253 S254G251-L253 PolarHBondContact O-N 2.81Å; G251-L253 VanDerWaalsContact O-N 3.14Å; G251-S254 PolarHBondContact O-N 3.2Å; G251-S254 PolarHBondContact O-OG 3.09Å
252D78.4Confident88Confident134 Ų13468.8 Ų68.872%0.71736%0.364SS*.G310 helixtrans-60.9-28-172.8-60.2-31000113.5S254 T255D252-S254 PolarHBondContact O-N 2.88Å; D252-T255 WeakPolarHBondContact O-CB 3.37Å; D252-T255 WeakPolarHBondContact O-CG2 3.41Å; D252-T255 PolarHBondContact O-N 2.9Å; D252-T255 VanDerWaalsContact O-N 3.12Å; D252-T255 PolarHBondContact O-OG1 3.47Å
253L78.3Confident87.5Confident70 Ų7072.5 Ų72.537%0.36639%0.388SS..G310 helixtrans-61.4-27.6176.3-76.2161.6000113.1L20 G251 T255 Y256 I257L20-L253 HydrophobicContact CD2-CD2 3.81Å; G251-L253 PolarHBondContact O-N 2.81Å; G251-L253 VanDerWaalsContact O-N 3.14Å; L253-T255 PolarHBondContact O-N 2.87Å; L253-Y256 PolarHBondContact O-N 3.45Å; L253-I257 WeakPolarHBondContact O-CD1 3.47Å; L253-I257 WeakPolarHBondContact O-CG1 3.3Å
254S81.1Confident86.8Confident53 Ų5370.1 Ų70.137%0.37138%0.381SS..G310 helixtrans-67-19178.770.30000112.9G251 D252 Y256 I257G251-S254 PolarHBondContact O-N 3.2Å; G251-S254 PolarHBondContact O-OG 3.09Å; D252-S254 PolarHBondContact O-N 2.88Å; S254-Y256 PolarHBondContact O-N 2.87Å; S254-I257 PolarHBondContact O-N 2.83Å
255T87.2Confident85.9Confident99 Ų9969.7 Ų69.761%0.60738%0.38SS*.G310 helixtrans-70.2-21.8178.966.60000113D252 L253D252-T255 WeakPolarHBondContact O-CB 3.37Å; D252-T255 WeakPolarHBondContact O-CG2 3.41Å; D252-T255 PolarHBondContact O-N 2.9Å; D252-T255 VanDerWaalsContact O-N 3.12Å; D252-T255 PolarHBondContact O-OG1 3.47Å; L253-T255 PolarHBondContact O-N 2.87Å
256Y89.3Confident84.7Confident63 Ų6369.9 Ų69.925%0.24739%0.386CS..G310 helixtrans-96.88.4179.5-50.8-48.2000112.9D11 N16 L253 S254D11-Y256 PolarHBondContact N-O 3.38Å; N16-Y256 HydrophobicContact CB-CD2 4.47Å; N16-Y256 HydrophobicContact CB-CE2 4.23Å; N16-Y256 WeakPolarHBondContact ND2-CD1 3.38Å; L253-Y256 PolarHBondContact O-N 3.45Å; S254-Y256 PolarHBondContact O-N 2.87Å
257I92.1Very high83.1Confident19 Ų1971.9 Ų71.910%0.09741%0.406CS..EExtended strand (participates in β ladder)trans-115.2122-169.3-61.8172.6000110.3P8 V9 I10 Y249 L253 S254 Y259P8-I257 HydrophobicContact CB-CG2 3.71Å; V9-I257 WeakPolarHBondContact O-CA 3.46Å; I10-I257 HydrophobicContact CG1-CG1 4.26Å; Y249-I257 HydrophobicContact CD1-CD1 3.5Å; Y249-I257 VanDerWaalsContact CD1-CD1 3.5Å; Y249-I257 HydrophobicContact CD2-CD1 3.39Å; Y249-I257 HydrophobicContact CE1-CD1 4.21Å; Y249-I257 HydrophobicContact CE2-CD1 4.11Å; Y249-I257 HydrophobicContact CG-CD1 3.02Å; Y249-I257 HydrophobicContact CG-CG1 4.44Å; L253-I257 WeakPolarHBondContact O-CD1 3.47Å; L253-I257 WeakPolarHBondContact O-CG1 3.3Å; S254-I257 PolarHBondContact O-N 2.83Å; I257-Y259 HydrophobicContact CB-CD2 4.5Å; I257-Y259 HydrophobicContact CB-CE2 4.04Å; I257-Y259 HydrophobicContact CG2-CD1 4.34Å; I257-Y259 HydrophobicContact CG2-CD2 3.86Å; I257-Y259 HydrophobicContact CG2-CE1 4.1Å; I257-Y259 HydrophobicContact CG2-CE2 3.59Å; I257-Y259 HydrophobicContact CG2-CG 4.24Å
258D90.9Very high81.5Confident30 Ų3072.7 Ų72.716%0.1641%0.41CS..EExtended strand (participates in β ladder)trans-92107.2169.5-175.912.6000109V9 R260 R425V9-D258 HydrophobicContact CB-CB 4.47Å; V9-D258 PolarHBondContact N-O 3.44Å; V9-D258 PolarHBondContact O-N 2.65Å; D258-R260 PolarHBondContact O-N 3.46Å; D258-R260 IonicContact OD1-CZ 2.61Å; D258-R260 IonicContact OD1-NE 3.26Å; D258-R260 PolarHBondContact OD1-NE 3.05Å; D258-R260 IonicContact OD1-NH2 3.37Å; D258-R260 PolarHBondContact OD1-NH2 2.98Å; D258-R260 IonicContact OD2-CZ 3.92Å; D258-R260 IonicContact OD2-NE 3.14Å; D258-R260 PolarHBondContact OD2-NE 2.85Å; D258-R260 IonicContact OD2-NH1 2.9Å; D258-R260 IonicContact OD2-NH2 3.25Å; D258-R260 PolarHBondContact OD2-NH2 3.39Å; D258-R425 IonicContact OD2-CZ 2.71Å; D258-R425 IonicContact OD2-NH1 2.74Å; D258-R425 PolarHBondContact OD2-NH1 2.95Å
259Y91.3Very high79.9Confident106 Ų10672.9 Ų72.942%0.41641%0.411SS..EExtended strand (participates in β ladder)trans-82.1106.8175.4-71.9-83.5000109.5V6 P8 I257V6-Y259 HydrophobicContact CG1-CD1 3.86Å; V6-Y259 HydrophobicContact CG1-CG 4.26Å; P8-Y259 HydrophobicContact CB-CD1 4.05Å; P8-Y259 HydrophobicContact CB-CE1 3.86Å; I257-Y259 HydrophobicContact CB-CD2 4.5Å; I257-Y259 HydrophobicContact CB-CE2 4.04Å; I257-Y259 HydrophobicContact CG2-CD1 4.34Å; I257-Y259 HydrophobicContact CG2-CD2 3.86Å; I257-Y259 HydrophobicContact CG2-CE1 4.1Å; I257-Y259 HydrophobicContact CG2-CE2 3.59Å; I257-Y259 HydrophobicContact CG2-CG 4.24Å
260R88.9Confident78.5Confident77 Ų7774.7 Ų74.729%0.29144%0.44SS..EExtended strand (participates in β ladder)trans-95115.4-178.3-66.2-76.593.5165.610.5110.5V6 V7 V9 D258 C262 F428V6-R260 WeakPolarHBondContact CA-O 3.31Å; V7-R260 PolarHBondContact N-O 3.34Å; V7-R260 PolarHBondContact O-N 3.45Å; V9-R260 HydrophobicContact CG2-CG 4.09Å; D258-R260 PolarHBondContact O-N 3.46Å; D258-R260 IonicContact OD1-CZ 2.61Å; D258-R260 IonicContact OD1-NE 3.26Å; D258-R260 PolarHBondContact OD1-NE 3.05Å; D258-R260 IonicContact OD1-NH2 3.37Å; D258-R260 PolarHBondContact OD1-NH2 2.98Å; D258-R260 IonicContact OD2-CZ 3.92Å; D258-R260 IonicContact OD2-NE 3.14Å; D258-R260 PolarHBondContact OD2-NE 2.85Å; D258-R260 IonicContact OD2-NH1 2.9Å; D258-R260 IonicContact OD2-NH2 3.25Å; D258-R260 PolarHBondContact OD2-NH2 3.39Å; R260-C262 PolarHBondContact O-N 2.83Å; R260-F428 HydrophobicContact CB-CD2 4.09Å; R260-F428 HydrophobicContact CB-CE2 4Å; R260-F428 HydrophobicContact CG-CD2 4.2Å
261E86.4Confident77.4Confident151 Ų15176.1 Ų76.171%0.70643%0.433SS*.EExtended strand (participates in β ladder)trans-72.6127.4172.5-64.6-168.2178.200110.7V6 P263V6-E261 HydrophobicContact CG2-CG 4.34Å; E261-P263 VanDerWaalsContact O-CD 3.31Å; E261-P263 WeakPolarHBondContact O-CD 3.31Å
262C84.1Confident76.7Confident4 Ų479.1 Ų79.13%0.02744%0.441CS..EExtended strand (participates in β ladder)trans-108.693171.6-59.20000107.6I5 V7 K226 R260 F428I5-C262 HydrophobicContact CB-CB 4.47Å; I5-C262 PolarHBondContact N-O 2.99Å; I5-C262 WeakPolarHBondContact O-CA 3.37Å; I5-C262 VanDerWaalsContact O-CB 3.27Å; I5-C262 WeakPolarHBondContact O-CB 3.2Å; I5-C262 PolarHBondContact O-N 2.93Å; V7-C262 VanDerWaalsContact CG2-SG 3.59Å; K226-C262 VanDerWaalsContact NZ-C 3.3Å; K226-C262 PolarHBondContact NZ-O 3.1Å; R260-C262 PolarHBondContact O-N 2.83Å; C262-F428 VanDerWaalsContact SG-CE2 3.59Å; C262-F428 WeakPolarHBondContact SG-CZ 3.45Å
263P79.8Confident77Confident84 Ų8478 Ų7855%0.54544%0.435SS..PPolyproline II helixtrans-61.9161.1-18025-33000111.7K226 E261K226-P263 PolarHBondContact NZ-O 3.02Å; E261-P263 VanDerWaalsContact O-CD 3.31Å; E261-P263 WeakPolarHBondContact O-CD 3.31Å
264A77.6Confident77.5Confident23 Ų2375.6 Ų75.619%0.1942%0.423CS..PPolyproline II helixtrans-68.1145.416700000109.4T266A264-T266 PolarHBondContact O-N 2.88Å; A264-T266 VanDerWaalsContact O-N 3.11Å
265V74.1Confident78Confident26 Ų2673.4 Ų73.416%0.15841%0.408CS..PPolyproline II helixtrans-60.7118.6172.9177.70000108.2K223 L227 D297 L301K223-V265 HydrophobicContact CB-CG2 4.45Å; L227-V265 HydrophobicContact CB-CG2 4.1Å; L227-V265 HydrophobicContact CD1-CB 4.2Å; L227-V265 HydrophobicContact CD2-CB 4.42Å; L227-V265 HydrophobicContact CD2-CG1 4.22Å; V265-D297 WeakPolarHBondContact CA-OD2 3.28Å; V265-D297 HydrophobicContact CG1-CB 3.74Å; V265-L301 HydrophobicContact CG1-CG 4.36Å
266T71Confident78.2Confident80 Ų8075.5 Ų75.549%0.49141%0.411SS..  trans-129.8150.6-178.153.10000110.8A264 T268 D297A264-T266 PolarHBondContact O-N 2.88Å; A264-T266 VanDerWaalsContact O-N 3.11Å; T266-T268 PolarHBondContact O-N 3.04Å; T266-D297 PolarHBondContact N-OD2 2.81Å
267S62.3Low78.3Confident86 Ų8676.5 Ų76.560%0.60141%0.414SS*.  trans-80.9112.9169.754.60000108.8
268T57.7Low78.3Confident55 Ų5576.9 Ų76.934%0.33742%0.415SS..  trans-79.8127.2168.1580000109.7T266 G270 D295T266-T268 PolarHBondContact O-N 3.04Å; T268-G270 PolarHBondContact O-N 2.96Å; T268-D295 PolarHBondContact OG1-OD2 3.09Å
269E54.5Low78.2Confident199 Ų19976.4 Ų76.493%0.9341%0.414SS*.THydrogen-bonded Turntrans-73.9117.2172.6-68-175.7167.400108.5
270G58.3Low78.1Confident74 Ų7473.3 Ų73.376%0.76341%0.41SS*.THydrogen-bonded Turntrans163-33.6170.800000117.2T268T268-G270 PolarHBondContact O-N 2.96Å
271Q59.5Low78Confident110 Ų11074.3 Ų74.351%0.51442%0.417SS..  trans-138.7119.9176.6-78.5-178.1-23.500110.7L298Q271-L298 WeakPolarHBondContact O-CD1 3.49Å
272T67.3Low78.1Confident119 Ų11968.3 Ų68.373%0.7340%0.395SS*.  trans-92.1-23.4-178.353.20000113.5
273D84.7Confident78.3Confident110 Ų11072.8 Ų72.859%0.58841%0.412SS*.  trans-98.7106.9-168.6-64.2-12.6000110.8L292 S293D273-L292 HydrophobicContact CB-CD2 3.99Å; D273-S293 PolarHBondContact O-N 3.35Å
274V89.7Confident78.7Confident19 Ų1969.2 Ų69.212%0.11539%0.389CS..BIsolated β-bridgetrans-76.9138.6-179.51630000111.5Q276 I299V274-Q276 PolarHBondContact O-N 3.39Å; V274-I299 HydrophobicContact CB-CG1 4.36Å; V274-I299 HydrophobicContact CG1-CD1 4.21Å; V274-I299 HydrophobicContact CG1-CG1 3.44Å; V274-I299 VanDerWaalsContact CG1-CG1 3.44Å; V274-I299 HydrophobicContact CG2-CG1 3.96Å
275C92.1Very high79Confident7 Ų771.4 Ų71.45%0.04740%0.401CS..  trans-67.8113169.2-179.40000110.5R277 F278 S279 L292 S293 H294C275-R277 VanDerWaalsContact C-N 3.32Å; C275-R277 PolarHBondContact O-N 3Å; C275-F278 HydrophobicContact CB-CB 3.85Å; C275-F278 PolarHBondContact O-N 2.9Å; C275-S279 WeakPolarHBondContact O-CB 3.33Å; C275-S279 PolarHBondContact O-N 2.9Å; C275-L292 HydrophobicContact CB-CB 3.75Å; C275-L292 HydrophobicContact CB-CD1 4.37Å; C275-S293 WeakPolarHBondContact CB-O 3.5Å; C275-S293 PolarHBondContact N-O 2.95Å; C275-H294 WeakPolarHBondContact CB-CD2 3.41Å
276Q91.3Very high79.5Confident144 Ų14474.7 Ų74.767%0.67342%0.418SS*.Hα-helixtrans-61.8-38-177.7-67.2-178.1-4.900113V274 S279 A280V274-Q276 PolarHBondContact O-N 3.39Å; Q276-S279 PolarHBondContact O-N 3.48Å; Q276-A280 WeakPolarHBondContact O-CB 3.37Å; Q276-A280 PolarHBondContact O-N 2.79Å
277R90.6Very high80.1Confident83 Ų8372.4 Ų72.431%0.31341%0.41SS..Hα-helixtrans-68.2-45.6179.6-166.5170.1180169.3-13.7111.3C275 A280 F281 W283 E345C275-R277 VanDerWaalsContact C-N 3.32Å; C275-R277 PolarHBondContact O-N 3Å; R277-A280 PolarHBondContact O-N 3.47Å; R277-F281 HydrophobicContact CG-CD2 4.08Å; R277-F281 WeakPolarHBondContact O-CD2 3.38Å; R277-F281 PolarHBondContact O-N 2.89Å; R277-W283 CarbonylContact C-O 3.57Å; R277-E345 IonicContact CZ-OE1 3.25Å; R277-E345 VanDerWaalsContact CZ-OE1 3.26Å; R277-E345 IonicContact NE-OE1 2.81Å; R277-E345 PolarHBondContact NE-OE1 3.12Å; R277-E345 IonicContact NH2-OE1 3.1Å; R277-E345 PolarHBondContact NH2-OE1 2.91Å; R277-E345 IonicContact NH2-OE2 3.87Å; R277-E345 PolarHBondContact NH2-OE2 3.26Å
278F91.4Very high81Confident28 Ų2874 Ų7412%0.12342%0.416CS..Hα-helixtrans-64.9-42.2174.8-168.8-85.8000111.3C275 A280 F281 G282 C284 H294 I299C275-F278 HydrophobicContact CB-CB 3.85Å; C275-F278 PolarHBondContact O-N 2.9Å; F278-A280 VanDerWaalsContact C-N 3.28Å; F278-A280 PolarHBondContact O-N 3.13Å; F278-F281 PolarHBondContact O-N 3.37Å; F278-G282 VanDerWaalsContact CE2-O 3.28Å; F278-G282 WeakPolarHBondContact CE2-O 2.92Å; F278-G282 VanDerWaalsContact O-CA 3.29Å; F278-G282 WeakPolarHBondContact O-CA 3.42Å; F278-G282 PolarHBondContact O-N 3.27Å; F278-C284 HydrophobicContact CB-CB 4.29Å; F278-C284 HydrophobicContact CD2-CB 4.32Å; F278-H294 HydrophobicContact CD1-CB 3.82Å; F278-H294 HydrophobicContact CD2-CB 4.03Å; F278-H294 AromaticContact CD2-CD2 3.94Å; F278-H294 AromaticContact CD2-CE1 3.99Å; F278-H294 AromaticContact CD2-CG 3.63Å; F278-H294 AromaticContact CD2-ND1 3.66Å; F278-H294 HydrophobicContact CE1-CB 3.87Å; F278-H294 WeakPolarHBondContact CE1-O 3.19Å; F278-H294 HydrophobicContact CE2-CB 4.08Å; F278-H294 HydrophobicContact CG-CB 3.9Å; F278-H294 AromaticContact CG-CD2 3.65Å; F278-H294 AromaticContact CG-CG 3.64Å; F278-H294 HydrophobicContact CZ-CB 4Å; F278-I299 HydrophobicContact CD1-CD1 3.7Å; F278-I299 HydrophobicContact CE1-CD1 4.15Å
279S90.6Very high82.4Confident20 Ų2080.3 Ų80.314%0.1444%0.439CS..Hα-helixtrans-56.8-40.1175.8168.60000112.8A215 C275 Q276 I299A215-S279 WeakPolarHBondContact CB-O 3.34Å; C275-S279 WeakPolarHBondContact O-CB 3.33Å; C275-S279 PolarHBondContact O-N 2.9Å; Q276-S279 PolarHBondContact O-N 3.48Å; S279-I299 WeakPolarHBondContact OG-CG2 3.27Å
280A87.9Confident84Confident40 Ų4071.8 Ų71.833%0.33140%0.402SS..Hα-helixtrans-79-39.2179.800000113.5Q276 R277 F278Q276-A280 WeakPolarHBondContact O-CB 3.37Å; Q276-A280 PolarHBondContact O-N 2.79Å; R277-A280 PolarHBondContact O-N 3.47Å; F278-A280 VanDerWaalsContact C-N 3.28Å; F278-A280 PolarHBondContact O-N 3.13Å
281F87.4Confident85.4Confident98 Ų9873.3 Ų73.343%0.4340%0.398SS..Hα-helixtrans-122.2-9.5-164.4-56.5-67.1000115.3R277 F278 W283R277-F281 HydrophobicContact CG-CD2 4.08Å; R277-F281 WeakPolarHBondContact O-CD2 3.38Å; R277-F281 PolarHBondContact O-N 2.89Å; F278-F281 PolarHBondContact O-N 3.37Å; F281-W283 PolarHBondContact O-N 3.07Å
282G88.3Confident87Confident25 Ų2571.5 Ų71.526%0.25839%0.391SS..SBendtrans71.712.1-173.200000113.7Y217 F278Y217-G282 VanDerWaalsContact CD1-N 3.33Å; F278-G282 VanDerWaalsContact CE2-O 3.28Å; F278-G282 WeakPolarHBondContact CE2-O 2.92Å; F278-G282 VanDerWaalsContact O-CA 3.29Å; F278-G282 WeakPolarHBondContact O-CA 3.42Å; F278-G282 PolarHBondContact O-N 3.27Å
283W87.4Confident88Confident99 Ų9966 Ų6638%0.37536%0.358SS..  trans-143.9149.3-179.3179.482.4000112.1R277 F281 P285R277-W283 CarbonylContact C-O 3.57Å; F281-W283 PolarHBondContact O-N 3.07Å; W283-P285 HydrophobicContact CH2-CB 3.88Å; W283-P285 HydrophobicContact CZ2-CB 4.24Å
284C88.3Confident88.3Confident8 Ų863 Ų635%0.05434%0.34CS..  trans-146.5133.6-179.6175.90000109.7F278 N286 G287 C290 H294F278-C284 HydrophobicContact CB-CB 4.29Å; F278-C284 HydrophobicContact CD2-CB 4.32Å; C284-N286 PolarHBondContact O-N 3.32Å; C284-G287 PolarHBondContact O-N 3.23Å; C284-C290 VanDerWaalsContact SG-SG 3.7Å; C284-H294 WeakPolarHBondContact CB-CE1 3.36Å; C284-H294 WeakPolarHBondContact CB-NE2 3.49Å; C284-H294 PolarHBondContact SG-NE2 3.27Å
285P85.1Confident88.3Confident70 Ų7064 Ų6446%0.45535%0.345SS..THydrogen-bonded Turntrans-63.9-28.5-178.826.2-35.5000112.8W283 G287W283-P285 HydrophobicContact CH2-CB 3.88Å; W283-P285 HydrophobicContact CZ2-CB 4.24Å; P285-G287 PolarHBondContact O-N 2.98Å
286N84.6Confident88.2Confident94 Ų9463.8 Ų63.850%0.50334%0.343SS..THydrogen-bonded Turntrans-76.9-10.4176.6-64-33.1000112.7C284 T288 K289 C290C284-N286 PolarHBondContact O-N 3.32Å; N286-T288 PolarHBondContact O-N 3.49Å; N286-K289 CarbonylContact O-C 3.53Å; N286-K289 WeakPolarHBondContact O-CA 3.44Å; N286-K289 VanDerWaalsContact O-CB 3.32Å; N286-K289 WeakPolarHBondContact O-CB 3.2Å; N286-K289 PolarHBondContact O-N 2.6Å; N286-C290 HydrophobicContact CB-CB 3.86Å; N286-C290 PolarHBondContact O-N 3.42Å
287G84Confident88.2Confident32 Ų3257.6 Ų57.633%0.3332%0.315SS..G310 helixtrans48.2-131.417800000112.8C284 P285 K289 C290 H294C284-G287 PolarHBondContact O-N 3.23Å; P285-G287 PolarHBondContact O-N 2.98Å; G287-K289 PolarHBondContact O-N 2.93Å; G287-C290 WeakPolarHBondContact O-CB 3.35Å; G287-C290 PolarHBondContact O-N 2.75Å; G287-H294 PolarHBondContact O-CE1 3.39Å
288T80.8Confident88.1Confident120 Ų12054.9 Ų54.974%0.73631%0.307SS*.G310 helixtrans-67.9-11.3177540000114.3N286 A419N286-T288 PolarHBondContact O-N 3.49Å; T288-A419 HydrophobicContact CG2-CB 4.41Å
289K87.3Confident88.1Confident187 Ų18753.6 Ų53.681%0.81330%0.301SS*.G310 helixtrans-91.42.6175.4-55.5178.4-178.6175.80112.6N286 G287N286-K289 CarbonylContact O-C 3.53Å; N286-K289 WeakPolarHBondContact O-CA 3.44Å; N286-K289 VanDerWaalsContact O-CB 3.32Å; N286-K289 WeakPolarHBondContact O-CB 3.2Å; N286-K289 PolarHBondContact O-N 2.6Å; G287-K289 PolarHBondContact O-N 2.93Å
290C87.2Confident88.1Confident21 Ų2152.7 Ų52.714%0.14229%0.294CS..  trans-65.3131.4177.8-164.50000110.6C284 N286 G287 L292 H294C284-C290 VanDerWaalsContact SG-SG 3.7Å; N286-C290 HydrophobicContact CB-CB 3.86Å; N286-C290 PolarHBondContact O-N 3.42Å; G287-C290 WeakPolarHBondContact O-CB 3.35Å; G287-C290 PolarHBondContact O-N 2.75Å; C290-L292 PolarHBondContact O-N 3.03Å; C290-H294 VanDerWaalsContact CB-CE1 3.48Å; C290-H294 WeakPolarHBondContact CB-CE1 3.24Å; C290-H294 WeakPolarHBondContact CB-NE2 3.47Å
291P88.8Confident88.2Confident106 Ų10653.2 Ų53.269%0.68829%0.292SS*.SBendtrans-73.6-13.6177.630.2-35.8000113.1
292L91.5Very high88.3Confident71 Ų7152.7 Ų52.737%0.37229%0.29SS..SBendtrans-97.6156-179.6-59.8177.8000110.9D273 C275 C290D273-L292 HydrophobicContact CB-CD2 3.99Å; C275-L292 HydrophobicContact CB-CB 3.75Å; C275-L292 HydrophobicContact CB-CD1 4.37Å; C290-L292 PolarHBondContact O-N 3.03Å
293S89.8Confident88.3Confident4 Ų452.8 Ų52.83%0.02829%0.285CS..BIsolated β-bridgetrans-69.1132.8-179.2-178.20000112D273 C275 D295D273-S293 PolarHBondContact O-N 3.35Å; C275-S293 WeakPolarHBondContact CB-O 3.5Å; C275-S293 PolarHBondContact N-O 2.95Å; S293-D295 VanDerWaalsContact OG-CB 3.31Å; S293-D295 WeakPolarHBondContact OG-CB 3.29Å; S293-D295 PolarHBondContact OG-N 3.44Å; S293-D295 VanDerWaalsContact OG-N 3.11Å
294H90.1Very high88.2Confident46 Ų4649 Ų4921%0.21327%0.272CS..  trans-102.913.2167.7-67.1176.7000111.7C275 F278 C284 G287 C290 T296C275-H294 WeakPolarHBondContact CB-CD2 3.41Å; F278-H294 HydrophobicContact CD1-CB 3.82Å; F278-H294 HydrophobicContact CD2-CB 4.03Å; F278-H294 AromaticContact CD2-CD2 3.94Å; F278-H294 AromaticContact CD2-CE1 3.99Å; F278-H294 AromaticContact CD2-CG 3.63Å; F278-H294 AromaticContact CD2-ND1 3.66Å; F278-H294 HydrophobicContact CE1-CB 3.87Å; F278-H294 WeakPolarHBondContact CE1-O 3.19Å; F278-H294 HydrophobicContact CE2-CB 4.08Å; F278-H294 HydrophobicContact CG-CB 3.9Å; F278-H294 AromaticContact CG-CD2 3.65Å; F278-H294 AromaticContact CG-CG 3.64Å; F278-H294 HydrophobicContact CZ-CB 4Å; C284-H294 WeakPolarHBondContact CB-CE1 3.36Å; C284-H294 WeakPolarHBondContact CB-NE2 3.49Å; C284-H294 PolarHBondContact SG-NE2 3.27Å; G287-H294 PolarHBondContact O-CE1 3.39Å; C290-H294 VanDerWaalsContact CB-CE1 3.48Å; C290-H294 WeakPolarHBondContact CB-CE1 3.24Å; C290-H294 WeakPolarHBondContact CB-NE2 3.47Å; H294-T296 PolarHBondContact O-N 3.11Å; H294-T296 VanDerWaalsContact O-N 3.09Å
295D89.8Confident88.1Confident40 Ų4055.4 Ų55.421%0.21430%0.298CS..  trans-69.2107.5-179.9-174.7-16.9000110.7T268 S293 D297 L298 I299T268-D295 PolarHBondContact OG1-OD2 3.09Å; S293-D295 VanDerWaalsContact OG-CB 3.31Å; S293-D295 WeakPolarHBondContact OG-CB 3.29Å; S293-D295 PolarHBondContact OG-N 3.44Å; S293-D295 VanDerWaalsContact OG-N 3.11Å; D295-D297 PolarHBondContact O-N 3.16Å; D295-D297 VanDerWaalsContact OD1-CB 3.32Å; D295-D297 WeakPolarHBondContact OD1-CB 3.29Å; D295-D297 PolarHBondContact OD1-N 3.35Å; D295-L298 HydrophobicContact CB-CB 4.09Å; D295-L298 HydrophobicContact CB-CD1 3.85Å; D295-L298 HydrophobicContact CB-CG 3.98Å; D295-L298 PolarHBondContact O-N 3.25Å; D295-L298 PolarHBondContact OD1-N 2.75Å; D295-L298 WeakPolarHBondContact OD2-CG 3.13Å; D295-I299 WeakPolarHBondContact O-CD1 3.47Å; D295-I299 VanDerWaalsContact O-CG1 3.29Å; D295-I299 WeakPolarHBondContact O-CG1 3.35Å; D295-I299 PolarHBondContact O-N 3.04Å
296T90.4Very high88.1Confident3 Ų354.9 Ų54.92%0.01830%0.295CS..Hα-helixtrans-57.4-32.7179.4-49.60000112.5Y217 E219 Y220 K223 H294 I299 I300Y217-T296 HydrophobicContact CE2-CG2 4.28Å; E219-T296 HydrophobicContact CG-CG2 4.48Å; E219-T296 WeakPolarHBondContact OE1-CB 3.48Å; E219-T296 PolarHBondContact OE1-OG1 2.88Å; E219-T296 PolarHBondContact OE2-OG1 3.35Å; Y220-T296 HydrophobicContact CD2-CG2 4.43Å; K223-T296 HydrophobicContact CD-CG2 3.77Å; H294-T296 PolarHBondContact O-N 3.11Å; H294-T296 VanDerWaalsContact O-N 3.09Å; T296-I299 PolarHBondContact O-N 3.27Å; T296-I300 HydrophobicContact CG2-CD1 4.06Å; T296-I300 WeakPolarHBondContact O-CD1 3.34Å; T296-I300 VanDerWaalsContact O-CG1 3.27Å; T296-I300 WeakPolarHBondContact O-CG1 3.29Å; T296-I300 PolarHBondContact O-N 2.76Å
297D90.3Very high88Confident14 Ų1454.7 Ų54.78%0.07529%0.29CS..Hα-helixtrans-68.8-45.5179.5-69.88.7000110.3K223 V265 T266 D295 I299 I300 L301K223-D297 VanDerWaalsContact CD-OD1 3.27Å; K223-D297 WeakPolarHBondContact CD-OD1 3.37Å; K223-D297 VanDerWaalsContact CE-OD1 3.31Å; K223-D297 WeakPolarHBondContact CE-OD1 3.31Å; K223-D297 IonicContact NZ-OD1 3.12Å; K223-D297 PolarHBondContact NZ-OD1 2.82Å; K223-D297 VanDerWaalsContact NZ-OD1 3.07Å; V265-D297 WeakPolarHBondContact CA-OD2 3.28Å; V265-D297 HydrophobicContact CG1-CB 3.74Å; T266-D297 PolarHBondContact N-OD2 2.81Å; D295-D297 PolarHBondContact O-N 3.16Å; D295-D297 VanDerWaalsContact OD1-CB 3.32Å; D295-D297 WeakPolarHBondContact OD1-CB 3.29Å; D295-D297 PolarHBondContact OD1-N 3.35Å; D297-I299 VanDerWaalsContact C-N 3.34Å; D297-I299 PolarHBondContact O-N 3.49Å; D297-I300 PolarHBondContact O-N 3.4Å; D297-L301 VanDerWaalsContact O-CG 3.28Å; D297-L301 WeakPolarHBondContact O-CG 3.22Å; D297-L301 PolarHBondContact O-N 3Å
298L90.1Very high87.9Confident27 Ų2757.1 Ų57.114%0.14130%0.296CS..Hα-helixtrans-61.8-42.3174.9-67.9179.5000111.6Q271 D295 I300 L301 Q302Q271-L298 WeakPolarHBondContact O-CD1 3.49Å; D295-L298 HydrophobicContact CB-CB 4.09Å; D295-L298 HydrophobicContact CB-CD1 3.85Å; D295-L298 HydrophobicContact CB-CG 3.98Å; D295-L298 PolarHBondContact O-N 3.25Å; D295-L298 PolarHBondContact OD1-N 2.75Å; D295-L298 WeakPolarHBondContact OD2-CG 3.13Å; L298-I300 PolarHBondContact O-N 2.97Å; L298-L301 PolarHBondContact O-N 2.82Å; L298-Q302 WeakPolarHBondContact O-CB 3.34Å; L298-Q302 PolarHBondContact O-N 3.35Å
299I91.3Very high88Confident1 Ų155.1 Ų55.11%0.00528%0.28CS..Hα-helixtrans-56.6-50.7175.7-68.4160.2000110.7Y220 V274 F278 S279 D295 T296 D297 L301 Q302 D303Y220-I299 HydrophobicContact CD2-CG2 4.13Å; Y220-I299 HydrophobicContact CE2-CG2 3.93Å; V274-I299 HydrophobicContact CB-CG1 4.36Å; V274-I299 HydrophobicContact CG1-CD1 4.21Å; V274-I299 HydrophobicContact CG1-CG1 3.44Å; V274-I299 VanDerWaalsContact CG1-CG1 3.44Å; V274-I299 HydrophobicContact CG2-CG1 3.96Å; F278-I299 HydrophobicContact CD1-CD1 3.7Å; F278-I299 HydrophobicContact CE1-CD1 4.15Å; S279-I299 WeakPolarHBondContact OG-CG2 3.27Å; D295-I299 WeakPolarHBondContact O-CD1 3.47Å; D295-I299 VanDerWaalsContact O-CG1 3.29Å; D295-I299 WeakPolarHBondContact O-CG1 3.35Å; D295-I299 PolarHBondContact O-N 3.04Å; T296-I299 PolarHBondContact O-N 3.27Å; D297-I299 VanDerWaalsContact C-N 3.34Å; D297-I299 PolarHBondContact O-N 3.49Å; I299-L301 PolarHBondContact O-N 3.46Å; I299-Q302 PolarHBondContact O-N 2.9Å; I299-D303 WeakPolarHBondContact O-CB 3.33Å; I299-D303 PolarHBondContact O-N 3.38Å
300I90.9Very high87.8Confident0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-59.8-46-179.7-73.2164.9000111.1Y220 K223 K224 L227 T296 D297 L298 Q302 D303 E304Y220-I300 HydrophobicContact CD2-CD1 4.27Å; Y220-I300 HydrophobicContact CD2-CG1 3.6Å; Y220-I300 HydrophobicContact CE2-CG1 3.52Å; Y220-I300 HydrophobicContact CG-CG1 4.33Å; K223-I300 HydrophobicContact CB-CD1 3.47Å; K223-I300 VanDerWaalsContact CB-CD1 3.47Å; K224-I300 HydrophobicContact CB-CD1 4.26Å; K224-I300 HydrophobicContact CD-CG2 3.88Å; L227-I300 HydrophobicContact CD2-CG2 3.8Å; T296-I300 HydrophobicContact CG2-CD1 4.06Å; T296-I300 WeakPolarHBondContact O-CD1 3.34Å; T296-I300 VanDerWaalsContact O-CG1 3.27Å; T296-I300 WeakPolarHBondContact O-CG1 3.29Å; T296-I300 PolarHBondContact O-N 2.76Å; D297-I300 PolarHBondContact O-N 3.4Å; L298-I300 PolarHBondContact O-N 2.97Å; I300-Q302 PolarHBondContact O-N 3.37Å; I300-D303 PolarHBondContact O-N 3.34Å; I300-E304 WeakPolarHBondContact O-CG 3.43Å; I300-E304 PolarHBondContact O-N 3.3Å; I300-E304 VanDerWaalsContact O-N 3.07Å
301L89.6Confident87.5Confident52 Ų5260.1 Ų60.127%0.27230%0.295SS..Hα-helixtrans-64.9-39.9-179.4-68.1172.8000112V265 D297 L298 I299 K305V265-L301 HydrophobicContact CG1-CG 4.36Å; D297-L301 VanDerWaalsContact O-CG 3.28Å; D297-L301 WeakPolarHBondContact O-CG 3.22Å; D297-L301 PolarHBondContact O-N 3Å; L298-L301 PolarHBondContact O-N 2.82Å; I299-L301 PolarHBondContact O-N 3.46Å; L301-K305 PolarHBondContact O-N 3.36Å; L301-K305 VanDerWaalsContact O-N 3.12Å
302Q88.4Confident87.2Confident86 Ų8661 Ų6140%0.40229%0.287SS..Hα-helixtrans-66.4-41.5177-174.6172.70.200111.9L298 I299 I300 K305 C306L298-Q302 WeakPolarHBondContact O-CB 3.34Å; L298-Q302 PolarHBondContact O-N 3.35Å; I299-Q302 PolarHBondContact O-N 2.9Å; I300-Q302 PolarHBondContact O-N 3.37Å; Q302-K305 PolarHBondContact O-N 2.99Å; Q302-C306 WeakPolarHBondContact O-CB 3.35Å; Q302-C306 PolarHBondContact O-N 3.2Å; Q302-C306 PolarHBondContact O-SG 2.88Å
303D88.1Confident86.8Confident27 Ų2766.3 Ų66.314%0.14430%0.303CS..Hα-helixtrans-61.3-44.2176.2-85.7-10000112.4T214 Y220 I299 I300 C306 K307T214-D303 WeakPolarHBondContact CB-OD2 3.27Å; T214-D303 WeakPolarHBondContact CG2-OD2 3.04Å; T214-D303 PolarHBondContact OG1-OD2 3.26Å; Y220-D303 PolarHBondContact OH-OD2 3.43Å; I299-D303 WeakPolarHBondContact O-CB 3.33Å; I299-D303 PolarHBondContact O-N 3.38Å; I300-D303 PolarHBondContact O-N 3.34Å; D303-C306 PolarHBondContact O-N 3.05Å; D303-K307 WeakPolarHBondContact O-CB 3.5Å; D303-K307 WeakPolarHBondContact O-CG 3.49Å; D303-K307 PolarHBondContact O-N 3.21Å
304E86.3Confident86.5Confident21 Ų2174.8 Ų74.810%0.09833%0.334CS..Hα-helixtrans-62-44.3176.8-74.6-171.5155.300111.9K224 R231 I300 K307 N308K224-E304 IonicContact NZ-OE1 3Å; K224-E304 PolarHBondContact NZ-OE1 3.41Å; R231-E304 IonicContact CZ-OE1 3.7Å; R231-E304 IonicContact CZ-OE2 2.58Å; R231-E304 VanDerWaalsContact CZ-OE2 3.25Å; R231-E304 IonicContact NH1-OE1 3.57Å; R231-E304 PolarHBondContact NH1-OE1 2.87Å; R231-E304 IonicContact NH1-OE2 2.7Å; R231-E304 PolarHBondContact NH1-OE2 3.5Å; R231-E304 IonicContact NH2-OE1 2.75Å; R231-E304 IonicContact NH2-OE2 2.68Å; R231-E304 PolarHBondContact NH2-OE2 3.46Å; I300-E304 WeakPolarHBondContact O-CG 3.43Å; I300-E304 PolarHBondContact O-N 3.3Å; I300-E304 VanDerWaalsContact O-N 3.07Å; E304-K307 PolarHBondContact O-N 3.24Å; E304-N308 WeakPolarHBondContact O-CB 3.39Å; E304-N308 VanDerWaalsContact O-CG 3.3Å; E304-N308 PolarHBondContact O-N 3.14Å; E304-N308 PolarHBondContact O-ND2 3.06Å
305K86.4Confident86.2Confident142 Ų14279.5 Ų79.562%0.61735%0.354SS*.Hα-helixtrans-60.5-47.9176.6-171.6178179.3-178.20110.8L301 Q302 K307 N308 D309L301-K305 PolarHBondContact O-N 3.36Å; L301-K305 VanDerWaalsContact O-N 3.12Å; Q302-K305 PolarHBondContact O-N 2.99Å; K305-K307 PolarHBondContact O-N 3.22Å; K305-N308 PolarHBondContact O-N 2.9Å; K305-D309 WeakPolarHBondContact O-CB 3.46Å; K305-D309 PolarHBondContact O-N 2.92Å
306C84.2Confident86Confident58 Ų5885.9 Ų85.939%0.39238%0.375SS..Hα-helixtrans-59.4-43.8176.8-71.70000112.6Q302 D303 K310Q302-C306 WeakPolarHBondContact O-CB 3.35Å; Q302-C306 PolarHBondContact O-N 3.2Å; Q302-C306 PolarHBondContact O-SG 2.88Å; D303-C306 PolarHBondContact O-N 3.05Å; C306-K310 WeakPolarHBondContact O-CB 3.45Å; C306-K310 VanDerWaalsContact O-CG 3.31Å; C306-K310 WeakPolarHBondContact O-CG 3.41Å; C306-K310 PolarHBondContact O-N 3.26Å
307K83.7Confident85.6Confident90 Ų9090.5 Ų90.539%0.39140%0.399SS..Hα-helixtrans-62.5-45.1176.2-77.5-179.9178.5178.20111.5T214 D303 E304 K305 K310 R311T214-K307 WeakPolarHBondContact OG1-CE 3.38Å; T214-K307 PolarHBondContact OG1-NZ 3.07Å; D303-K307 WeakPolarHBondContact O-CB 3.5Å; D303-K307 WeakPolarHBondContact O-CG 3.49Å; D303-K307 PolarHBondContact O-N 3.21Å; E304-K307 PolarHBondContact O-N 3.24Å; K305-K307 PolarHBondContact O-N 3.22Å; K307-K310 PolarHBondContact O-N 3.29Å; K307-R311 PolarHBondContact O-N 3.24Å
308N80.9Confident85.1Confident83 Ų8399.3 Ų99.344%0.44443%0.431SS..Hα-helixtrans-64.1-41.3178.7-76.6-28.7000112.6E304 K305 R311 K312E304-N308 WeakPolarHBondContact O-CB 3.39Å; E304-N308 VanDerWaalsContact O-CG 3.3Å; E304-N308 PolarHBondContact O-N 3.14Å; E304-N308 PolarHBondContact O-ND2 3.06Å; K305-N308 PolarHBondContact O-N 2.9Å; N308-R311 PolarHBondContact O-N 3.03Å; N308-K312 WeakPolarHBondContact O-CG 3.09Å; N308-K312 PolarHBondContact O-N 3.37Å
309D82.8Confident84.7Confident78 Ų78102.5 Ų102.542%0.41745%0.448SS..Hα-helixtrans-68.1-40.5178.3-70.7-19.9000111.7K305 R311 K312 R313K305-D309 WeakPolarHBondContact O-CB 3.46Å; K305-D309 PolarHBondContact O-N 2.92Å; D309-R311 VanDerWaalsContact C-N 3.33Å; D309-R311 PolarHBondContact O-N 3.14Å; D309-K312 PolarHBondContact O-N 3.23Å; D309-R313 WeakPolarHBondContact O-CB 3.43Å; D309-R313 PolarHBondContact O-N 3.4Å
310K83Confident84.1Confident121 Ų121110.3 Ų110.353%0.52648%0.482SS..Hα-helixtrans-58.9-43.9170.7-74.4174.5-177.5176.20111.2C306 K307 R313 R314C306-K310 WeakPolarHBondContact O-CB 3.45Å; C306-K310 VanDerWaalsContact O-CG 3.31Å; C306-K310 WeakPolarHBondContact O-CG 3.41Å; C306-K310 PolarHBondContact O-N 3.26Å; K307-K310 PolarHBondContact O-N 3.29Å; K310-R313 PolarHBondContact O-N 3.36Å; K310-R314 WeakPolarHBondContact O-CG 3.24Å; K310-R314 PolarHBondContact O-N 3.24Å
311R80.9Confident83Confident193 Ų193118.6 Ų118.673%0.72852%0.518SS*.Hα-helixtrans-63.6-45.4177.2-170.1177.3-179.2-179.71.6112K307 N308 D309 R313 R314 K315K307-R311 PolarHBondContact O-N 3.24Å; N308-R311 PolarHBondContact O-N 3.03Å; D309-R311 VanDerWaalsContact C-N 3.33Å; D309-R311 PolarHBondContact O-N 3.14Å; R311-R313 PolarHBondContact O-N 3.26Å; R311-R314 PolarHBondContact O-N 3.28Å; R311-K315 PolarHBondContact O-N 2.78Å
312K83.4Confident81.3Confident123 Ų123119.4 Ų119.454%0.53554%0.54SS..Hα-helixtrans-61.1-42.5175.1-73.1173.2-176.5172.60111.7N308 D309 K315 R316N308-K312 WeakPolarHBondContact O-CG 3.09Å; N308-K312 PolarHBondContact O-N 3.37Å; D309-K312 PolarHBondContact O-N 3.23Å; K312-K315 PolarHBondContact O-N 3.21Å; K312-R316 WeakPolarHBondContact O-CG 3.44Å; K312-R316 PolarHBondContact O-N 2.77Å
313R82.1Confident79.8Confident184 Ų184119.7 Ų119.769%0.69456%0.557SS**Hα-helixtrans-63-44.3176.4-174.2177.2177-177.8-1111.8D309 K310 R311 R316 L317D309-R313 WeakPolarHBondContact O-CB 3.43Å; D309-R313 PolarHBondContact O-N 3.4Å; K310-R313 PolarHBondContact O-N 3.36Å; R311-R313 PolarHBondContact O-N 3.26Å; R313-R316 PolarHBondContact O-N 3.48Å; R313-L317 HydrophobicContact CG-CD1 4.33Å; R313-L317 WeakPolarHBondContact O-CG 3.45Å; R313-L317 PolarHBondContact O-N 2.86Å
314R83.5Confident77.8Confident182 Ų182123 Ų12369%0.68758%0.581SS**Hα-helixtrans-61.1-43.6174.9-72.7176.2-177.3-178.6-0.5111.8K310 R311 L317 R318K310-R314 WeakPolarHBondContact O-CG 3.24Å; K310-R314 PolarHBondContact O-N 3.24Å; R311-R314 PolarHBondContact O-N 3.28Å; R314-L317 PolarHBondContact O-N 3.35Å; R314-R318 PolarHBondContact O-N 2.84Å
315K85.3Confident75.9Confident144 Ų144128.9 Ų128.963%0.62661%0.614SS**Hα-helixtrans-59.1-49.8175.5-171.9177.4178.3-1800111.5R311 K312 L317 R318 D319R311-K315 PolarHBondContact O-N 2.78Å; K312-K315 PolarHBondContact O-N 3.21Å; K315-L317 VanDerWaalsContact C-N 3.3Å; K315-L317 PolarHBondContact O-N 2.8Å; K315-R318 PolarHBondContact O-N 3.34Å; K315-R318 VanDerWaalsContact O-N 3.1Å; K315-D319 PolarHBondContact O-N 2.93Å
316R85.4Confident73.6Confident175 Ų175128.1 Ų128.166%0.6662%0.621SS**Hα-helixtrans-58.1-38.2176.4-70.3174.5-177.3-179.40.7113.3K312 R313 K320K312-R316 WeakPolarHBondContact O-CG 3.44Å; K312-R316 PolarHBondContact O-N 2.77Å; R313-R316 PolarHBondContact O-N 3.48Å; R316-K320 WeakPolarHBondContact O-CB 3.31Å; R316-K320 WeakPolarHBondContact O-CG 3.48Å; R316-K320 PolarHBondContact O-N 2.65Å
317L81.3Confident71.8Confident100 Ų100129.1 Ų129.152%0.52464%0.641SS.*Hα-helixtrans-68.4-37.5177.1-75.9165.9000112.2R313 R314 K315 K321R313-L317 HydrophobicContact CG-CD1 4.33Å; R313-L317 WeakPolarHBondContact O-CG 3.45Å; R313-L317 PolarHBondContact O-N 2.86Å; R314-L317 PolarHBondContact O-N 3.35Å; K315-L317 VanDerWaalsContact C-N 3.3Å; K315-L317 PolarHBondContact O-N 2.8Å; L317-K321 PolarHBondContact O-N 3.23Å; L317-K321 VanDerWaalsContact O-N 3.11Å
318R80.8Confident69.5Low199 Ų199134.7 Ų134.775%0.75167%0.665SS**Hα-helixtrans-70-42175.9-174.8172.6147.5-156.5-6.7111.6R314 K315 K320 K321 G322R314-R318 PolarHBondContact O-N 2.84Å; K315-R318 PolarHBondContact O-N 3.34Å; K315-R318 VanDerWaalsContact O-N 3.1Å; R318-K320 VanDerWaalsContact C-N 3.31Å; R318-K320 PolarHBondContact O-N 2.89Å; R318-K321 PolarHBondContact O-N 2.84Å; R318-K321 VanDerWaalsContact O-N 3.16Å; R318-G322 PolarHBondContact O-N 2.75Å
319D81.4Confident67.3Low94 Ų94138.9 Ų138.950%0.50369%0.688SS.*Hα-helixtrans-64.1-36.2176.2-60.4-18.5000111.4K315 G322K315-D319 PolarHBondContact O-N 2.93Å; D319-G322 PolarHBondContact O-N 3.03Å
320K78.4Confident64.7Low164 Ų164140.6 Ų140.671%0.71371%0.705SS**Hα-helixtrans-68.6-33.4172.8-77.8-177178-168.50113.7R316 R318R316-K320 WeakPolarHBondContact O-CB 3.31Å; R316-K320 WeakPolarHBondContact O-CG 3.48Å; R316-K320 PolarHBondContact O-N 2.65Å; R318-K320 VanDerWaalsContact C-N 3.31Å; R318-K320 PolarHBondContact O-N 2.89Å
321K66.8Low62.2Low174 Ų174140.5 Ų140.576%0.75772%0.719SS**Hα-helixtrans-76.4-28.1174.7-85.2-172.8172.7-172.60112.8L317 R318 A323 S324L317-K321 PolarHBondContact O-N 3.23Å; L317-K321 VanDerWaalsContact O-N 3.11Å; R318-K321 PolarHBondContact O-N 2.84Å; R318-K321 VanDerWaalsContact O-N 3.16Å; K321-A323 PolarHBondContact O-N 3.15Å; K321-S324 PolarHBondContact O-N 3Å
322G54.6Low59.8Low70 Ų70137.6 Ų137.672%0.72272%0.723SS**THydrogen-bonded Turntrans-71.8-9.6176.400000115.2R318 D319R318-G322 PolarHBondContact O-N 2.75Å; D319-G322 PolarHBondContact O-N 3.03Å
323A56Low57.1Low92 Ų92136.6 Ų136.676%0.7673%0.731SS**THydrogen-bonded Turntrans-95.53.2176.900000113.9K321K321-A323 PolarHBondContact O-N 3.15Å
324S47.7Very low54.6Low95 Ų95134.4 Ų134.466%0.66473%0.733SS**SBendtrans-136.996.1-180161.30000108.2K321K321-S324 PolarHBondContact O-N 3Å
325D45.6Very low52Low146 Ų146128.5 Ų128.578%0.78173%0.729SS**  trans-70.8162.5-171.3-164.820.3000114.7
326T39Very low49.3Very low126 Ų126125.2 Ų125.277%0.77373%0.729SS**  trans98.997.7168.768.10000118.6
327G45.4Very low46.8Very low79 Ų79121.8 Ų121.881%0.81473%0.729SS**  64.486.4128.700000119.2
328K34.4Very low44.3Very low206 Ų206123.4 Ų123.490%0.89674%0.743SS**  trans-163.3115.1139.5-134.2166.2-177.3171.50111.1C330K328-C330 PolarHBondContact O-N 3.25Å
329D34.8Very low42.2Very low172 Ų172120.5 Ų120.592%0.9274%0.743SS**  trans-56.1126.2167.7-100.7-31.1000109.7
330C28.3Very low40.3Very low113 Ų113121.6 Ų121.676%0.76474%0.743SS**  trans-138.193.7169.2-146.60000107.2K328 V332K328-C330 PolarHBondContact O-N 3.25Å; C330-V332 PolarHBondContact O-N 2.9Å
331S31.1Very low38.4Very low119 Ų119119.9 Ų119.983%0.83274%0.739SS**  trans-62.993.4171.353.10000109.3S333S331-S333 PolarHBondContact O-N 2.71Å
332V31.6Very low36.7Very low132 Ų132116 Ų11680%0.874%0.74SS**  trans-86.297166.2-178.10000106.6C330 D334C330-V332 PolarHBondContact O-N 2.9Å; V332-D334 PolarHBondContact O-N 2.75Å
333S26.3Very low35.8Very low102 Ų102117.4 Ų117.471%0.71373%0.73SS**  trans-53.1134168.453.60000109.9S331 G335S331-S333 PolarHBondContact O-N 2.71Å; S333-G335 PolarHBondContact O-N 3.18Å
334D30Very low34.7Very low139 Ų139120.8 Ų120.874%0.74373%0.733SS**  trans-71.173.3179.2-1447.5000109.9V332V332-D334 PolarHBondContact O-N 2.75Å
335G27Very low34.4Very low57 Ų57119.8 Ų119.859%0.58872%0.717SS**  trans-78.1145.7177.900000111.9S333S333-G335 PolarHBondContact O-N 3.18Å
336A29.1Very low33.7Very low76 Ų76120.2 Ų120.263%0.62871%0.714SS**  trans-48.7154.6176.400000112.9T338A336-T338 PolarHBondContact O-N 3.46Å
337P32.4Very low33.3Very low102 Ų102120 Ų12066%0.66271%0.709SS**  trans-59.7115.5-178.4-1527.6000110.7N339P337-N339 PolarHBondContact O-N 2.83Å
338T29.7Very low32.5Very low135 Ų135125.5 Ų125.583%0.82871%0.71SS**SBendtrans-71.913.3-17750.60000115A336A336-T338 PolarHBondContact O-N 3.46Å
339N36.3Very low32.4Very low137 Ų137123.8 Ų123.873%0.73371%0.706SS**  trans-120.849.3-178.3-76.423.6000111.5P337P337-N339 PolarHBondContact O-N 2.83Å
340K41.9Very low32.1Very low117 Ų117125.2 Ų125.251%0.50971%0.707SS.*PPolyproline II helixtrans-90.7122.7160.2-77.1-174.8171.7176.50107.3E208 A342E208-K340 VanDerWaalsContact CD-NZ 3.31Å; E208-K340 IonicContact OE1-NZ 3.03Å; E208-K340 PolarHBondContact OE1-NZ 2.8Å; K340-A342 PolarHBondContact O-N 3.18Å; K340-A342 VanDerWaalsContact O-N 3.13Å
341M38.3Very low32.1Very low129 Ų129124.5 Ų124.564%0.63571%0.709SS**PPolyproline II helixtrans-54.1120.8171.4-74.8174.386.300107.6N343M341-N343 PolarHBondContact O-N 2.9Å
342A31Very low31.9Very low93 Ų93124 Ų12477%0.76971%0.712SS**PPolyproline II helixtrans-62.2133173.500000108.3K340 M344K340-A342 PolarHBondContact O-N 3.18Å; K340-A342 VanDerWaalsContact O-N 3.13Å; A342-M344 PolarHBondContact O-N 3.1Å
343N36Very low31.6Very low98 Ų98121.4 Ų121.452%0.52471%0.712SS.*  trans-63.5106.3179.2-153.715.7000108.6M341M341-N343 PolarHBondContact O-N 2.9Å
344M32.9Very low31.7Very low164 Ų164124 Ų12481%0.80872%0.718SS**  trans-141.990.7168.3-124.8178.7174.900107.3A342A342-M344 PolarHBondContact O-N 3.1Å
345E41.2Very low31.5Very low74 Ų74126.6 Ų126.635%0.34673%0.725SS.*  trans-99.891.8160.6-69.4-174.5-168.300106.6R46 R277R46-E345 IonicContact NH2-OE2 3.87Å; R277-E345 IonicContact CZ-OE1 3.25Å; R277-E345 VanDerWaalsContact CZ-OE1 3.26Å; R277-E345 IonicContact NE-OE1 2.81Å; R277-E345 PolarHBondContact NE-OE1 3.12Å; R277-E345 IonicContact NH2-OE1 3.1Å; R277-E345 PolarHBondContact NH2-OE1 2.91Å; R277-E345 IonicContact NH2-OE2 3.87Å; R277-E345 PolarHBondContact NH2-OE2 3.26Å
346E30.3Very low31.5Very low154 Ų154133.3 Ų133.372%0.7274%0.738SS**  trans-81104.4149.9-79.9-177.5171.400106.4K348E346-K348 PolarHBondContact O-N 3.19Å
347D30.9Very low31.3Very low123 Ų123139 Ų13966%0.65875%0.752SS**  trans-67109.2157.6-76.6-33.5000106.8E349D347-E349 PolarHBondContact O-N 3.16Å
348K28.9Very low30.9Very low193 Ų193138.7 Ų138.784%0.83976%0.758SS**  trans-72.4102.8159.5-77.1-173.3176.8-177.30106.8E346E346-K348 PolarHBondContact O-N 3.19Å
349E32.2Very low30.6Very low171 Ų171139.8 Ų139.880%0.79976%0.759SS**  trans-57.9137.6165-80177.2168.100109.9D347 A351D347-E349 PolarHBondContact O-N 3.16Å; E349-A351 PolarHBondContact O-N 2.9Å
350E29.5Very low30Very low201 Ų201140 Ų14094%0.93976%0.756SS**  trans-59.7116.6170.1-66.1-178.9151.900109.7
351A26.8Very low29.2Very low99 Ų99142.1 Ų142.182%0.81877%0.765SS**  trans-124106.716100000108.2E349E349-A351 PolarHBondContact O-N 2.9Å
352A26.7Very low28.3Very low109 Ų109140.8 Ų140.890%0.90177%0.768SS**  trans176.783.4142.600000109.7
353G26.2Very low27.9Very low76 Ų76141.9 Ų141.978%0.78477%0.769SS**  trans-107117.4154.100000107.6Q355G353-Q355 PolarHBondContact O-N 3.42Å
354D27.4Very low27.3Very low157 Ų157143.2 Ų143.284%0.8478%0.78SS**  trans-30.8123.6180-92.4-33000115.8
355Q27.2Very low26.8Very low193 Ų193143.5 Ų143.590%0.90279%0.785SS**  trans-130.3115.5145.3-76.7-171.2-9.200108.8G353G353-Q355 PolarHBondContact O-N 3.42Å
356K26.3Very low25.9Very low198 Ų198143.3 Ų143.386%0.86180%0.803SS**  trans-63135.4172.5-74.5177.6175.2177.10110
357E24.3Very low25.6Very low195 Ų195143.4 Ų143.491%0.91181%0.809SS**  trans-55.7138.6167.1-69.8173.2143.300111.9
358A24.9Very low25.3Very low96 Ų96142.5 Ų142.579%0.79381%0.812SS**  trans-149.391.714600000108.1
359D22.9Very low25Very low159 Ų159140.3 Ų140.385%0.8580%0.804SS**  trans34.4140.4132.9-94.2-31.7000123.4
360E23.8Very low24.7Very low142 Ų142140 Ų14066%0.66481%0.805SS**  trans97.5109148.7-71.9-161.5155.500122.5
361K24.5Very low24.4Very low161 Ų161137.1 Ų137.170%0.780%0.796SS**  81.7106.9126-74.2171.3179.2149.80121.3
362S21.1Very low24.3Very low101 Ų101138.7 Ų138.771%0.70679%0.791SS**  trans10.5128.4131.9730000119.7
363C21.6Very low24.2Very low116 Ų116136.3 Ų136.378%0.78478%0.777SS**  162.6145.6100.3-890000110.9
364T22.9Very low24.2Very low125 Ų125143.6 Ų143.677%0.76778%0.781SS**  trans-61142164.642.80000112.5
365D24.2Very low24Very low170 Ų170143.2 Ų143.291%0.90978%0.779SS**  -174.4151.5126.6-98.6-20.7000111.8
366G21.7Very low24.1Very low70 Ų70141.2 Ų141.272%0.72277%0.771SS**  trans-98.7-177.2-172.600000116
367N22.9Very low24Very low157 Ų157139.3 Ų139.384%0.8476%0.763SS**  trans79.6114.4154.6-142.937.5000118.4
368S25Very low24.1Very low103 Ų103136.1 Ų136.172%0.7275%0.752SS**  162.9124.7111.5640000113.9
369H23.3Very low24.1Very low148 Ų148137.3 Ų137.369%0.68575%0.745SS**  trans47129.1132-92.1-70.9000124.3
370M24.9Very low24.3Very low163 Ų163136.7 Ų136.780%0.80374%0.742SS**  trans58.8148.8130.2-79.3172.9-176.100118.7
371D24Very low24.5Very low141 Ų141138.9 Ų138.975%0.75475%0.752SS**  cis-174.5-179-0.7177.126.2000104.4
372D25.1Very low24.6Very low132 Ų132139.7 Ų139.771%0.70676%0.758SS**  trans104.7107.4158-96.1-24.4000118.3
373G23.5Very low24.8Very low60 Ų60142.3 Ų142.362%0.61976%0.759SS**  trans-84.8172.2165.400000113.3
374R26.4Very low25Very low229 Ų229143.8 Ų143.886%0.86476%0.759SS**  trans177.6109.5142.1-99172.9-126.4-167.51.4106.5
375D24.4Very low25Very low148 Ų148141 Ų14179%0.79176%0.755SS**  73.4138.176.1-120.8-17.7000116.2
376M27.7Very low25.1Very low152 Ų152140 Ų14075%0.74976%0.755SS**  trans81.3146.7166.7-60.3-113.3163.800119.1
377K25.4Very low25.2Very low157 Ų157140.5 Ų140.568%0.68376%0.761SS**  cis172.8142.9-31.2-117-173.5178.5-179.30104.6
378N25.3Very low25.3Very low128 Ų128140.9 Ų140.968%0.68476%0.757SS**  trans64.7149.8143.8-76.742.1000118.7
379D26.1Very low25.3Very low122 Ų122143 Ų14365%0.65276%0.761SS**  cis-157.9138.115.3-84.4-32.8000106.4
380D26.7Very low25.5Very low146 Ų146143.4 Ų143.478%0.78176%0.76SS**  72.4142.2101.6-73-32000119.5
381E27.6Very low25.4Very low188 Ų188142.4 Ų142.488%0.87976%0.764SS**  trans103.8149.8147.3-82.4176.6-154.700123.7
382E26.6Very low25.5Very low177 Ų177143 Ų14383%0.82777%0.767SS**  trans-97.9179.5-146.2-59.7179.8129.700116.7
383E26.4Very low26.4Very low156 Ų156142.2 Ų142.273%0.72977%0.769SS**  trans96.9112.5143.6-76.5-145.9124.700122.9
384N24.5Very low26.4Very low147 Ų147143.1 Ų143.179%0.78678%0.778SS**  58.6137.8120-73-29.9000124.3
385G24.1Very low26.3Very low66 Ų66139.9 Ų139.968%0.6878%0.778SS**  trans140.884.7157.400000114.5
386V25.5Very low26.3Very low150 Ų150138.9 Ų138.991%0.90978%0.782SS**  62.6125.895.4-175.30000116.7
387G25Very low26.1Very low81 Ų81136 Ų13684%0.83578%0.783SS**  trans-174.4100.9161.100000112.4
388E25Very low26Very low164 Ų164134.7 Ų134.777%0.76679%0.788SS**  trans-83.3155.5176-60.2-179.6137.200113
389D24.3Very low25.9Very low148 Ų148133.3 Ų133.379%0.79179%0.788SS**  -170105.2129.6-140.94.2000110.2
390K26.2Very low25.9Very low156 Ų156134.6 Ų134.668%0.67880%0.8SS**  37.3126.4103.8-56.2-174.5178.5169.40115.6
391T24.6Very low25.7Very low143 Ų143131 Ų13188%0.87780%0.798SS**  -173.6171.167.832.40000111
392N24.7Very low25.5Very low153 Ų153131.7 Ų131.782%0.81880%0.801SS**  trans-114.3-155.7-149.4-152.922.5000111.6
393P44.2Very low25.3Very low116 Ų116126.2 Ų126.275%0.75379%0.792SS**  -118.9-173-107.239.7-21.5000115.3
394G23.1Very low25.2Very low78 Ų78126.2 Ų126.280%0.80480%0.803SS**  trans-170.3116.1167.400000115.7
395D24.3Very low25.1Very low161 Ų161122.4 Ų122.486%0.86180%0.799SS**  trans-60.1154.8172.9-77.9-47.8000114.7
396S25.6Very low25.1Very low127 Ų127128 Ų12889%0.88881%0.811SS**  -172.6137.9129.7-80.90000112.6
397A22.4Very low25Very low91 Ų91131.7 Ų131.775%0.75281%0.808SS**  trans-100.2174.5-17800000113
398V24.2Very low24.9Very low131 Ų131132.8 Ų132.879%0.79480%0.803SS**  trans113.6118.4141.3-164.90000119.3
399S22.9Very low24.9Very low98 Ų98131.7 Ų131.769%0.68581%0.808SS**  trans73.1116.8139.472.40000126
400V25.6Very low25.1Very low149 Ų149134 Ų13490%0.90381%0.814SS**  38.1129.3113.9-1700000120.8
401G23.3Very low25.1Very low72 Ų72131.6 Ų131.674%0.74282%0.817SS**  trans-177.2120.6154.500000114.3
402E22.1Very low25.2Very low202 Ų202132.6 Ų132.694%0.94482%0.817SS**  trans-57.4165.7172.9-59.7162.5126.500112.8
403G22.6Very low25.2Very low61 Ų61130.3 Ų130.363%0.62982%0.819SS**  cis165.617512.300000109.2
404T24.5Very low24.7Very low156 Ų156133.7 Ų133.796%0.95783%0.825SS**  trans79.4129.4173.570.60000116.9
405G22.6Very low24.9Very low68 Ų68134.6 Ų134.670%0.70183%0.825SS**  cis153133.9-0.500000108.4
406I24.6Very low25.1Very low182 Ų182138.4 Ų138.493%0.93383%0.827SS**  trans-162137.9151.5-91.2146.8000108.7
407R23.7Very low25.4Very low229 Ų229140.6 Ų140.686%0.86482%0.821SS**  trans-79.8152.2-164-7316199179.45.6115.4
408S23.4Very low25.8Very low103 Ų103145.4 Ų145.472%0.7283%0.825SS**  trans66.3117.1135.3640000120.9
409T23.7Very low26.2Very low142 Ų142142.3 Ų142.387%0.87181%0.813SS**  -152.897.5111.230.90000110
410E28.7Very low27.2Very low196 Ų196143.2 Ų143.292%0.91681%0.81SS**  trans-73.9120.6155.9-73176.2154.500108.1
411S26Very low27.6Very low106 Ų106139.1 Ų139.174%0.74179%0.791SS**  trans-174.3136.8145.756.30000110.3
412N26.2Very low28.6Very low163 Ų163136.1 Ų136.187%0.87276%0.76SS**  trans8541.5164.7-87.4-1.4000120.5
413A26.4Very low30.1Very low105 Ų105127.7 Ų127.787%0.86872%0.723SS**  trans-1023.1162.600000114.7
414E32.9Very low32.2Very low187 Ų187127.7 Ų127.787%0.87471%0.707SS**  trans-118.875.8-178.5-70.6-171.3153.300111.9
415A26.9Very low35.3Very low97 Ų97122.3 Ų122.380%0.80267%0.669SS**  trans-171.547.3159.100000111.6
416R29.3Very low38.7Very low241 Ų241119.1 Ų119.191%0.90964%0.635SS**  trans-109.3103.6156.6-74.3-176.6177.9179.60.2105.7K418R416-K418 PolarHBondContact O-N 3.19Å
417K32.4Very low42.1Very low174 Ų174110.4 Ų110.476%0.75759%0.591SS**  trans-47.3107.7165-82.2-177.9175.1-179.10105.9A419K417-A419 PolarHBondContact O-N 2.81Å
418K29.5Very low45.6Very low192 Ų192100.3 Ų100.384%0.83555%0.553SS**  trans-52.9118164.2-84.2179.7174.4177.50104.2R416 D420R416-K418 PolarHBondContact O-N 3.19Å; K418-D420 PolarHBondContact O-N 2.78Å
419A32.8Very low49.1Very low66 Ų6695.7 Ų95.755%0.54552%0.521SS..  trans-46.9136.3162.700000106.8T288 K417 A421T288-A419 HydrophobicContact CG2-CB 4.41Å; K417-A419 PolarHBondContact O-N 2.81Å; A419-A421 VanDerWaalsContact C-N 3.31Å; A419-A421 WeakPolarHBondContact O-CA 3.39Å; A419-A421 WeakPolarHBondContact O-CB 3.24Å; A419-A421 PolarHBondContact O-N 3.39Å
420D43.8Very low52.6Low117 Ų11789 Ų8963%0.62648%0.479SS*.  trans-53.389.8-172.5-155.34.5000110.1K418 G422K418-D420 PolarHBondContact O-N 2.78Å; D420-G422 PolarHBondContact O-N 2.97Å
421A33.5Very low55.9Low62 Ų6279.6 Ų79.651%0.51244%0.435SS..THydrogen-bonded Turntrans-83.735.3-155.300000113.4A419A419-A421 VanDerWaalsContact C-N 3.31Å; A419-A421 WeakPolarHBondContact O-CA 3.39Å; A419-A421 WeakPolarHBondContact O-CB 3.24Å; A419-A421 PolarHBondContact O-N 3.39Å
422G44.5Very low59.4Low9 Ų974.9 Ų74.99%0.09340%0.402CS..THydrogen-bonded Turntrans-170.423.4-174.700000116.5D420D420-G422 PolarHBondContact O-N 2.97Å
423T54.6Low62.8Low26 Ų2667.1 Ų67.116%0.1636%0.36CS..SBendtrans-79.8-25177.237.40000114
424H67Low66.2Low61 Ų6162.1 Ų62.128%0.28232%0.319SS..  trans-102.688.3-179.2-62.6-74.3000110.3H117 D429H117-H424 HydrophobicContact CB-CB 4Å; H117-H424 AromaticContact CD2-CD2 3.3Å; H117-H424 PolarHBondContact CD2-CD2 2.76Å; H117-H424 AromaticContact CG-CD2 3.77Å; H117-H424 AromaticContact NE2-CD2 3.69Å; H424-D429 WeakPolarHBondContact CA-OD2 3.32Å
425R88.8Confident69.3Low43 Ų4353.4 Ų53.416%0.16228%0.278CS..  trans-135123.9172.6-67.9-16767.7-160.5-6.3105.9D11 N95 D258 G427 F428 D429D11-R425 IonicContact OD1-CZ 3.25Å; D11-R425 VanDerWaalsContact OD1-CZ 3.28Å; D11-R425 IonicContact OD1-NH1 3.73Å; D11-R425 PolarHBondContact OD1-NH1 2.94Å; D11-R425 IonicContact OD1-NH2 3.33Å; D11-R425 PolarHBondContact OD1-NH2 2.91Å; D11-R425 IonicContact OD2-NH1 2.71Å; D11-R425 IonicContact OD2-NH2 2.65Å; N95-R425 VanDerWaalsContact CG-NH2 3.31Å; N95-R425 PolarHBondContact ND2-NH2 3.3Å; N95-R425 VanDerWaalsContact ND2-NH2 3.15Å; D258-R425 IonicContact OD2-CZ 2.71Å; D258-R425 IonicContact OD2-NH1 2.74Å; D258-R425 PolarHBondContact OD2-NH1 2.95Å; R425-G427 CarbonylContact O-C 3.56Å; R425-G427 PolarHBondContact O-N 2.74Å; R425-F428 HydrophobicContact CB-CB 4.4Å; R425-F428 WeakPolarHBondContact O-CA 3.41Å; R425-F428 PolarHBondContact O-N 3.45Å; R425-D429 PolarHBondContact N-OD2 3.07Å; R425-D429 PolarHBondContact O-N 3.24Å; R425-D429 VanDerWaalsContact O-OD2 3.13Å
426A94.1Very high72.7Confident0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-37.9-50.1178.700000114E39 G74 F428 D429 A430E39-A426 HydrophobicContact CG-CB 4.02Å; G74-A426 WeakPolarHBondContact CA-O 3.4Å; A426-F428 PolarHBondContact O-N 2.84Å; A426-D429 PolarHBondContact O-N 2.92Å; A426-A430 VanDerWaalsContact O-CB 3.3Å; A426-A430 WeakPolarHBondContact O-CB 3.28Å; A426-A430 PolarHBondContact O-N 3.4Å
427G96.6Very high75.9Confident0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-59.5-46.417900000113.6V93 N95 R425 Y431V93-G427 WeakPolarHBondContact CG1-O 3.41Å; N95-G427 PolarHBondContact OD1-N 3.24Å; R425-G427 CarbonylContact O-C 3.56Å; R425-G427 PolarHBondContact O-N 2.74Å; G427-Y431 PolarHBondContact O-N 3.11Å
428F96.1Very high79Confident16 Ų1629 Ų297%0.0716%0.16CC..Hα-helixtrans-72.6-35.2179.5-169.5-107.1000112.1V7 V9 R260 C262 R425 A426 Y431 M432V7-F428 HydrophobicContact CB-CE2 4.12Å; V7-F428 HydrophobicContact CG1-CD2 4.39Å; V7-F428 HydrophobicContact CG1-CE2 4.39Å; V7-F428 HydrophobicContact CG2-CE2 4.17Å; V9-F428 HydrophobicContact CG2-CB 4.5Å; V9-F428 HydrophobicContact CG2-CD2 4.37Å; R260-F428 HydrophobicContact CB-CD2 4.09Å; R260-F428 HydrophobicContact CB-CE2 4Å; R260-F428 HydrophobicContact CG-CD2 4.2Å; C262-F428 VanDerWaalsContact SG-CE2 3.59Å; C262-F428 WeakPolarHBondContact SG-CZ 3.45Å; R425-F428 HydrophobicContact CB-CB 4.4Å; R425-F428 WeakPolarHBondContact O-CA 3.41Å; R425-F428 PolarHBondContact O-N 3.45Å; A426-F428 PolarHBondContact O-N 2.84Å; F428-Y431 AromaticContact CD2-CD1 3.99Å; F428-Y431 HydrophobicContact CD2-CD1 3.99Å; F428-Y431 AromaticContact CE2-CD1 3.79Å; F428-Y431 HydrophobicContact CE2-CD1 3.79Å; F428-Y431 HydrophobicContact CE2-CE1 4.06Å; F428-Y431 HydrophobicContact CZ-CD1 4.37Å; F428-Y431 HydrophobicContact CZ-CE1 4.48Å; F428-Y431 WeakPolarHBondContact O-CB 3.48Å; F428-Y431 PolarHBondContact O-N 3.36Å; F428-M432 HydrophobicContact CD1-CE 3.83Å; F428-M432 HydrophobicContact CD1-CG 4.27Å; F428-M432 HydrophobicContact CD1-SD 4.2Å; F428-M432 HydrophobicContact CE1-CE 4Å; F428-M432 HydrophobicContact CE1-CG 3.98Å; F428-M432 HydrophobicContact CE1-SD 3.77Å; F428-M432 HydrophobicContact CZ-CG 4.39Å; F428-M432 WeakPolarHBondContact O-CG 3.13Å; F428-M432 PolarHBondContact O-N 2.85Å
429D97.1Very high82.1Confident7 Ų720.1 Ų20.14%0.03712%0.122CC..Hα-helixtrans-65-40.6173.7-70.5-50.7000111.9D37 L218 H424 R425 A426 Y431 M432 T433D37-D429 HydrophobicContact CB-CB 3.98Å; D37-D429 WeakPolarHBondContact OD2-CB 3.24Å; L218-D429 HydrophobicContact CD2-CB 3.72Å; L218-D429 WeakPolarHBondContact CD2-OD1 3.37Å; H424-D429 WeakPolarHBondContact CA-OD2 3.32Å; R425-D429 PolarHBondContact N-OD2 3.07Å; R425-D429 PolarHBondContact O-N 3.24Å; R425-D429 VanDerWaalsContact O-OD2 3.13Å; A426-D429 PolarHBondContact O-N 2.92Å; D429-Y431 VanDerWaalsContact C-N 3.32Å; D429-Y431 PolarHBondContact O-N 3.32Å; D429-M432 HydrophobicContact CB-CE 4.47Å; D429-M432 PolarHBondContact O-N 3.27Å; D429-M432 WeakPolarHBondContact OD1-CE 3.41Å; D429-T433 VanDerWaalsContact O-CB 3.31Å; D429-T433 WeakPolarHBondContact O-CB 3.39Å; D429-T433 PolarHBondContact O-N 2.93Å; D429-T433 PolarHBondContact O-OG1 3.25Å
430A98.3Very high85Confident0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-61.8-39.7170.600000111.7A35 D37 A76 A426 T433 G434A35-A430 WeakPolarHBondContact CB-O 3.36Å; D37-A430 HydrophobicContact CB-CB 4.03Å; A76-A430 HydrophobicContact CB-CB 4.11Å; A426-A430 VanDerWaalsContact O-CB 3.3Å; A426-A430 WeakPolarHBondContact O-CB 3.28Å; A426-A430 PolarHBondContact O-N 3.4Å; A430-T433 WeakPolarHBondContact O-CB 3.38Å; A430-T433 PolarHBondContact O-N 2.99Å; A430-G434 PolarHBondContact O-N 3.48Å
431Y98.1Very high87.4Confident0 Ų011.5 Ų11.50%07%0.067CC..Hα-helixtrans-61.6-50.8173.2160.5-96.9000111.9V7 Y78 V91 V93 Y222 L244 F246 G427 F428 D429 T433 G434 Y435V7-Y431 HydrophobicContact CG1-CD1 4.15Å; V7-Y431 HydrophobicContact CG1-CD2 4.05Å; V7-Y431 HydrophobicContact CG1-CE1 4.32Å; V7-Y431 HydrophobicContact CG1-CE2 4.21Å; V7-Y431 HydrophobicContact CG1-CG 4.02Å; V7-Y431 HydrophobicContact CG2-CD1 4.3Å; V7-Y431 HydrophobicContact CG2-CE1 3.68Å; V7-Y431 HydrophobicContact CG2-CE2 4.16Å; Y78-Y431 VanDerWaalsContact OH-CD2 3.22Å; Y78-Y431 WeakPolarHBondContact OH-CD2 3.48Å; Y78-Y431 WeakPolarHBondContact OH-CE2 3.43Å; Y78-Y431 PolarHBondContact OH-O 3.19Å; V91-Y431 HydrophobicContact CG1-CD2 4.08Å; V93-Y431 HydrophobicContact CG2-CD2 4.1Å; V93-Y431 HydrophobicContact CG2-CG 4.32Å; Y222-Y431 AromaticContact CE2-CE1 3.88Å; Y222-Y431 HydrophobicContact CE2-CE1 3.88Å; Y222-Y431 AromaticContact CZ-CE1 3.79Å; Y222-Y431 WeakPolarHBondContact OH-CE1 3.42Å; Y222-Y431 PolarHBondContact OH-OH 3.05Å; L244-Y431 HydrophobicContact CD1-CE2 3.66Å; L244-Y431 WeakPolarHBondContact CD1-OH 3.39Å; F246-Y431 HydrophobicContact CE1-CE2 4.18Å; F246-Y431 AromaticContact CZ-CE2 3.98Å; F246-Y431 HydrophobicContact CZ-CE2 3.98Å; G427-Y431 PolarHBondContact O-N 3.11Å; F428-Y431 AromaticContact CD2-CD1 3.99Å; F428-Y431 HydrophobicContact CD2-CD1 3.99Å; F428-Y431 AromaticContact CE2-CD1 3.79Å; F428-Y431 HydrophobicContact CE2-CD1 3.79Å; F428-Y431 HydrophobicContact CE2-CE1 4.06Å; F428-Y431 HydrophobicContact CZ-CD1 4.37Å; F428-Y431 HydrophobicContact CZ-CE1 4.48Å; F428-Y431 WeakPolarHBondContact O-CB 3.48Å; F428-Y431 PolarHBondContact O-N 3.36Å; D429-Y431 VanDerWaalsContact C-N 3.32Å; D429-Y431 PolarHBondContact O-N 3.32Å; Y431-T433 VanDerWaalsContact C-N 3.26Å; Y431-T433 PolarHBondContact O-N 3.06Å; Y431-G434 PolarHBondContact O-N 3.48Å; Y431-G434 VanDerWaalsContact O-N 3.16Å; Y431-Y435 PolarHBondContact O-N 2.66Å
432M97.5Very high90.1Very high6 Ų68.8 Ų8.83%0.034%0.044CC..Hα-helixtrans-57.3-42.8177.9-73.1-166.7-71.700111.4L218 Y222 F428 D429 Y435 I436L218-M432 HydrophobicContact CD1-CB 3.97Å; L218-M432 HydrophobicContact CD2-CB 4.44Å; L218-M432 HydrophobicContact CD2-CE 4.01Å; L218-M432 HydrophobicContact CG-CB 4.14Å; L218-M432 HydrophobicContact CG-CE 4.11Å; Y222-M432 HydrophobicContact CD1-CB 4.4Å; Y222-M432 HydrophobicContact CD1-CG 3.6Å; Y222-M432 HydrophobicContact CD1-SD 3.45Å; Y222-M432 WeakPolarHBondContact CD1-SD 3.45Å; Y222-M432 HydrophobicContact CD2-CB 4.07Å; Y222-M432 HydrophobicContact CD2-CG 3.93Å; Y222-M432 HydrophobicContact CE1-CG 3.96Å; Y222-M432 HydrophobicContact CE1-SD 4.08Å; Y222-M432 HydrophobicContact CE2-CG 4.29Å; Y222-M432 HydrophobicContact CG-CB 3.87Å; Y222-M432 HydrophobicContact CG-CG 3.57Å; Y222-M432 HydrophobicContact CG-SD 3.82Å; F428-M432 HydrophobicContact CD1-CE 3.83Å; F428-M432 HydrophobicContact CD1-CG 4.27Å; F428-M432 HydrophobicContact CD1-SD 4.2Å; F428-M432 HydrophobicContact CE1-CE 4Å; F428-M432 HydrophobicContact CE1-CG 3.98Å; F428-M432 HydrophobicContact CE1-SD 3.77Å; F428-M432 HydrophobicContact CZ-CG 4.39Å; F428-M432 WeakPolarHBondContact O-CG 3.13Å; F428-M432 PolarHBondContact O-N 2.85Å; D429-M432 HydrophobicContact CB-CE 4.47Å; D429-M432 PolarHBondContact O-N 3.27Å; D429-M432 WeakPolarHBondContact OD1-CE 3.41Å; M432-Y435 PolarHBondContact O-N 3.12Å; M432-I436 WeakPolarHBondContact O-CG1 3.35Å; M432-I436 PolarHBondContact O-N 2.81Å
433T98.5Very high92.1Very high0 Ų010.2 Ų10.20%05%0.049CC..Hα-helixtrans-56.8-51.9174.8-66.20000111.2A35 V162 L163 H164 T203 L218 D429 A430 Y431 Y435 I436 F437A35-T433 HydrophobicContact CB-CG2 4.11Å; V162-T433 HydrophobicContact CG1-CG2 3.83Å; L163-T433 VanDerWaalsContact C-CG2 3.44Å; H164-T433 HydrophobicContact CB-CG2 4.19Å; T203-T433 HydrophobicContact CG2-CG2 4.12Å; T203-T433 WeakPolarHBondContact CG2-O 3.48Å; L218-T433 WeakPolarHBondContact CD1-OG1 3.38Å; D429-T433 VanDerWaalsContact O-CB 3.31Å; D429-T433 WeakPolarHBondContact O-CB 3.39Å; D429-T433 PolarHBondContact O-N 2.93Å; D429-T433 PolarHBondContact O-OG1 3.25Å; A430-T433 WeakPolarHBondContact O-CB 3.38Å; A430-T433 PolarHBondContact O-N 2.99Å; Y431-T433 VanDerWaalsContact C-N 3.26Å; Y431-T433 PolarHBondContact O-N 3.06Å; T433-Y435 VanDerWaalsContact C-N 3.31Å; T433-Y435 PolarHBondContact O-N 2.87Å; T433-I436 PolarHBondContact O-N 3.11Å; T433-F437 PolarHBondContact O-N 3.02Å
434G98.3Very high93.4Very high0 Ų011.2 Ų11.20%05%0.053CC..Hα-helixtrans-64-34.1178.100000113.7A430 Y431 F437 A438A430-G434 PolarHBondContact O-N 3.48Å; Y431-G434 PolarHBondContact O-N 3.48Å; Y431-G434 VanDerWaalsContact O-N 3.16Å; G434-F437 PolarHBondContact O-N 2.61Å; G434-A438 PolarHBondContact O-N 3.37Å
435Y97.6Very high94Very high4 Ų412.8 Ų12.82%0.0166%0.059CC..Hα-helixtrans-65-45.4177.6-175.6-80.3000111.3Y78 Y222 C225 K226 N229 V242 L244 Y431 M432 T433 F437 A438 Y439Y78-Y435 PolarHBondContact OH-N 3.23Å; Y222-Y435 AromaticContact CD2-CD1 3.72Å; Y222-Y435 HydrophobicContact CD2-CD1 3.72Å; Y222-Y435 AromaticContact CD2-CG 3.88Å; Y222-Y435 HydrophobicContact CD2-CG 3.88Å; Y222-Y435 AromaticContact CE2-CD1 3.8Å; Y222-Y435 HydrophobicContact CE2-CD1 3.8Å; Y222-Y435 HydrophobicContact CE2-CD2 4.1Å; Y222-Y435 HydrophobicContact CE2-CE1 4.41Å; Y222-Y435 AromaticContact CE2-CG 3.64Å; Y222-Y435 HydrophobicContact CE2-CG 3.64Å; C225-Y435 HydrophobicContact CB-CD1 4.38Å; C225-Y435 HydrophobicContact CB-CE1 4.12Å; K226-Y435 HydrophobicContact CB-CE1 4.14Å; N229-Y435 WeakPolarHBondContact CB-OH 3.44Å; N229-Y435 PolarHBondContact ND2-OH 2.98Å; V242-Y435 HydrophobicContact CG1-CE2 4.4Å; L244-Y435 HydrophobicContact CD1-CD2 3.55Å; L244-Y435 HydrophobicContact CD1-CE2 3.83Å; L244-Y435 HydrophobicContact CG-CD2 4.34Å; L244-Y435 HydrophobicContact CG-CE2 4.31Å; Y431-Y435 PolarHBondContact O-N 2.66Å; M432-Y435 PolarHBondContact O-N 3.12Å; T433-Y435 VanDerWaalsContact C-N 3.31Å; T433-Y435 PolarHBondContact O-N 2.87Å; Y435-F437 VanDerWaalsContact C-N 3.25Å; Y435-F437 PolarHBondContact O-N 2.81Å; Y435-A438 PolarHBondContact O-N 3.24Å; Y435-Y439 WeakPolarHBondContact O-CB 3.48Å; Y435-Y439 PolarHBondContact O-N 3.12Å
436I97.7Very high93.1Very high0 Ų015.1 Ų15.10%07%0.071CC..Hα-helixtrans-57.5-43.6176.7-67.5160.9000110.1T203 T207 L218 A221 M432 T433 Y439 A440T203-I436 HydrophobicContact CG2-CB 4.36Å; T203-I436 HydrophobicContact CG2-CG2 4.19Å; T207-I436 HydrophobicContact CG2-CG2 3.43Å; T207-I436 VanDerWaalsContact CG2-CG2 3.43Å; L218-I436 HydrophobicContact CD1-CD1 3.66Å; A221-I436 HydrophobicContact CB-CD1 3.65Å; A221-I436 HydrophobicContact CB-CG1 4.31Å; M432-I436 WeakPolarHBondContact O-CG1 3.35Å; M432-I436 PolarHBondContact O-N 2.81Å; T433-I436 PolarHBondContact O-N 3.11Å; I436-Y439 PolarHBondContact O-N 2.88Å; I436-A440 WeakPolarHBondContact O-CB 3.43Å; I436-A440 PolarHBondContact O-N 2.84Å
437F97.7Very high91.7Very high0 Ų022 Ų220%010%0.103CC..Hα-helixtrans-65.2-47.5178.9-176.4-109.4000112.9F33 V162 Y201 T203 T433 G434 Y435 Y439 A440 C441 W463 L464F33-F437 HydrophobicContact CB-CE1 4.33Å; F33-F437 HydrophobicContact CD1-CD1 4.07Å; F33-F437 HydrophobicContact CD1-CE1 4.04Å; F33-F437 AromaticContact CD2-CD1 3.87Å; F33-F437 HydrophobicContact CD2-CD1 3.87Å; F33-F437 HydrophobicContact CD2-CE1 4.23Å; F33-F437 HydrophobicContact CE1-CD1 4.02Å; F33-F437 HydrophobicContact CE1-CE1 4.4Å; F33-F437 AromaticContact CE2-CD1 3.82Å; F33-F437 HydrophobicContact CE2-CD1 3.82Å; F33-F437 AromaticContact CG-CD1 3.99Å; F33-F437 HydrophobicContact CG-CD1 3.99Å; F33-F437 AromaticContact CG-CE1 3.94Å; F33-F437 HydrophobicContact CG-CE1 3.94Å; F33-F437 AromaticContact CZ-CD1 3.89Å; F33-F437 HydrophobicContact CZ-CD1 3.89Å; V162-F437 HydrophobicContact CB-CG 4.5Å; V162-F437 HydrophobicContact CG1-CB 3.61Å; V162-F437 HydrophobicContact CG1-CD1 4.38Å; V162-F437 HydrophobicContact CG1-CD2 4.14Å; V162-F437 HydrophobicContact CG1-CG 3.81Å; V162-F437 HydrophobicContact CG2-CB 4.36Å; V162-F437 HydrophobicContact CG2-CD1 3.57Å; V162-F437 HydrophobicContact CG2-CD2 4.24Å; V162-F437 HydrophobicContact CG2-CE1 3.72Å; V162-F437 HydrophobicContact CG2-CE2 4.39Å; V162-F437 HydrophobicContact CG2-CG 3.8Å; V162-F437 HydrophobicContact CG2-CZ 4.1Å; Y201-F437 VanDerWaalsContact CB-CE2 3.47Å; Y201-F437 AromaticContact CD1-CE2 3.6Å; Y201-F437 HydrophobicContact CD1-CE2 3.6Å; Y201-F437 HydrophobicContact CD1-CZ 4.05Å; Y201-F437 AromaticContact CD2-CE2 3.91Å; Y201-F437 HydrophobicContact CD2-CE2 3.91Å; Y201-F437 AromaticContact CD2-CZ 3.7Å; Y201-F437 HydrophobicContact CD2-CZ 3.7Å; Y201-F437 HydrophobicContact CE1-CE2 4.35Å; Y201-F437 HydrophobicContact CE1-CZ 4.44Å; Y201-F437 HydrophobicContact CE2-CZ 4.14Å; Y201-F437 HydrophobicContact CG-CD2 4.33Å; Y201-F437 AromaticContact CG-CE2 3.35Å; Y201-F437 HydrophobicContact CG-CE2 3.35Å; Y201-F437 AromaticContact CG-CZ 3.65Å; Y201-F437 HydrophobicContact CG-CZ 3.65Å; T203-F437 HydrophobicContact CG2-CB 3.91Å; T433-F437 PolarHBondContact O-N 3.02Å; G434-F437 PolarHBondContact O-N 2.61Å; Y435-F437 VanDerWaalsContact C-N 3.25Å; Y435-F437 PolarHBondContact O-N 2.81Å; F437-Y439 VanDerWaalsContact C-N 3.29Å; F437-Y439 PolarHBondContact O-N 2.85Å; F437-A440 PolarHBondContact O-N 3.25Å; F437-C441 PolarHBondContact O-N 3.01Å; F437-C441 PolarHBondContact O-SG 2.88Å; F437-W463 HydrophobicContact CE1-CB 4.14Å; F437-W463 HydrophobicContact CE1-CD2 4.25Å; F437-W463 HydrophobicContact CE1-CE3 4.08Å; F437-W463 HydrophobicContact CE1-CG 4.29Å; F437-W463 HydrophobicContact CE2-CB 4.45Å; F437-W463 HydrophobicContact CZ-CB 3.51Å; F437-W463 HydrophobicContact CZ-CG 4.1Å; F437-L464 HydrophobicContact CD2-CD1 4.25Å; F437-L464 HydrophobicContact CE2-CD1 4.05Å
438A96.1Very high90Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-58.2-43.4175.700000111.5F33 Y89 V242 G434 Y435 C441 A442F33-A438 HydrophobicContact CE1-CB 4.46Å; F33-A438 HydrophobicContact CZ-CB 4.1Å; Y89-A438 HydrophobicContact CD2-CB 4.37Å; Y89-A438 HydrophobicContact CE2-CB 3.98Å; V242-A438 HydrophobicContact CG1-CB 4.17Å; V242-A438 HydrophobicContact CG2-CB 4.48Å; G434-A438 PolarHBondContact O-N 3.37Å; Y435-A438 PolarHBondContact O-N 3.24Å; A438-C441 PolarHBondContact O-N 2.84Å; A438-A442 WeakPolarHBondContact O-CB 3.29Å; A438-A442 PolarHBondContact O-N 2.79Å
439Y95.1Very high87.6Confident6 Ų632.9 Ų32.92%0.02417%0.165CC..Hα-helixtrans-61.5-48.4176.4177.6-91000112.4L211 C225 E228 N229 P240 Y435 I436 F437 C441 A442 L443L211-Y439 HydrophobicContact CD1-CD1 4.35Å; C225-Y439 HydrophobicContact CB-CD1 3.71Å; C225-Y439 HydrophobicContact CB-CD2 4.18Å; C225-Y439 HydrophobicContact CB-CE1 4.16Å; C225-Y439 HydrophobicContact CB-CG 3.74Å; C225-Y439 WeakPolarHBondContact O-CE2 3.42Å; C225-Y439 VanDerWaalsContact SG-CD1 3.54Å; E228-Y439 HydrophobicContact CB-CE2 4.35Å; E228-Y439 VanDerWaalsContact CB-OH 3.3Å; E228-Y439 WeakPolarHBondContact CB-OH 3.21Å; E228-Y439 PolarHBondContact OE2-OH 2.89Å; N229-Y439 HydrophobicContact CB-CD2 3.99Å; N229-Y439 HydrophobicContact CB-CE2 3.93Å; P240-Y439 HydrophobicContact CB-CD2 4.33Å; P240-Y439 HydrophobicContact CB-CE2 4.06Å; P240-Y439 HydrophobicContact CG-CD2 4.04Å; P240-Y439 HydrophobicContact CG-CE2 3.29Å; Y435-Y439 WeakPolarHBondContact O-CB 3.48Å; Y435-Y439 PolarHBondContact O-N 3.12Å; I436-Y439 PolarHBondContact O-N 2.88Å; F437-Y439 VanDerWaalsContact C-N 3.29Å; F437-Y439 PolarHBondContact O-N 2.85Å; Y439-C441 VanDerWaalsContact C-N 3.31Å; Y439-C441 PolarHBondContact O-N 2.9Å; Y439-A442 PolarHBondContact O-N 3.34Å; Y439-L443 HydrophobicContact CE1-CD2 4.23Å; Y439-L443 WeakPolarHBondContact O-CB 3.4Å; Y439-L443 PolarHBondContact O-N 2.79Å
440A94.4Very high85.2Confident0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-61.6-41.1178.400000111.8V206 L211 I436 F437 L443 I444 L464V206-A440 HydrophobicContact CG1-CB 3.47Å; V206-A440 VanDerWaalsContact CG1-CB 3.47Å; L211-A440 HydrophobicContact CD1-CB 4.25Å; L211-A440 HydrophobicContact CD2-CB 4.22Å; L211-A440 HydrophobicContact CG-CB 4.48Å; I436-A440 WeakPolarHBondContact O-CB 3.43Å; I436-A440 PolarHBondContact O-N 2.84Å; F437-A440 PolarHBondContact O-N 3.25Å; A440-L443 PolarHBondContact O-N 3.48Å; A440-I444 WeakPolarHBondContact O-CB 3.5Å; A440-I444 WeakPolarHBondContact O-CG1 3.34Å; A440-I444 PolarHBondContact O-N 2.88Å; A440-L464 HydrophobicContact CB-CD1 3.94Å
441C92.8Very high82.6Confident2 Ų241.3 Ų41.31%0.01423%0.23CC..Hα-helixtrans-60.1-47.3174.6-68.50000111.9F437 A438 Y439 L443 K445F437-C441 PolarHBondContact O-N 3.01Å; F437-C441 PolarHBondContact O-SG 2.88Å; A438-C441 PolarHBondContact O-N 2.84Å; Y439-C441 VanDerWaalsContact C-N 3.31Å; Y439-C441 PolarHBondContact O-N 2.9Å; C441-L443 VanDerWaalsContact C-N 3.35Å; C441-L443 PolarHBondContact O-N 3.38Å; C441-K445 VanDerWaalsContact O-CB 3.31Å; C441-K445 WeakPolarHBondContact O-CB 2.95Å; C441-K445 WeakPolarHBondContact O-CG 3.4Å; C441-K445 PolarHBondContact O-N 3.45Å
442A90.4Very high79.8Confident4 Ų447.7 Ų47.73%0.03327%0.272CS..Hα-helixtrans-64.2-39179.700000112.2D87 P240 V242 A438 Y439D87-A442 HydrophobicContact CB-CB 4.02Å; D87-A442 WeakPolarHBondContact OD2-CB 3.37Å; P240-A442 HydrophobicContact CB-CB 4Å; V242-A442 HydrophobicContact CG2-CB 3.98Å; A438-A442 WeakPolarHBondContact O-CB 3.29Å; A438-A442 PolarHBondContact O-N 2.79Å; Y439-A442 PolarHBondContact O-N 3.34Å
443L88Confident77.1Confident39 Ų3957.1 Ų57.120%0.20432%0.316CS..Hα-helixtrans-67.6-49.1178.1-175.468.8000111.6L211 P240 Y439 A440 C441 K446 E447L211-L443 HydrophobicContact CD2-CD2 3.67Å; P240-L443 HydrophobicContact CB-CB 4.33Å; P240-L443 HydrophobicContact CG-CB 4.39Å; P240-L443 HydrophobicContact CG-CD1 3.98Å; Y439-L443 HydrophobicContact CE1-CD2 4.23Å; Y439-L443 WeakPolarHBondContact O-CB 3.4Å; Y439-L443 PolarHBondContact O-N 2.79Å; A440-L443 PolarHBondContact O-N 3.48Å; C441-L443 VanDerWaalsContact C-N 3.35Å; C441-L443 PolarHBondContact O-N 3.38Å; L443-K446 WeakPolarHBondContact O-CB 3.35Å; L443-K446 PolarHBondContact O-N 3.12Å; L443-K446 VanDerWaalsContact O-N 3.16Å; L443-E447 PolarHBondContact O-N 3.34Å
444I81.6Confident74.2Confident48 Ų4861 Ų6125%0.24636%0.356CS..Hα-helixtrans-72.5-36.5-174-69167.6000111.8E210 A440 K446 E447 A448 L464E210-I444 HydrophobicContact CB-CD1 4.15Å; A440-I444 WeakPolarHBondContact O-CB 3.5Å; A440-I444 WeakPolarHBondContact O-CG1 3.34Å; A440-I444 PolarHBondContact O-N 2.88Å; I444-K446 PolarHBondContact O-N 3.19Å; I444-K446 VanDerWaalsContact O-N 3.15Å; I444-E447 PolarHBondContact O-N 2.94Å; I444-A448 PolarHBondContact O-N 2.85Å; I444-L464 HydrophobicContact CB-CD2 3.77Å; I444-L464 HydrophobicContact CD1-CD1 4.45Å; I444-L464 HydrophobicContact CD1-CD2 3.41Å; I444-L464 VanDerWaalsContact CD1-CD2 3.41Å; I444-L464 HydrophobicContact CG1-CD2 4.12Å; I444-L464 HydrophobicContact CG2-CD2 3.93Å
445K79.3Confident71Confident94 Ų9465.8 Ų65.841%0.40940%0.395SS..Hα-helixtrans-57.7-27.3172-77.7175.4-175.7176.80112.5C441C441-K445 VanDerWaalsContact O-CB 3.31Å; C441-K445 WeakPolarHBondContact O-CB 2.95Å; C441-K445 WeakPolarHBondContact O-CG 3.4Å; C441-K445 PolarHBondContact O-N 3.45Å
446K70.6Confident67.7Low92 Ų9273 Ų7340%0.443%0.434SS..Hα-helixtrans-84.9-32.1-179.7-168175.5-161.8145.90113.7A238 G239 L443 I444 A448A238-K446 WeakPolarHBondContact O-CD 3.33Å; A238-K446 WeakPolarHBondContact O-CE 3.41Å; A238-K446 PolarHBondContact O-NZ 3.08Å; G239-K446 PolarHBondContact O-NZ 2.72Å; L443-K446 WeakPolarHBondContact O-CB 3.35Å; L443-K446 PolarHBondContact O-N 3.12Å; L443-K446 VanDerWaalsContact O-N 3.16Å; I444-K446 PolarHBondContact O-N 3.19Å; I444-K446 VanDerWaalsContact O-N 3.15Å; K446-A448 VanDerWaalsContact C-N 3.26Å
447E64.9Low64.7Low145 Ų14578 Ų7868%0.67848%0.475SS*.Hα-helixtrans-71.6-24.3175.8-68.8-176.717000112.1L443 I444 E449L443-E447 PolarHBondContact O-N 3.34Å; I444-E447 PolarHBondContact O-N 2.94Å; E447-E449 PolarHBondContact O-N 3.41Å
448A59.9Low61.6Low66 Ų6686.9 Ų86.955%0.54552%0.517SS..SBendtrans-75.1111.4166.400000109.7I444 K446I444-A448 PolarHBondContact O-N 2.85Å; K446-A448 VanDerWaalsContact C-N 3.26Å
449E45.2Very low58.8Low177 Ų17791.7 Ų91.783%0.82755%0.551SS**  trans-55.7148.7179.1-69.9-142.5161.500112.7E447 G451E447-E449 PolarHBondContact O-N 3.41Å; E449-G451 PolarHBondContact O-N 3.24Å
450P46.9Very low56.3Low127 Ų127100.3 Ų100.383%0.82559%0.591SS**  trans-66.1107.3174.427.1-30.8000109.3
451G44.8Very low54.4Low57 Ų57104.5 Ų104.559%0.58861%0.611SS**PPolyproline II helixtrans-59.1158.5163.500000110.9E449 E453E449-G451 PolarHBondContact O-N 3.24Å; G451-E453 PolarHBondContact O-N 3.23Å
452P38.9Very low53Low134 Ų134108.2 Ų108.287%0.8764%0.636SS**PPolyproline II helixtrans-57.3133.1-171.423.4-31.9000111.5G454P452-G454 PolarHBondContact O-N 2.74Å
453E39.5Very low52.5Low205 Ų205108.6 Ų108.696%0.95864%0.637SS**SBendtrans-50.2123179.5-63.7178.415900111.2G451G451-E453 PolarHBondContact O-N 3.23Å
454G38.4Very low52.3Low82 Ų82107.3 Ų107.385%0.84563%0.63SS**  trans138.733.2169.900000117.8P452P452-G454 PolarHBondContact O-N 2.74Å
455A31.1Very low52.6Low99 Ų99109 Ų10982%0.81864%0.644SS**  trans-117.7123.3166.900000110A457A455-A457 PolarHBondContact O-N 2.95Å
456D29.5Very low53.1Low157 Ų157108.5 Ų108.584%0.8465%0.649SS**  trans-42.9127.4-178.8-73.5-49.3000113.1Q458D456-Q458 PolarHBondContact O-N 2.92Å
457A34.3Very low54.2Low104 Ų104104.2 Ų104.286%0.8663%0.631SS**SBendtrans-73.959.9178.700000112.3A455A455-A457 PolarHBondContact O-N 2.95Å
458Q31.8Very low55.7Low186 Ų186100.4 Ų100.487%0.86961%0.614SS**  trans-132.426.4167-71.6-173200111.6D456 E460D456-Q458 PolarHBondContact O-N 2.92Å; Q458-E460 PolarHBondContact O-N 2.9Å
459S37.4Very low57.4Low102 Ų10298.7 Ų98.771%0.71360%0.596SS**SBendtrans-73.3120168.463.70000109.1E461S459-E461 PolarHBondContact O-N 3.18Å
460E43Very low59.9Low186 Ų18692.6 Ų92.687%0.86957%0.567SS**  trans-35.2121168-70.7176.1143.600110.1Q458 S462Q458-E460 PolarHBondContact O-N 2.9Å; E460-S462 VanDerWaalsContact C-N 3.26Å; E460-S462 PolarHBondContact O-N 3.13Å
461E54.4Low62.3Low89 Ų8986.5 Ų86.542%0.41653%0.527SS..  trans-61.889.5179.5-85.9-175139.400109.1K80 S459 W463K80-E461 IonicContact NZ-OE1 3.84Å; K80-E461 PolarHBondContact NZ-OE1 3.46Å; S459-E461 PolarHBondContact O-N 3.18Å; E461-W463 VanDerWaalsContact C-N 3.33Å; E461-W463 HydrophobicContact CB-CZ2 4.1Å; E461-W463 HydrophobicContact CG-CZ2 4.42Å; E461-W463 PolarHBondContact O-N 2.95Å; E461-W463 PolarHBondContact O-NE1 3.18Å; E461-W463 WeakPolarHBondContact OE2-CZ2 3.18Å
462S63.1Low64.7Low79 Ų7984.9 Ų84.955%0.55250%0.504SS*.  trans-76.290.5172.270.60000107.5E460 L464 P465E460-S462 VanDerWaalsContact C-N 3.26Å; E460-S462 PolarHBondContact O-N 3.13Å; S462-L464 PolarHBondContact O-N 3.22Å; S462-P465 WeakPolarHBondContact OG-CG 3.45Å
463W79.1Confident67.2Low12 Ų1278.7 Ų78.75%0.04546%0.463CS..SBendtrans-61.2116.9172.7-50.591.7000108.1F33 A160 Y201 F437 E461F33-W463 HydrophobicContact CD1-CH2 4.31Å; F33-W463 HydrophobicContact CD1-CZ3 4.26Å; A160-W463 HydrophobicContact CB-CG 4.5Å; Y201-W463 HydrophobicContact CE1-CB 4.24Å; Y201-W463 WeakPolarHBondContact CE1-O 3.25Å; Y201-W463 HydrophobicContact CE2-CB 4.15Å; Y201-W463 PolarHBondContact OH-O 2.74Å; F437-W463 HydrophobicContact CE1-CB 4.14Å; F437-W463 HydrophobicContact CE1-CD2 4.25Å; F437-W463 HydrophobicContact CE1-CE3 4.08Å; F437-W463 HydrophobicContact CE1-CG 4.29Å; F437-W463 HydrophobicContact CE2-CB 4.45Å; F437-W463 HydrophobicContact CZ-CB 3.51Å; F437-W463 HydrophobicContact CZ-CG 4.1Å; E461-W463 VanDerWaalsContact C-N 3.33Å; E461-W463 HydrophobicContact CB-CZ2 4.1Å; E461-W463 HydrophobicContact CG-CZ2 4.42Å; E461-W463 PolarHBondContact O-N 2.95Å; E461-W463 PolarHBondContact O-NE1 3.18Å; E461-W463 WeakPolarHBondContact OE2-CZ2 3.18Å
464L85.4Confident69.4Low12 Ų1270.4 Ų70.46%0.06343%0.428CS..  trans38.573.5175.7-57.4-179000115.3Y201 V206 F437 A440 I444 S462 V466 C467 I468Y201-L464 HydrophobicContact CE1-CB 4.43Å; V206-L464 HydrophobicContact CG1-CD1 4.13Å; V206-L464 HydrophobicContact CG2-CD1 4.24Å; F437-L464 HydrophobicContact CD2-CD1 4.25Å; F437-L464 HydrophobicContact CE2-CD1 4.05Å; A440-L464 HydrophobicContact CB-CD1 3.94Å; I444-L464 HydrophobicContact CB-CD2 3.77Å; I444-L464 HydrophobicContact CD1-CD1 4.45Å; I444-L464 HydrophobicContact CD1-CD2 3.41Å; I444-L464 VanDerWaalsContact CD1-CD2 3.41Å; I444-L464 HydrophobicContact CG1-CD2 4.12Å; I444-L464 HydrophobicContact CG2-CD2 3.93Å; S462-L464 PolarHBondContact O-N 3.22Å; L464-V466 PolarHBondContact O-N 3.18Å; L464-C467 HydrophobicContact CB-CB 4.02Å; L464-C467 PolarHBondContact O-N 3.26Å; L464-I468 PolarHBondContact O-N 3.05Å
465P86.9Confident71.6Confident83 Ų8369.6 Ų69.654%0.53942%0.42SS..THydrogen-bonded Turntrans-54.1-29.1-173.8-27.834.9000114.9S462 C467 I468S462-P465 WeakPolarHBondContact OG-CG 3.45Å; P465-C467 VanDerWaalsContact C-N 3.3Å; P465-C467 PolarHBondContact O-N 3.3Å; P465-I468 VanDerWaalsContact O-CG2 3.28Å; P465-I468 WeakPolarHBondContact O-CG2 3.3Å
466V90.4Very high74.2Confident85 Ų8567.9 Ų67.952%0.51539%0.394SS..THydrogen-bonded Turntrans-73.3-23.6179.3-175.50000112E210 L464 K470E210-V466 WeakPolarHBondContact OE1-CG1 3.35Å; L464-V466 PolarHBondContact O-N 3.18Å; V466-K470 VanDerWaalsContact O-CD 3.26Å; V466-K470 WeakPolarHBondContact O-CD 3.35Å; V466-K470 WeakPolarHBondContact O-CE 3.31Å; V466-K470 PolarHBondContact O-NZ 3.36Å
467C93.8Very high76.8Confident1 Ų165 Ų651%0.00739%0.392CS..THydrogen-bonded Turntrans-100.9-10.8-175.5-69.90000114.3Y201 V206 E210 L464 P465 N469 K470Y201-C467 HydrophobicContact CD1-CB 4.23Å; V206-C467 HydrophobicContact CG2-CB 4.07Å; E210-C467 WeakPolarHBondContact CG-SG 3.4Å; L464-C467 HydrophobicContact CB-CB 4.02Å; L464-C467 PolarHBondContact O-N 3.26Å; P465-C467 VanDerWaalsContact C-N 3.3Å; P465-C467 PolarHBondContact O-N 3.3Å; C467-N469 PolarHBondContact O-N 2.81Å; C467-K470 PolarHBondContact O-N 2.96Å
468I95.6Very high79.4Confident66 Ų6663.2 Ų63.234%0.33838%0.377SS..THydrogen-bonded Turntrans-57.2131.6-177.1-166.3172.9000111.2Y201 L464 P465 K470Y201-I468 HydrophobicContact CE1-CB 3.83Å; Y201-I468 HydrophobicContact CE1-CG1 4.16Å; Y201-I468 WeakPolarHBondContact OH-CG1 3.46Å; L464-I468 PolarHBondContact O-N 3.05Å; P465-I468 VanDerWaalsContact O-CG2 3.28Å; P465-I468 WeakPolarHBondContact O-CG2 3.3Å; I468-K470 PolarHBondContact O-N 3.26Å; I468-K470 VanDerWaalsContact O-N 3.14Å
469N96.6Very high82.4Confident30 Ų3055.4 Ų55.416%0.1634%0.343CS..THydrogen-bonded Turntrans57.425.7177.2-64.7-20.6000114.6G199 I200 C467 N481 V482G199-N469 WeakPolarHBondContact CA-OD1 3.4Å; I200-N469 PolarHBondContact N-OD1 3.37Å; I200-N469 WeakPolarHBondContact O-CA 3.29Å; I200-N469 PolarHBondContact O-N 2.89Å; C467-N469 PolarHBondContact O-N 2.81Å; N469-N481 CarbonylContact O-C 3.52Å; N469-N481 WeakPolarHBondContact O-CA 3.43Å; N469-V482 HydrophobicContact CB-CB 4.08Å; N469-V482 WeakPolarHBondContact CB-O 3.31Å; N469-V482 PolarHBondContact ND2-O 3.35Å; N469-V482 PolarHBondContact O-N 2.9Å
470K96.8Very high85.2Confident48 Ų4851.3 Ų51.321%0.20931%0.313CS..EExtended strand (participates in β ladder)trans-107.6108.9173.4-68.7-178.2-178.1172.60110.3D202 Y205 V466 C467 I468 P479D202-K470 WeakPolarHBondContact CB-O 3.15Å; Y205-K470 HydrophobicContact CD1-CB 4.06Å; Y205-K470 HydrophobicContact CE1-CB 3.97Å; Y205-K470 HydrophobicContact CE1-CD 3.65Å; Y205-K470 HydrophobicContact CE1-CG 4.5Å; Y205-K470 HydrophobicContact CG-CB 4.42Å; Y205-K470 WeakPolarHBondContact OH-CD 3.48Å; V466-K470 VanDerWaalsContact O-CD 3.26Å; V466-K470 WeakPolarHBondContact O-CD 3.35Å; V466-K470 WeakPolarHBondContact O-CE 3.31Å; V466-K470 PolarHBondContact O-NZ 3.36Å; C467-K470 PolarHBondContact O-N 2.96Å; I468-K470 PolarHBondContact O-N 3.26Å; I468-K470 VanDerWaalsContact O-N 3.14Å; K470-P479 HydrophobicContact CB-CB 3.96Å; K470-P479 HydrophobicContact CB-CG 4.02Å; K470-P479 HydrophobicContact CD-CG 4.06Å; K470-P479 HydrophobicContact CG-CB 4.49Å; K470-P479 HydrophobicContact CG-CG 4.04Å
471I96.9Very high87.7Confident0 Ų046.6 Ų46.60%029%0.293CS..EExtended strand (participates in β ladder)trans-97.2134.1-178.7-52.8-60.9000109.7L167 M170 I200 D202 P479 L480 V482L167-I471 HydrophobicContact CB-CG2 3.88Å; M170-I471 HydrophobicContact CE-CD1 3.64Å; M170-I471 HydrophobicContact CE-CG1 3.86Å; M170-I471 HydrophobicContact CE-CG2 4.16Å; M170-I471 HydrophobicContact SD-CD1 4.49Å; I200-I471 HydrophobicContact CB-CD1 4.34Å; I200-I471 HydrophobicContact CG2-CD1 3.65Å; D202-I471 HydrophobicContact CB-CD1 4.27Å; I471-P479 CarbonylContact O-C 3.53Å; I471-P479 VanDerWaalsContact O-CA 3.27Å; I471-P479 WeakPolarHBondContact O-CA 3.43Å; I471-P479 VanDerWaalsContact O-CB 3.23Å; I471-P479 WeakPolarHBondContact O-CB 3.5Å; I471-L480 HydrophobicContact CB-CB 4.25Å; I471-L480 PolarHBondContact N-O 2.86Å; I471-L480 PolarHBondContact O-N 3.12Å; I471-V482 HydrophobicContact CD1-CG2 4.35Å; I471-V482 HydrophobicContact CG1-CG2 3.54Å
472Y95.3Very high89.7Confident22 Ų2242.3 Ų42.39%0.08627%0.273CS..  trans-67.1141.1-178.9-174.6-95.9000111D202 K204 E208 F209D202-Y472 WeakPolarHBondContact OD2-CB 3.14Å; D202-Y472 PolarHBondContact OD2-N 3.4Å; K204-Y472 HydrophobicContact CB-CD1 4.31Å; K204-Y472 HydrophobicContact CB-CD2 4.44Å; K204-Y472 HydrophobicContact CB-CG 4.01Å; K204-Y472 HydrophobicContact CD-CD1 3.56Å; K204-Y472 HydrophobicContact CD-CE1 3.66Å; K204-Y472 HydrophobicContact CD-CG 4.1Å; K204-Y472 HydrophobicContact CG-CD1 3.78Å; K204-Y472 HydrophobicContact CG-CD2 4.05Å; K204-Y472 HydrophobicContact CG-CE1 3.97Å; K204-Y472 HydrophobicContact CG-CE2 4.23Å; K204-Y472 HydrophobicContact CG-CG 3.79Å; E208-Y472 HydrophobicContact CB-CE2 4.35Å; E208-Y472 HydrophobicContact CG-CE2 4.46Å; E208-Y472 WeakPolarHBondContact OE2-CE2 3.49Å; E208-Y472 PolarHBondContact OE2-OH 2.91Å; F209-Y472 HydrophobicContact CE2-CD2 4.15Å; F209-Y472 HydrophobicContact CE2-CE2 4.04Å
473L91.9Very high91.1Very high4 Ų442.5 Ų42.52%0.02127%0.271CS..  trans-126.7105.1175.5-68.8-178.6000109.9I54 L167 G475 K476 L480I54-L473 HydrophobicContact CD1-CD1 3.68Å; I54-L473 HydrophobicContact CG1-CD1 4.04Å; I54-L473 HydrophobicContact CG2-CD1 4.38Å; L167-L473 HydrophobicContact CD2-CD2 3.77Å; L473-G475 PolarHBondContact O-N 3.26Å; L473-K476 HydrophobicContact CB-CB 3.9Å; L473-K476 HydrophobicContact CB-CD 4.09Å; L473-K476 HydrophobicContact CB-CG 4.38Å; L473-K476 HydrophobicContact CD1-CD 3.76Å; L473-K476 PolarHBondContact O-N 2.97Å; L473-L480 HydrophobicContact CD1-CB 3.93Å; L473-L480 HydrophobicContact CD2-CB 4.18Å; L473-L480 HydrophobicContact CG-CB 4.05Å
474S86.4Confident91.7Very high31 Ų3146.6 Ų46.622%0.21729%0.289CS..THydrogen-bonded Turntrans-52.3130.4175.8-63.30000111.4R57 K476R57-S474 PolarHBondContact NH1-O 2.97Å; R57-S474 PolarHBondContact NH2-O 2.82Å; S474-K476 VanDerWaalsContact C-N 3.32Å; S474-K476 PolarHBondContact O-N 3.22Å
475G83.4Confident91.8Very high66 Ų6648.5 Ų48.568%0.6830%0.303SS*.THydrogen-bonded Turntrans76.89.1-17900000115.4L473L473-G475 PolarHBondContact O-N 3.26Å
476K85.9Confident91.7Very high63 Ų6351 Ų5127%0.27432%0.317SS..  trans-123.9143.9177.6-69.5-177.5160.6-71.10111.5E52 I54 L473 S474E52-K476 WeakPolarHBondContact O-CE 3.42Å; E52-K476 PolarHBondContact O-NZ 3.18Å; I54-K476 HydrophobicContact CD1-CD 4.2Å; I54-K476 HydrophobicContact CG1-CD 3.84Å; I54-K476 VanDerWaalsContact CG1-CE 3.48Å; L473-K476 HydrophobicContact CB-CB 3.9Å; L473-K476 HydrophobicContact CB-CD 4.09Å; L473-K476 HydrophobicContact CB-CG 4.38Å; L473-K476 HydrophobicContact CD1-CD 3.76Å; L473-K476 PolarHBondContact O-N 2.97Å; S474-K476 VanDerWaalsContact C-N 3.32Å; S474-K476 PolarHBondContact O-N 3.22Å
477A84.3Confident91.4Very high97 Ų9755.9 Ų55.980%0.80233%0.332SS*.SBendtrans-78-21.6-179.800000113.6
478A90Very high91.1Very high65 Ų6556.2 Ų56.254%0.53733%0.334SS..SBendtrans-114.6143.8-179.700000110.8
479P94.4Very high90.8Very high23 Ų2361 Ų6115%0.14935%0.353CS..PPolyproline II helixtrans-73.7163.7175.332.4-35000111.6Y205 K470 I471Y205-P479 HydrophobicContact CD2-CB 3.84Å; Y205-P479 HydrophobicContact CD2-CG 4.27Å; Y205-P479 HydrophobicContact CE2-CB 3.72Å; Y205-P479 HydrophobicContact CE2-CG 3.61Å; K470-P479 HydrophobicContact CB-CB 3.96Å; K470-P479 HydrophobicContact CB-CG 4.02Å; K470-P479 HydrophobicContact CD-CG 4.06Å; K470-P479 HydrophobicContact CG-CB 4.49Å; K470-P479 HydrophobicContact CG-CG 4.04Å; I471-P479 CarbonylContact O-C 3.53Å; I471-P479 VanDerWaalsContact O-CA 3.27Å; I471-P479 WeakPolarHBondContact O-CA 3.43Å; I471-P479 VanDerWaalsContact O-CB 3.23Å; I471-P479 WeakPolarHBondContact O-CB 3.5Å
480L95.6Very high90.7Very high16 Ų1660.5 Ų60.58%0.08435%0.352CS..EExtended strand (participates in β ladder)trans-77.9123.3162.317666.2000108.8I54 L167 L185 T189 I471 L473I54-L480 HydrophobicContact CG2-CD1 4.32Å; L167-L480 HydrophobicContact CD1-CD2 3.8Å; L167-L480 HydrophobicContact CD2-CD2 4.46Å; L185-L480 HydrophobicContact CD1-CD2 4.17Å; L185-L480 HydrophobicContact CD2-CD1 4.2Å; T189-L480 HydrophobicContact CG2-CD1 4.41Å; T189-L480 HydrophobicContact CG2-CD2 4.29Å; I471-L480 HydrophobicContact CB-CB 4.25Å; I471-L480 PolarHBondContact N-O 2.86Å; I471-L480 PolarHBondContact O-N 3.12Å; L473-L480 HydrophobicContact CD1-CB 3.93Å; L473-L480 HydrophobicContact CD2-CB 4.18Å; L473-L480 HydrophobicContact CG-CB 4.05Å
481N95.9Very high90.5Very high86 Ų8659.2 Ų59.246%0.4635%0.349SS..EExtended strand (participates in β ladder)trans-87.3119174.5-62.2-71.5000110N469 V483N469-N481 CarbonylContact O-C 3.52Å; N469-N481 WeakPolarHBondContact O-CA 3.43Å; N481-V483 HydrophobicContact CB-CG2 4.48Å; N481-V483 PolarHBondContact O-N 3.19Å
482V95.6Very high90.3Very high0 Ų067.9 Ų67.90%039%0.386CS..  trans-87.188.4176.7-179.80000108.8L192 I200 N469 I471L192-V482 HydrophobicContact CB-CG1 3.63Å; L192-V482 HydrophobicContact CD1-CG1 4.44Å; I200-V482 HydrophobicContact CD1-CG1 4.1Å; N469-V482 HydrophobicContact CB-CB 4.08Å; N469-V482 WeakPolarHBondContact CB-O 3.31Å; N469-V482 PolarHBondContact ND2-O 3.35Å; N469-V482 PolarHBondContact O-N 2.9Å; I471-V482 HydrophobicContact CD1-CG2 4.35Å; I471-V482 HydrophobicContact CG1-CG2 3.54Å
483V92.4Very high90.1Very high82 Ų8267.9 Ų67.950%0.49739%0.391SS..  trans-136.7145.3179.8-64.50000110.5N481 S485N481-V483 HydrophobicContact CB-CG2 4.48Å; N481-V483 PolarHBondContact O-N 3.19Å; V483-S485 PolarHBondContact O-N 2.8Å
484K91.5Very high90.2Very high98 Ų9867.7 Ų67.743%0.42639%0.39SS..  trans-79.9111.8166.4-177171.6-177-178.60109.3A190 S193 E194 S490A190-K484 HydrophobicContact CB-CB 4.12Å; A190-K484 HydrophobicContact CB-CD 4.44Å; A190-K484 HydrophobicContact CB-CG 3.92Å; S193-K484 WeakPolarHBondContact OG-CB 3.27Å; S193-K484 PolarHBondContact OG-N 3.44Å; E194-K484 HydrophobicContact CG-CD 4.33Å; E194-K484 WeakPolarHBondContact OE1-CD 3.47Å; E194-K484 WeakPolarHBondContact OE1-CE 3.43Å; E194-K484 IonicContact OE1-NZ 3.77Å; E194-K484 PolarHBondContact OE1-NZ 3.2Å; K484-S490 PolarHBondContact NZ-OG 3.05Å
485S87.9Confident90.5Very high53 Ų5370 Ų7037%0.37140%0.402SS..  trans-76.5160.1172.781.20000111.1V483 F487 A488V483-S485 PolarHBondContact O-N 2.8Å; S485-F487 PolarHBondContact O-N 2.86Å; S485-F487 PolarHBondContact OG-N 3.41Å; S485-A488 PolarHBondContact O-N 2.72Å; S485-A488 VanDerWaalsContact OG-CB 3.25Å; S485-A488 WeakPolarHBondContact OG-CB 3.38Å; S485-A488 PolarHBondContact OG-N 3.04Å
486T85.6Confident90.8Very high134 Ų13473.1 Ų73.182%0.82240%0.399SS*.THydrogen-bonded Turntrans-60.6-23.4175.649.40000113.5
487F83.7Confident91Very high188 Ų18871.1 Ų71.183%0.82539%0.391SS*.THydrogen-bonded Turntrans-99.6-15.6-178.9-56.3-75.9000113.1S485S485-F487 PolarHBondContact O-N 2.86Å; S485-F487 PolarHBondContact OG-N 3.41Å
488A86.9Confident91.2Very high8 Ų867.5 Ų67.57%0.06636%0.357CS..PPolyproline II helixtrans-84.6126.9178.200000110.5A190 S485A190-A488 HydrophobicContact CB-CB 4.21Å; S485-A488 PolarHBondContact O-N 2.72Å; S485-A488 VanDerWaalsContact OG-CB 3.25Å; S485-A488 WeakPolarHBondContact OG-CB 3.38Å; S485-A488 PolarHBondContact OG-N 3.04Å
489K90.6Very high91.2Very high168 Ų16871 Ų7173%0.7336%0.363SS*.PPolyproline II helixtrans-98.8136.8172.2-63.9-176.5-179.4-179.50108.8T187T187-K489 WeakPolarHBondContact CG2-O 3.32Å
490S93.3Very high90.7Very high18 Ų1873.2 Ų73.213%0.12637%0.372CS..PPolyproline II helixtrans-64.2153.6170.6-42.80000110.5D191 E194 K484D191-S490 WeakPolarHBondContact OD1-CA 3.34Å; D191-S490 WeakPolarHBondContact OD1-CB 3.41Å; E194-S490 VanDerWaalsContact CD-OG 3.3Å; E194-S490 PolarHBondContact OE1-OG 3.26Å; E194-S490 WeakPolarHBondContact OE2-CB 3.15Å; E194-S490 PolarHBondContact OE2-OG 3.11Å; K484-S490 PolarHBondContact NZ-OG 3.05Å
491S93.9Very high90.2Very high21 Ų2173.1 Ų73.115%0.14737%0.372CS..PPolyproline II helixtrans-68.3149.8179.272.10000111.7Y174 D191 A493 H494 V495Y174-S491 PolarHBondContact OH-OG 3.5Å; D191-S491 PolarHBondContact OD1-N 3.47Å; D191-S491 WeakPolarHBondContact OD2-CB 3.39Å; D191-S491 PolarHBondContact OD2-N 3.5Å; D191-S491 PolarHBondContact OD2-OG 3.22Å; S491-A493 VanDerWaalsContact C-N 3.3Å; S491-A493 PolarHBondContact O-N 3.44Å; S491-H494 WeakPolarHBondContact O-CB 3.28Å; S491-H494 PolarHBondContact O-N 3.01Å; S491-H494 VanDerWaalsContact O-N 3.15Å; S491-H494 WeakPolarHBondContact OG-CB 3.19Å; S491-H494 PolarHBondContact OG-N 3.23Å; S491-V495 WeakPolarHBondContact O-CG2 3.49Å; S491-V495 PolarHBondContact O-N 3.47Å
492K91.9Very high89.8Confident183 Ų18372.1 Ų72.180%0.79636%0.362SS*.Hα-helixtrans-58.9-42.3-179.2-68.6-177.1179.9179.30112.2H494 V495 Q496K492-H494 VanDerWaalsContact C-N 3.32Å; K492-V495 PolarHBondContact O-N 3.03Å; K492-Q496 WeakPolarHBondContact O-CG 3.35Å; K492-Q496 PolarHBondContact O-N 3.47Å; K492-Q496 VanDerWaalsContact O-N 3.16Å
493A91.4Very high88.5Confident22 Ų2274.2 Ų74.218%0.18238%0.383CS..Hα-helixtrans-64.3-3917800000111.5A179 S491 K497A179-A493 HydrophobicContact CB-CB 3.98Å; S491-A493 VanDerWaalsContact C-N 3.3Å; S491-A493 PolarHBondContact O-N 3.44Å; A493-K497 WeakPolarHBondContact O-CB 3.39Å; A493-K497 WeakPolarHBondContact O-CG 3.16Å; A493-K497 PolarHBondContact O-N 3.4Å
494H93.6Very high86.6Confident0 Ų079 Ų790%040%0.4CS..Hα-helixtrans-62-50.3174170.985.5000111.7Y178 D191 E194 S491 K492 Q496 K497 M498Y178-H494 HydrophobicContact CE1-CB 4.05Å; Y178-H494 AromaticContact CE1-ND1 3.63Å; Y178-H494 AromaticContact CZ-ND1 3.57Å; Y178-H494 WeakPolarHBondContact OH-CA 3.42Å; Y178-H494 PolarHBondContact OH-ND1 2.71Å; Y178-H494 PolarHBondContact OH-O 2.85Å; D191-H494 HydrophobicContact CB-CB 4.26Å; D191-H494 PolarHBondContact O-CE1 2.87Å; D191-H494 IonicContact OD1-CD2 3.97Å; D191-H494 IonicContact OD1-CG 2.78Å; E194-H494 WeakPolarHBondContact CB-NE2 3.46Å; E194-H494 IonicContact OE2-CD2 3.8Å; E194-H494 PolarHBondContact OE2-CD2 2.91Å; E194-H494 IonicContact OE2-CE1 3.28Å; E194-H494 IonicContact OE2-NE2 2.83Å; E194-H494 PolarHBondContact OE2-NE2 2.87Å; S491-H494 WeakPolarHBondContact O-CB 3.28Å; S491-H494 PolarHBondContact O-N 3.01Å; S491-H494 VanDerWaalsContact O-N 3.15Å; S491-H494 WeakPolarHBondContact OG-CB 3.19Å; S491-H494 PolarHBondContact OG-N 3.23Å; K492-H494 VanDerWaalsContact C-N 3.32Å; H494-Q496 VanDerWaalsContact C-N 3.31Å; H494-Q496 PolarHBondContact O-N 2.88Å; H494-K497 PolarHBondContact O-N 3.28Å; H494-K497 VanDerWaalsContact O-N 3.09Å; H494-M498 WeakPolarHBondContact CE1-CG 3.36Å; H494-M498 WeakPolarHBondContact NE2-CG 3.24Å; H494-M498 WeakPolarHBondContact O-CG 3.36Å; H494-M498 PolarHBondContact O-N 3.5Å
495V92.3Very high84.1Confident78 Ų7883.5 Ų83.547%0.47342%0.42SS..Hα-helixtrans-55.5-46.7179.8174.30000111.5S491 K492 M498 E499S491-V495 WeakPolarHBondContact O-CG2 3.49Å; S491-V495 PolarHBondContact O-N 3.47Å; K492-V495 PolarHBondContact O-N 3.03Å; V495-M498 PolarHBondContact O-N 2.85Å; V495-E499 PolarHBondContact O-N 3.08Å; V495-E499 VanDerWaalsContact O-N 3.12Å
496Q90.1Very high81.5Confident133 Ų13393.6 Ų93.662%0.62146%0.464SS*.Hα-helixtrans-63.1-42177.5-70.1173.2-1400112.5K492 H494 M500K492-Q496 WeakPolarHBondContact O-CG 3.35Å; K492-Q496 PolarHBondContact O-N 3.47Å; K492-Q496 VanDerWaalsContact O-N 3.16Å; H494-Q496 VanDerWaalsContact C-N 3.31Å; H494-Q496 PolarHBondContact O-N 2.88Å; Q496-M500 PolarHBondContact O-N 3.29Å
497K89.6Confident81.3Confident21 Ų2191.6 Ų91.69%0.09145%0.446CS..Hα-helixtrans-66.1-45.9177.1-80.7-176.9173.3-117.80111.5N136 Y178 A493 H494 E499 M500 V501N136-K497 PolarHBondContact OD1-NZ 2.99Å; Y178-K497 HydrophobicContact CD2-CD 3.77Å; Y178-K497 HydrophobicContact CE1-CD 4.39Å; Y178-K497 HydrophobicContact CE2-CB 3.84Å; Y178-K497 HydrophobicContact CE2-CD 3.52Å; Y178-K497 HydrophobicContact CE2-CG 4.31Å; Y178-K497 HydrophobicContact CG-CD 4.28Å; Y178-K497 WeakPolarHBondContact O-CE 3.03Å; Y178-K497 PolarHBondContact O-NZ 3Å; A493-K497 WeakPolarHBondContact O-CB 3.39Å; A493-K497 WeakPolarHBondContact O-CG 3.16Å; A493-K497 PolarHBondContact O-N 3.4Å; H494-K497 PolarHBondContact O-N 3.28Å; H494-K497 VanDerWaalsContact O-N 3.09Å; K497-E499 VanDerWaalsContact C-N 3.26Å; K497-E499 PolarHBondContact O-N 3.2Å; K497-M500 CarbonylContact O-C 3.6Å; K497-M500 WeakPolarHBondContact O-CA 3.47Å; K497-M500 WeakPolarHBondContact O-CB 3.42Å; K497-M500 PolarHBondContact O-N 2.88Å; K497-V501 WeakPolarHBondContact O-CB 3.24Å; K497-V501 WeakPolarHBondContact O-CG2 3.16Å; K497-V501 PolarHBondContact O-N 3.37Å
498M90.1Very high81.2Confident21 Ų2186.5 Ų86.510%0.10343%0.426CS..Hα-helixtrans-62.6-34.8-179.9-65.4-47.6-63.500112.4Y178 M195 H494 V495 M500 V501 W502Y178-M498 PolarHBondContact OH-SD 2.63Å; M195-M498 HydrophobicContact CG-SD 4.37Å; H494-M498 WeakPolarHBondContact CE1-CG 3.36Å; H494-M498 WeakPolarHBondContact NE2-CG 3.24Å; H494-M498 WeakPolarHBondContact O-CG 3.36Å; H494-M498 PolarHBondContact O-N 3.5Å; V495-M498 PolarHBondContact O-N 2.85Å; M498-M500 VanDerWaalsContact C-N 3.35Å; M498-V501 PolarHBondContact O-N 2.96Å; M498-W502 HydrophobicContact CE-CD2 3.42Å; M498-W502 VanDerWaalsContact CE-CD2 3.42Å; M498-W502 HydrophobicContact CE-CE3 3.12Å; M498-W502 HydrophobicContact CE-CG 4.35Å; M498-W502 HydrophobicContact CE-CH2 3.22Å; M498-W502 HydrophobicContact CE-CZ2 3.51Å; M498-W502 HydrophobicContact CE-CZ3 3.03Å; M498-W502 PolarHBondContact O-N 3.47Å
499E88.4Confident80.8Confident138 Ų13890.8 Ų90.865%0.64545%0.446SS*.Hα-helixtrans-62.9-39.2170.9-173.3174.1-163.800112.2V495 K497 G503V495-E499 PolarHBondContact O-N 3.08Å; V495-E499 VanDerWaalsContact O-N 3.12Å; K497-E499 VanDerWaalsContact C-N 3.26Å; K497-E499 PolarHBondContact O-N 3.2Å; E499-G503 WeakPolarHBondContact O-CA 3.32Å; E499-G503 PolarHBondContact O-N 2.9Å
500M84.6Confident80.3Confident70 Ų7086.3 Ų86.335%0.34543%0.43SS..Hα-helixtrans-71.7-38.1174.7-178-155.3-56.500113.1D142 Q496 K497 M498D142-M500 VanDerWaalsContact CG-SD 3.54Å; D142-M500 WeakPolarHBondContact OD2-CE 3.14Å; Q496-M500 PolarHBondContact O-N 3.29Å; K497-M500 CarbonylContact O-C 3.6Å; K497-M500 WeakPolarHBondContact O-CA 3.47Å; K497-M500 WeakPolarHBondContact O-CB 3.42Å; K497-M500 PolarHBondContact O-N 2.88Å; M498-M500 VanDerWaalsContact C-N 3.35Å
501V85.9Confident79.4Confident14 Ų1490.6 Ų90.69%0.08545%0.449CS..Hα-helixtrans-75.5-40-175.5177.20000111T152 L155 R156 K497 M498T152-V501 HydrophobicContact CG2-CG2 3.71Å; L155-V501 HydrophobicContact CB-CG1 3.98Å; R156-V501 HydrophobicContact CB-CG1 4.5Å; R156-V501 HydrophobicContact CG-CG1 3.58Å; K497-V501 WeakPolarHBondContact O-CB 3.24Å; K497-V501 WeakPolarHBondContact O-CG2 3.16Å; K497-V501 PolarHBondContact O-N 3.37Å; M498-V501 PolarHBondContact O-N 2.96Å
502W85.9Confident78.5Confident64 Ų6495.2 Ų95.224%0.24247%0.469CS..Hα-helixtrans-126.5-8.9-173.2-65.7-18.5000115.2L155 R158 E194 P197 M498L155-W502 PolarHBondContact O-NE1 2.91Å; L155-W502 VanDerWaalsContact O-NE1 3.08Å; R158-W502 HydrophobicContact CG-CZ2 3.87Å; R158-W502 VanDerWaalsContact NH2-CG 3.26Å; E194-W502 WeakPolarHBondContact O-CH2 3.43Å; E194-W502 WeakPolarHBondContact O-CZ3 3.31Å; P197-W502 HydrophobicContact CB-CH2 4.4Å; P197-W502 HydrophobicContact CG-CH2 3.72Å; P197-W502 HydrophobicContact CG-CZ2 4.08Å; M498-W502 HydrophobicContact CE-CD2 3.42Å; M498-W502 VanDerWaalsContact CE-CD2 3.42Å; M498-W502 HydrophobicContact CE-CE3 3.12Å; M498-W502 HydrophobicContact CE-CG 4.35Å; M498-W502 HydrophobicContact CE-CH2 3.22Å; M498-W502 HydrophobicContact CE-CZ2 3.51Å; M498-W502 HydrophobicContact CE-CZ3 3.03Å; M498-W502 PolarHBondContact O-N 3.47Å
503G67.9Low77.5Confident44 Ų4488.9 Ų88.945%0.45445%0.445SS..  trans-83-10.7-176.200000114.9E499 K505E499-G503 WeakPolarHBondContact O-CA 3.32Å; E499-G503 PolarHBondContact O-N 2.9Å; G503-K505 VanDerWaalsContact C-N 3.29Å; G503-K505 PolarHBondContact O-N 3.49Å
504Q52.8Low76.5Confident182 Ų18294.1 Ų94.185%0.8547%0.466SS*.SBendtrans-70.992.4162-76.4-171.9-12.700108.7
505K39.3Very low75Confident194 Ų194101.9 Ų101.984%0.84350%0.504SS*.  trans-56.8142.9166.2-79-179174178.90109.9G503G503-K505 VanDerWaalsContact C-N 3.29Å; G503-K505 PolarHBondContact O-N 3.49Å
506M33.4Very low73.5Confident264 Ų264104.1 Ų104.1100%1.351%0.507SS*.  trans-40.20161.7-74.6176.7167.600113.1

Retrieved 506 of 506 residues in 1058.8 ms (Link to these results)

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